NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7780 8.3544 109.7330 45.5457 0.0000 175.0656 *20 S 4.6610 8.6788 116.0854 57.6684 64.2594 172.0794 21 C 5.2083 7.7465 111.9665 53.8675 45.2359 173.6345 22 D 4.5919 8.6387 116.5901 53.9093 43.5651 175.2474 23 S 4.4104 9.6998 125.2612 60.1779 62.9688 175.2763 24 I 4.2304 8.2291 118.6686 61.9795 37.4347 182.0680 25 R 4.1846 7.9540 122.1513 56.6170 29.9153 179.6201 26 E 4.2939 8.7471 118.4365 58.4653 30.3492 178.6725 27 D 4.5991 8.2674 115.3087 55.7527 40.0889 181.5374 28 L 4.8955 7.5106 117.1942 51.8727 44.5754 174.2827 29 P 4.7689 0.0000 0.0000 62.1535 33.0418 175.6088 30 R 4.3805 8.4913 117.3696 56.4202 30.2332 176.9718 31 C 4.6061 8.8112 120.2188 57.3394 42.0867 172.9182 32 E 4.7950 9.3269 123.3952 54.8247 31.9104 174.7425 33 L 5.2137 8.5540 125.4903 53.3553 44.4776 175.1408 34 W 5.2469 9.8574 126.1269 54.8200 33.6434 174.3815 35 L 5.0494 8.5842 120.9796 52.9141 44.2927 174.9524 36 E 4.7423 8.8305 125.0245 54.2850 31.9067 174.5575 37 F 4.8088 8.5459 127.3267 56.7116 39.9578 175.6193 38 V 4.5302 9.1135 123.7863 61.1911 35.0123 174.1945 39 F 5.3926 10.1436 129.4538 55.9851 39.7216 174.0781 40 D 4.8573 8.2544 117.5159 51.6906 40.7630 177.2277 41 Y 4.5147 7.1016 123.8558 56.4868 39.2051 173.5843 42 N 5.1741 6.7185 123.0403 51.9509 37.1190 177.8483 *44 E 4.2917 9.2854 117.1966 54.8752 31.4624 174.7740 45 Y 3.4603 7.3178 114.9785 58.3400 36.3412 169.6693 46 A 4.6697 7.4027 119.4270 49.9330 22.4555 176.1306 47 D 4.5493 8.6453 120.4663 54.6417 41.7380 176.0618 48 A 4.8161 9.2038 128.9064 51.7578 20.3830 177.3779 49 F 3.9963 9.0285 124.3458 62.1845 39.4187 174.7000 50 N 5.0003 8.2273 117.5082 51.0695 39.6811 172.4186 51 P 4.7662 0.0000 0.0000 62.5481 31.9410 176.1881 52 Q 3.9888 7.7861 119.3050 59.3455 28.6581 177.0801 53 V 3.3733 6.5435 116.2055 61.9862 32.1582 175.5807 54 K 4.3989 8.7513 126.5449 57.6333 34.0015 176.1884 55 S 4.9277 7.4768 112.5978 57.3463 66.6917 173.5457 56 V 4.7241 8.9997 113.0931 59.6063 35.8327 174.8222 57 D 5.1731 9.2323 124.5448 52.7716 43.5208 175.1447 58 V 4.7510 8.6349 125.1342 61.1292 33.6199 174.4010 59 L 4.6643 9.0388 129.3534 53.4509 43.3065 175.7244 60 V 4.3869 7.9812 124.8460 60.9154 33.6771 174.2650 61 F 5.2533 9.1717 127.0545 55.6529 42.1344 175.7963 62 D 4.9957 8.9777 122.8538 52.1753 40.8586 177.2042 63 S 4.0571 8.3862 112.8378 60.9375 62.7795 174.5872 64 D 4.5765 8.2906 119.5046 53.7853 40.9270 176.4807 65 D 4.5121 8.2368 118.3992 54.7591 39.1015 173.3203 66 K 4.8494 7.8851 119.3312 55.0701 33.3692 175.8708 67 L 3.6876 9.1344 126.0284 56.1890 42.4683 176.8862 68 L 4.3874 8.8676 127.8083 56.0934 42.6341 176.4834 69 F 4.8138 6.8226 110.8151 56.4815 41.2788 172.0525 70 T 5.0378 8.5709 114.9670 61.7924 71.6874 174.0094 71 K 4.4510 9.2460 126.3274 54.9266 34.1236 175.4551 72 S 5.0143 8.6219 121.4007 56.8841 63.2402 173.3833 73 V 4.5153 8.7266 127.6412 60.8642 35.0981 174.8626 74 K 4.5064 8.6600 126.9989 55.8258 33.0122 178.0353 75 V 3.7749 8.3543 123.2386 66.1331 31.5195 178.0747 76 A 3.9940 8.0626 120.9297 54.5852 18.2677 177.7261 77 A 4.4067 8.2380 117.0493 52.6651 19.6033 177.4034 78 L 4.5069 7.8452 117.4874 53.4726 42.8123 176.6428 79 V 3.8780 8.7911 123.5459 64.0877 31.6959 176.6973 80 G 3.8579 9.5679 114.5233 45.9157 0.0000 174.1597 81 G 4.0935 9.4574 106.9241 45.5548 0.0000 174.7138 82 N 4.8526 7.8627 112.7122 53.0622 40.1950 173.6679 83 R 5.6653 8.1356 118.4569 53.6395 33.4253 174.0014 *85 S 3.5002 8.2847 111.5588 58.4711 62.9388 173.4142 86 L 4.6254 7.9961 124.3325 54.3661 43.2759 178.3514 87 T 3.6080 7.0865 116.5977 66.7979 68.2674 175.0789 88 D 4.5330 7.6705 116.7459 54.8197 41.4336 177.0889 89 E 4.0470 7.6376 118.0384 57.1121 30.2425 176.4477 90 L 4.6134 7.3658 117.2497 52.5593 44.8618 175.9408 91 D 4.4316 8.4486 121.7892 52.8723 42.3576 175.6372 92 F 4.5776 8.1323 120.6164 56.4341 39.4489 176.1944 93 G 3.9623 7.7007 111.8538 45.2312 0.0000 170.5412 94 S 5.1149 7.5425 115.3511 56.9882 64.8815 173.6711 95 Y 5.0608 9.3308 120.8371 56.2655 43.0574 174.1072 96 K 5.0923 9.0166 119.4135 54.7092 35.7489 175.5903 97 V 4.8916 8.8607 124.7279 60.9624 34.3065 173.7742 98 L 5.0971 9.1358 129.9968 53.5895 44.9488 175.0693 99 T 5.1553 8.4681 121.6247 61.7085 72.8543 173.0159 100 V 4.5814 8.6096 124.6880 61.1092 34.4695 174.3032 101 G 4.2081 9.0900 115.9529 45.1259 0.0000 173.5706 102 S 3.7537 8.4880 119.4205 59.3296 60.7196 174.5434 103 L 4.0871 7.3441 121.8220 54.9348 41.2910 176.2719 104 S 4.6979 8.4266 121.5825 56.6318 64.6317 175.0277 105 D 4.5078 8.5574 119.3869 55.6442 39.3069 177.2559 106 R 4.1418 7.9449 117.9793 56.5970 30.7154 175.3699 107 F 5.5067 7.8854 115.9861 55.6382 42.8100 174.6681 108 R 4.6680 9.3968 121.1749 54.7457 33.5716 173.4113 109 L 5.0981 8.7213 128.8472 54.4818 43.3484 175.4712 110 S 4.7420 8.8734 120.5071 57.8328 66.8423 173.1171 111 D 5.1080 9.0634 120.8703 52.3512 41.0223 177.2579 112 N 4.4589 9.0367 115.7398 54.7024 37.1546 175.5137 113 A 4.3731 8.4569 121.0969 52.0818 19.6874 177.7866 114 G 3.9971 8.4533 104.2945 45.0253 0.0000 173.2505 115 N 4.8597 8.0128 116.6484 50.9781 40.1940 174.6839 116 K 4.0950 8.6114 120.3967 56.7225 32.7007 176.8021 117 L 3.9708 8.5109 122.5340 54.9645 42.0821 176.9041 118 V 4.1869 8.9591 124.2628 60.0988 31.8320 173.0071 119 P 4.5400 0.0000 0.0000 64.0571 31.5239 176.8128 120 G 4.0982 9.4378 112.6652 45.4397 0.0000 173.5598 121 T 4.4031 7.5440 112.2885 65.3347 70.9175 174.7828 122 T 4.1387 8.2683 118.9921 64.0582 69.1955 174.2350 123 T 4.8455 8.6803 116.5941 59.9596 70.8465 175.4206 124 L 2.7626 7.9858 124.6041 58.2091 41.8020 179.5404 125 Q 3.2226 7.3326 114.6867 57.7431 28.8337 177.2957 126 Q 4.3403 7.7990 116.2508 56.5633 29.5521 175.6816 127 V 4.5206 7.8243 119.3432 62.7723 32.2443 175.3695 128 I 5.1163 9.0234 120.0481 59.2782 41.6974 174.0057 129 V 4.9666 8.9991 123.7218 61.5002 33.9710 174.3729 130 S 5.3976 9.2190 124.3048 56.3656 66.3246 173.3018 131 L 4.2747 8.9962 127.0580 54.7182 42.3778 176.6476 132 K 4.3412 8.8960 127.8508 56.5154 32.2347 176.9492 133 R 4.8381 8.4271 120.4686 55.0333 32.2525 174.7524 134 E 4.3334 8.7945 118.2907 57.8307 30.3315 175.7064 135 T 4.6578 7.5585 113.1307 62.3494 72.7954 173.2727 136 G 3.8328 8.5943 106.8527 46.3756 0.0000 173.6432 137 G 4.1218 7.8448 108.2046 43.9535 0.0000 172.6945 138 V 3.8373 8.9701 127.9032 61.5492 31.7458 175.3842 139 N 5.5274 8.8563 125.8759 51.4876 37.7148 174.1438 140 F 5.0135 7.4187 112.1888 55.6060 41.1470 173.1727 141 E 4.1309 8.5351 121.6720 54.3959 30.4670 174.9856 142 F 5.1614 8.1302 120.1157 54.7336 40.8116 175.0437 143 Q 4.2814 8.7877 121.3450 55.9173 29.3097 175.8820 144 H 4.3511 8.6937 117.6892 56.3537 29.5626 174.4241 145 L 4.5176 8.4646 123.6644 53.2920 44.7868 174.5344 146 Y 5.0424 8.7703 123.1954 56.0701 41.3101 174.3438 147 F 5.0103 9.7353 125.5544 56.2769 42.9973 173.7462 148 G 4.4875 8.5683 113.7785 44.2123 0.0000 172.6109 149 E 4.7472 9.0862 125.8686 55.8585 30.5647 177.3622 150 V 3.8959 8.6327 121.1729 64.1689 32.1656 175.1848 151 V 4.3800 8.6926 127.5896 61.0172 33.7667 174.2353 152 E 4.5742 8.8776 128.0866 56.2805 30.0743 176.4072 153 V 3.5547 8.8121 118.9752 59.1454 34.6547 174.6066 154 D 5.3533 9.0436 124.8254 52.8239 43.4251 174.9744 155 H 5.1509 9.5851 124.5617 54.7168 31.6837 172.7890 156 L 5.1390 8.6667 125.5568 52.3857 44.2211 175.2881 157 P 3.8182 0.0000 0.0000 64.6767 31.8084 176.0344 158 S 4.6388 7.0116 110.4333 56.7283 66.2331 172.0083 159 N 4.0627 8.6212 115.6033 54.1696 36.7995 172.1353 160 T 4.5687 7.2282 109.9076 61.5956 71.4726 171.1950 161 N 5.1511 8.4025 119.4288 50.9362 42.4410 174.4639 162 H 4.4431 8.6624 117.4718 56.4169 29.4611 175.4265 163 K 4.0997 9.1604 124.1419 55.9673 33.2777 176.1832 164 I 4.8621 8.1032 126.0741 59.5878 38.7884 173.5545 165 Y 4.3800 9.0783 125.4622 56.2587 39.1095 173.4273 166 P 4.6130 0.0000 0.0000 62.7067 32.5181 176.7643 167 V 4.2016 9.0408 125.0740 61.0447 32.3911 172.3649 168 N 5.1968 8.4988 124.2561 52.4275 39.3896 173.9712 169 L 4.8892 9.2771 127.3424 54.1951 43.4200 176.1462 170 I 4.7741 9.0084 122.7015 59.2984 40.8516 174.3964 171 R 4.3711 9.0120 129.8044 55.6380 29.7366 175.7070 172 D 4.5506 8.8393 127.8482 55.9862 41.3534 176.8095 173 T 5.0117 7.6559 108.1484 60.0426 71.3757 173.7521 174 N 5.4149 9.0520 119.9199 51.8300 43.1478 173.3587 175 R 5.1001 9.6803 123.2432 54.7067 32.7896 175.1437 176 F 5.1453 9.6160 122.9739 55.7733 41.9542 173.8861 177 N 5.3139 9.4779 124.1238 52.2557 40.2643 173.4208 178 L 5.5313 9.5545 126.7265 53.1626 45.2736 175.6854 179 A 5.2544 9.1970 122.8214 50.5956 23.1799 174.9272 180 L 5.4690 8.2254 121.6097 52.2684 46.0489 175.1774 *182 G 4.4530 8.3503 108.1436 46.1408 0.0000 171.9102 183 Y 4.4205 8.9957 125.8949 58.4945 39.9743 175.9486 184 E 3.5236 8.9227 127.0570 57.6436 28.3401 174.9897 185 E 4.4957 9.1275 122.3949 56.6258 31.0546 175.3105 186 N 4.4459 8.4159 121.1595 53.5435 38.4151 175.4111 187 K 4.4750 8.6578 128.1605 54.8450 32.6403 174.0706 188 V 4.6973 8.0747 119.2254 58.3676 35.3841 173.4527 189 D 4.7132 8.8321 124.7642 51.8957 40.0291 176.6665 190 G 3.8566 8.7941 117.6256 48.7719 0.0000 173.5969 191 T 4.1022 7.6100 106.4132 62.9218 69.1597 175.0795 192 Q 4.1936 8.1102 121.2177 56.3485 29.3552 174.4322 193 Y 5.4186 7.4089 114.5214 56.2087 41.8158 174.9607 194 T 4.6362 8.7294 111.1976 60.0272 72.3778 172.7943 195 F 5.6982 8.3443 121.1572 56.3707 41.9756 174.4472 196 E 4.7786 7.5629 116.3773 55.7960 33.4345 174.3530 197 I 4.7797 8.4482 121.8824 59.6399 40.3974 174.2871 198 Q 4.8457 8.9877 129.3085 54.7498 30.5055 174.0293 199 A 4.6368 8.9796 128.8956 48.5566 21.9558 174.8128 200 P 4.4685 0.0000 0.0000 61.1302 31.0886 174.4651 201 E 4.8431 7.4521 115.3497 55.9564 31.8341 175.3681 202 N 4.7104 8.4317 113.7331 51.7821 37.8191 174.7887 203 A 4.2432 8.3163 120.5077 53.5572 16.9769 176.9781 204 V 4.8492 7.1879 119.0905 62.9543 34.3447 173.7775 205 Y 4.9745 9.0583 126.2548 56.0564 41.0436 176.3801 206 S 5.1188 8.8984 119.4210 57.1929 64.8872 174.9158 207 W 4.5211 9.1395 116.0447 59.3825 27.7693 176.6667 208 E 3.5646 6.9200 116.0469 55.6482 29.2273 175.3522 209 N 3.5192 7.3788 116.2946 54.4332 37.6217 173.1961 210 E 4.7991 7.4096 115.1444 53.1035 31.7477 174.3296 211 P 4.1631 0.0000 0.0000 63.1252 31.8329 176.6139 212 T 4.2048 8.3327 111.5168 62.6217 69.5882 174.8434 213 G 4.1361 7.4430 110.0429 43.9426 0.0000 173.1250 214 Q 3.9153 8.4912 117.9371 55.6595 30.4750 178.2003 215 G 3.7295 7.7818 105.5549 45.0765 0.0000 175.3705 216 P 4.6634 0.0000 0.0000 62.1425 32.5350 173.7432 217 I 4.5053 8.4763 119.0716 59.3477 41.8228 173.8307 218 T 4.8753 8.5290 124.2760 61.9516 71.3225 172.6205 219 Y 4.8979 9.0957 125.2077 56.7950 39.4636 174.8503 220 V 4.6549 8.7961 125.0305 60.1043 34.3709 173.2944 221 P 4.6671 0.0000 0.0000 63.4232 31.3756 175.7558 222 Y 4.9096 8.3901 120.6020 57.1129 39.5103 175.0921 223 Y 4.9049 7.4893 121.1343 56.1371 42.5890 173.8617 224 T 4.5898 7.8576 121.8339 61.7441 71.7619 173.1987 225 G 4.5245 9.2825 113.5032 42.1768 0.0000 171.6894 226 P 4.3064 0.0000 0.0000 63.7589 31.6519 176.6550 227 G 3.9193 7.5698 109.1543 46.0024 0.0000 174.6060 228 E 4.2927 8.7720 128.7191 58.9937 28.3810 178.6713 229 I 3.0340 8.2975 129.2182 59.3910 36.1008 177.6716 230 S 3.8255 9.7335 110.4642 60.7239 58.8921 172.1724 231 D 4.5631 8.1841 118.6448 55.0773 39.4550 175.0688 232 V 3.8655 7.6782 120.0288 63.2806 31.6563 175.6649 233 V 4.1491 8.7634 120.3579 61.7659 32.2796 175.7850 *235 S 4.6518 7.8936 115.6148 58.3434 63.7953 172.2967 236 A 5.2507 9.4221 127.2642 50.6445 23.1526 174.9979 237 R 5.1658 9.2010 119.5909 54.2791 33.8637 174.7870 238 L 5.1955 8.9600 123.0638 53.9426 44.7237 174.8175 239 N 5.6322 8.7604 115.8136 51.2612 40.0598 174.3381 240 T 3.1553 8.8627 112.6518 61.0215 72.3567 173.1001 *242 R 4.2945 8.5542 119.0177 56.2651 31.6420 176.0192 243 L 4.0755 8.5532 122.5022 52.8221 41.4451 174.6752 244 L 4.4887 8.4943 122.7868 52.6629 42.5987 177.2373 245 N 4.6164 8.7789 124.3473 52.5265 37.6491 174.0150 246 R 4.5610 7.7019 121.7138 53.1530 34.3621 174.8142 247 S 4.3551 8.4940 114.7957 59.9519 62.4809 174.5874 248 G 3.9651 9.2101 115.9903 45.2193 0.0000 172.6988 249 W 4.5047 8.1609 119.7738 55.4981 29.0214 175.8085 250 D 4.9457 8.4883 124.8371 52.9026 41.5599 175.6409 251 Y 4.6914 8.7473 122.2835 57.0556 39.6995 175.0081 252 K 5.1637 9.3367 123.4890 54.5321 36.4980 174.8541 253 F 4.9589 9.3717 127.1004 56.7315 41.1958 174.2628 254 I 4.9992 8.0455 127.1349 59.5542 40.2633 174.5040 255 I 5.1001 9.0248 127.7100 59.8990 39.5126 175.1505 256 R 5.1998 8.8059 124.9065 54.0657 34.4863 174.1978 257 D 4.6960 8.8859 120.8133 53.7448 41.5074 176.7763 258 A 3.8902 8.6081 129.3372 55.4677 18.4519 178.6878 259 N 4.3327 8.3386 111.6799 56.4267 38.7668 176.1690 260 T 4.0972 7.8958 111.1901 61.6378 67.9074 175.2687 261 E 3.9027 8.3292 118.6025 57.2901 27.7667 173.6055 262 A 4.5104 7.1753 121.3535 50.6334 20.5233 177.3669 263 E 4.3983 8.8298 123.1425 56.8406 29.6371 176.7395 264 V 4.4455 8.9363 119.7831 61.6105 34.2037 175.7493 265 W 5.3843 8.1033 128.6677 56.4595 34.1337 173.1568 266 S 4.8665 7.6895 118.8490 57.1963 65.1655 172.2002 267 Y 4.4191 8.4604 125.6743 55.5738 42.9684 173.3499 268 N 4.8657 8.2240 122.9093 52.8776 40.3235 176.7620 269 L 4.5494 8.6849 131.7235 55.3818 41.8195 179.1718 *271 T 4.4327 8.0356 114.1436 63.3221 70.2464 176.5363 272 L 4.1034 7.9922 120.6783 57.6780 41.7356 179.1451 273 L 4.2566 8.0904 117.0588 56.2378 42.1376 178.0147 274 S 4.3540 7.8997 113.5413 59.8620 63.5446 174.4423 275 I 3.4911 7.2026 122.6426 62.2201 36.9521 175.5566 276 A 3.6768 8.7269 126.3531 52.4978 16.2941 177.4121 277 R 4.0533 7.2668 112.3349 55.6942 30.0542 174.9186 278 P 4.3329 0.0000 0.0000 63.0449 32.1725 176.5653 279 V 4.2906 8.2841 112.4364 61.0457 32.6582 175.1245 280 S 5.0500 7.5622 115.5806 56.4252 65.9324 174.2049 281 R 4.1703 8.8481 123.3041 54.8703 30.7745 177.1085 282 Y 3.7759 6.6030 119.5984 60.6280 38.6226 176.2736 283 D 4.5169 7.8558 116.2369 53.2686 39.8554 177.0752 284 G 3.8811 7.9196 109.2913 45.5054 0.0000 174.3401 285 T 4.0736 7.7773 110.2994 60.7915 69.5755 173.4491 286 E 4.2640 8.6002 123.9268 57.0002 30.3148 176.2146 287 L 4.5747 8.7567 129.6548 52.8094 42.4758 174.2019 288 P 4.4594 0.0000 0.0000 62.6160 32.4081 177.5828 289 F 4.5432 9.1034 123.7678 61.6883 39.3649 177.3871 290 Q 3.8019 8.1704 118.8087 59.0745 28.9412 177.5678 291 E 4.0004 8.2521 119.9428 59.3492 29.7119 177.9574 292 Y 4.1730 8.2177 119.5421 60.8251 38.6866 178.0623 293 L 4.1157 7.7270 118.5275 57.8790 41.7139 179.0911 294 D 4.5391 7.8698 117.7647 57.4644 40.8436 178.7901 295 R 4.0427 8.0730 120.3161 57.4212 30.0804 176.8872 296 Q 3.8650 7.5734 119.9200 55.3867 29.5504 175.2399 297 S 4.8231 8.0237 116.9788 57.4499 65.7798 172.5312 298 E 4.7781 7.3829 119.8868 54.2629 31.0904 174.9081 299 W 4.7421 9.2157 127.4613 54.7782 32.5214 174.7433 300 N 5.5558 8.8227 119.4686 51.5381 41.4399 173.8575 301 L 4.3313 9.0203 122.9598 52.9409 45.4737 175.7333 302 V 4.5066 7.8570 124.7008 61.0658 34.0180 174.0100 303 F 4.8868 9.0747 127.9582 56.1369 40.9271 174.7734 304 T 4.5781 8.7672 118.8661 60.4326 69.5553 173.4242 305 V 4.7064 8.2820 120.1175 59.6091 36.9542 174.4594 306 V 4.6884 8.5706 121.9913 61.0659 33.6671 174.8957 307 E 4.8056 9.0980 127.7458 56.4588 30.5839 176.2566 308 K 4.5627 8.6873 126.3228 55.2364 34.1935 177.4355 309 N 4.3447 9.2019 123.9653 55.5359 37.7333 175.4597 310 G 3.8309 8.3297 106.7179 47.3102 0.0000 173.8491 311 G 4.1237 7.1753 116.2883 45.9569 0.0000 174.2621 312 G 3.9676 7.1953 118.2935 45.0666 0.0000 174.0502 313 F 5.4268 8.3122 122.8097 55.4363 42.2630 174.7798 314 L 4.3218 9.0958 125.7721 57.5399 42.2806 177.4640 315 Q 4.5338 7.8721 118.6278 54.6900 32.6963 173.3209 316 I 4.8628 8.2865 124.7959 59.8027 41.8349 173.4918 317 G 4.3510 8.8275 114.2969 45.1370 0.0000 171.3481 318 I 4.5525 8.0809 114.4987 58.6771 39.8207 174.9111 319 V 4.1256 8.4747 127.9888 62.2473 32.2273 175.7236 320 V 4.1950 8.8657 129.0650 61.4453 33.5912 177.8261 321 G 3.7232 8.9307 121.3363 46.8226 0.0000 173.2461 322 T 4.2149 8.4554 118.4208 61.4451 69.2025 173.0411 323 W 4.8389 7.7259 121.1630 56.4868 31.0712 175.1738 324 I 4.4298 8.0409 122.1102 59.8517 39.3638 175.2449 325 H 4.4744 8.4660 124.8563 53.6489 29.3585 173.9759 326 W 4.6889 8.3303 123.5060 56.6104 29.8164 175.7364 327 L 4.8274 9.0073 125.3357 53.6157 42.2963 175.9922 328 H 4.8598 9.0132 119.1917 54.4317 30.4622 171.8266 329 G 3.5830 8.4837 113.6202 45.3444 0.0000 174.0821 *331 E 4.1272 8.3928 123.7350 56.4667 29.8915 176.1703 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 G 8.35 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 S 8.68 4.66 0.00 3.97 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 21 C 7.75 5.21 0.00 3.04 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.64 4.59 0.00 2.64 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 23 S 9.70 4.41 0.00 3.72 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.23 4.23 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 1.16 0.72 0.91 0.00 0.00 25 R 7.95 4.18 0.00 1.82 1.75 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 26 E 8.75 4.29 0.00 1.98 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 2.22 1.87 0.00 27 D 8.27 4.60 0.00 2.69 2.62 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 28 L 7.51 4.90 0.00 1.59 1.58 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.77 0.00 2.23 2.24 0.00 3.88 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.06 0.00 30 R 8.49 4.38 0.00 1.95 2.06 0.00 3.08 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 31 C 8.81 4.61 0.00 3.10 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.33 4.80 0.00 2.23 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 2.46 2.62 0.00 33 L 8.55 5.21 0.00 1.73 1.33 1.20 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 34 W 9.86 5.25 0.00 3.17 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 35 L 8.58 5.05 0.00 1.13 0.88 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.83 4.74 0.00 1.87 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 0.00 2.05 2.12 0.00 37 F 8.55 4.81 0.00 1.60 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 38 V 9.11 4.53 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 0.84 0.00 0.00 0.89 0.00 0.00 39 F 10.14 5.39 0.00 3.19 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 40 D 8.25 4.86 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 41 Y 7.10 4.51 0.00 2.91 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 42 N 6.72 5.17 0.00 2.73 1.81 0.00 0.00 6.71 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 *44 E 9.29 4.29 0.00 2.07 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 0.00 2.18 2.39 0.00 45 Y 7.32 3.46 0.00 3.11 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 46 A 7.40 4.67 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.65 4.55 0.00 2.63 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 48 A 9.20 4.82 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 9.03 4.00 0.00 3.32 3.18 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 0.00 50 N 8.23 5.00 0.00 2.81 2.75 0.00 0.00 6.74 8.02 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 51 P 0.00 4.77 0.00 2.10 2.06 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.93 0.00 52 Q 7.79 3.99 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.54 2.64 0.00 53 V 6.54 3.37 0.79 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 0.38 0.00 0.00 -0.45 0.00 0.00 54 K 8.75 4.40 0.00 1.76 1.76 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.38 1.24 7.81 55 S 7.48 4.93 0.00 3.91 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 56 V 9.00 4.72 1.57 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 0.24 0.00 0.00 0.51 0.00 0.00 57 D 9.23 5.17 0.00 2.67 2.56 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 58 V 8.63 4.75 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 0.95 0.00 0.00 1.13 0.00 0.00 59 L 9.04 4.66 0.00 1.72 1.15 1.01 0.79 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 60 V 7.98 4.39 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 0.53 0.00 0.00 0.34 0.00 0.00 61 F 9.17 5.25 0.00 2.99 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 62 D 8.98 5.00 0.00 2.93 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 63 S 8.39 4.06 0.00 3.91 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 64 D 8.29 4.58 0.00 2.87 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 65 D 8.24 4.51 0.00 2.78 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 66 K 7.89 4.85 0.00 2.24 1.76 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.50 0.99 7.81 67 L 9.13 3.69 0.00 1.82 1.58 0.42 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.87 4.39 0.00 1.37 1.83 1.12 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 69 F 6.82 4.81 0.00 2.94 3.01 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 70 T 8.57 5.04 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 1.25 0.00 0.00 71 K 9.25 4.45 0.00 1.76 1.80 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.71 7.81 72 S 8.62 5.01 0.00 4.00 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 73 V 8.73 4.52 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 0.86 0.00 0.00 0.95 0.00 0.00 74 K 8.66 4.51 0.00 1.95 1.69 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.52 0.99 7.81 75 V 8.35 3.77 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 1.04 0.00 0.00 0.69 0.00 0.00 76 A 8.06 3.99 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 77 A 8.24 4.41 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.85 4.51 0.00 2.03 1.94 1.13 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.79 3.88 2.45 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 0.84 0.00 0.00 1.25 0.00 0.00 80 G 9.57 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 0.00 0.00 0.00 81 G 9.46 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 0.00 0.00 0.00 82 N 7.86 4.85 0.00 2.73 3.00 0.00 0.00 5.98 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 83 R 8.14 5.67 0.00 2.02 2.09 0.00 2.74 0.00 0.00 2.73 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.38 0.00 *85 S 8.28 3.50 0.00 2.72 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 86 L 8.00 4.63 0.00 1.54 1.47 0.86 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.09 3.61 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 88 D 7.67 4.53 0.00 2.52 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 89 E 7.64 4.05 0.00 1.96 1.61 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 2.07 2.11 0.00 90 L 7.37 4.61 0.00 1.32 1.14 0.31 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.45 4.43 0.00 2.60 2.65 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 92 F 8.13 4.58 0.00 3.14 3.01 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 93 G 7.70 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 94 S 7.54 5.11 0.00 3.59 3.69 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 95 Y 9.33 5.06 0.00 2.74 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 96 K 9.02 5.09 0.00 1.76 1.71 0.00 1.68 0.00 0.00 1.49 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.34 7.81 97 V 8.86 4.89 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 1.03 0.00 0.00 0.85 0.00 0.00 98 L 9.14 5.10 0.00 2.01 1.74 1.20 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.47 5.16 4.30 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 1.29 0.00 0.00 100 V 8.61 4.58 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 0.98 0.00 0.00 0.81 0.00 0.00 101 G 9.09 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 0.00 0.00 0.00 0.00 102 S 8.49 3.75 0.00 4.32 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 0.00 103 L 7.34 4.09 0.00 1.75 1.76 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.43 4.70 0.00 4.17 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.56 4.51 0.00 2.79 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 0.00 106 R 7.94 4.14 0.00 1.63 1.72 0.00 2.63 0.00 0.00 3.00 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 107 F 7.89 5.51 0.00 2.95 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 0.00 108 R 9.40 4.67 0.00 1.83 1.78 0.00 3.11 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 109 L 8.72 5.10 0.00 1.75 1.62 1.07 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.87 4.74 0.00 4.14 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 0.00 111 D 9.06 5.11 0.00 2.83 2.91 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 0.00 112 N 9.04 4.46 0.00 2.88 3.05 0.00 0.00 6.86 6.82 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 0.00 113 A 8.46 4.37 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 0.00 114 G 8.45 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 0.00 115 N 8.01 4.86 0.00 3.17 2.75 0.00 0.00 7.03 7.68 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 0.00 116 K 8.61 4.10 0.00 2.02 1.80 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.46 1.07 7.81 117 L 8.51 3.97 0.00 1.66 1.65 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.96 4.19 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 1.08 0.00 0.00 0.97 0.00 0.00 119 P 0.00 4.54 0.00 2.09 2.21 0.00 3.70 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 120 G 9.44 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 7.54 4.40 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 1.23 0.00 0.00 122 T 8.27 4.14 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 1.32 0.00 0.00 123 T 8.68 4.85 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 124 L 7.99 2.76 0.00 0.56 1.02 0.31 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 7.33 3.22 0.00 1.81 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.72 0.00 0.00 0.00 0.00 0.00 2.03 1.41 0.00 126 Q 7.80 4.34 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 127 V 7.82 4.52 2.38 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 0.95 0.00 0.00 1.20 0.00 0.00 128 I 9.02 5.12 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.79 1.00 0.00 0.00 129 V 9.00 4.97 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 1.16 0.00 0.00 1.16 0.00 0.00 130 S 9.22 5.40 0.00 3.83 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 0.00 131 L 9.00 4.27 0.00 1.65 1.76 0.43 0.66 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 0.00 132 K 8.90 4.34 0.00 1.54 1.72 0.00 1.86 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.38 7.81 133 R 8.43 4.84 0.00 2.00 2.07 0.00 3.11 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 134 E 8.79 4.33 0.00 2.02 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 2.27 2.27 0.00 135 T 7.56 4.66 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 0.00 136 G 8.59 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 7.84 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 0.00 0.00 0.00 138 V 8.97 3.84 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 0.55 0.00 0.00 0.75 0.00 0.00 139 N 8.86 5.53 0.00 2.97 3.03 0.00 0.00 6.24 8.12 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 0.00 140 F 7.42 5.01 0.00 3.04 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.54 4.13 0.00 1.16 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 1.88 1.58 0.00 142 F 8.13 5.16 0.00 3.13 3.01 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 0.00 143 Q 8.79 4.28 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 144 H 8.69 4.35 0.00 3.02 2.72 0.00 5.64 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 0.00 145 L 8.46 4.52 0.00 0.86 0.92 0.57 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 146 Y 8.77 5.04 0.00 3.02 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 0.00 147 F 9.74 5.01 0.00 3.04 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.57 4.49 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 0.00 149 E 9.09 4.75 0.00 1.96 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 2.50 2.47 0.00 150 V 8.63 3.90 2.32 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 0.82 0.00 0.00 1.23 0.00 0.00 151 V 8.69 4.38 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 0.92 0.00 0.00 1.05 0.00 0.00 152 E 8.88 4.57 0.00 1.91 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 2.36 0.00 153 V 8.81 3.55 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.92 0.00 0.00 154 D 9.04 5.35 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 H 9.59 5.15 0.00 3.40 3.61 0.00 5.72 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 L 8.67 5.14 0.00 1.52 1.45 1.01 1.11 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 0.00 157 P 0.00 3.82 0.00 1.75 0.75 0.00 3.34 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.32 0.00 158 S 7.01 4.64 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 0.00 159 N 8.62 4.06 0.00 2.80 2.86 0.00 0.00 6.69 7.70 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 0.00 160 T 7.23 4.57 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 1.26 0.00 0.00 161 N 8.40 5.15 0.00 2.58 2.66 0.00 0.00 6.87 8.16 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 0.00 162 H 8.66 4.44 0.00 3.09 3.35 0.00 5.69 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 0.00 163 K 9.16 4.10 0.00 1.85 1.61 0.00 1.52 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.68 1.94 7.81 164 I 8.10 4.86 1.78 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.60 0.83 0.00 0.00 165 Y 9.08 4.38 0.00 2.88 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 0.00 166 P 0.00 4.61 0.00 1.95 1.97 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 167 V 9.04 4.20 1.88 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 1.11 0.00 0.00 0.72 0.00 0.00 168 N 8.50 5.20 0.00 2.80 2.74 0.00 0.00 7.26 7.78 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 0.00 169 L 9.28 4.89 0.00 1.92 1.88 1.18 0.92 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 0.00 170 I 9.01 4.77 1.90 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 1.26 1.17 1.04 0.00 0.00 171 R 9.01 4.37 0.00 1.62 1.91 0.00 3.15 0.00 0.00 2.93 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.73 0.00 172 D 8.84 4.55 0.00 2.45 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 0.00 0.00 0.00 173 T 7.66 5.01 4.58 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 1.33 0.00 0.00 174 N 9.05 5.41 0.00 2.89 2.94 0.00 0.00 6.99 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 R 9.68 5.10 0.00 1.92 1.91 0.00 3.02 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 176 F 9.62 5.15 0.00 3.03 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 0.00 177 N 9.48 5.31 0.00 2.78 2.88 0.00 0.00 6.57 6.28 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 0.00 178 L 9.55 5.53 0.00 1.95 1.57 1.19 1.27 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 0.00 179 A 9.20 5.25 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 0.00 180 L 8.23 5.47 0.00 1.99 1.56 0.80 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *182 G 8.35 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 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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 0.00 200 P 0.00 4.47 0.00 1.67 1.84 0.00 2.28 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 201 E 7.45 4.84 0.00 2.07 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 2.49 2.35 0.00 202 N 8.43 4.71 0.00 2.78 2.93 0.00 0.00 5.79 7.46 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 0.00 203 A 8.32 4.24 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 V 7.19 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 1.00 0.00 0.00 0.96 0.00 0.00 205 Y 9.06 4.97 0.00 2.94 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 0.00 206 S 8.90 5.12 0.00 3.98 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 W 9.14 4.52 0.00 3.63 3.45 0.00 0.00 0.00 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0.00 0.00 0.00 293 L 7.73 4.12 0.00 1.65 1.60 0.33 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 294 D 7.87 4.54 0.00 2.94 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 0.00 295 R 8.07 4.04 0.00 1.57 1.55 0.00 2.80 0.00 0.00 2.59 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.68 0.00 296 Q 7.57 3.87 0.00 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.73 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 297 S 8.02 4.82 0.00 3.79 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 0.00 298 E 7.38 4.78 0.00 1.82 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 2.12 2.21 0.00 299 W 9.22 4.74 0.00 2.30 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 300 N 8.82 5.56 0.00 2.55 2.68 0.00 0.00 6.75 7.85 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 0.00 301 L 9.02 4.33 0.00 1.42 0.78 0.89 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 302 V 7.86 4.51 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 0.86 0.00 0.00 0.88 0.00 0.00 303 F 9.07 4.89 0.00 2.87 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 0.00 304 T 8.77 4.58 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 1.06 0.00 0.00 305 V 8.28 4.71 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 -0.33 0.00 0.00 0.78 0.00 0.00 306 V 8.57 4.69 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 1.10 0.00 0.00 1.04 0.00 0.00 307 E 9.10 4.81 0.00 2.01 1.98 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 2.58 2.51 0.00 308 K 8.69 4.56 0.00 1.86 1.55 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.39 7.81 309 N 9.20 4.34 0.00 2.78 2.74 0.00 0.00 6.71 7.51 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 0.00 310 G 8.33 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 311 G 7.18 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 0.00 0.00 0.00 312 G 7.20 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 313 F 8.31 5.43 0.00 2.95 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 0.00 314 L 9.10 4.32 0.00 1.53 1.74 1.01 0.72 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 0.00 315 Q 7.87 4.53 0.00 1.93 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 1.40 1.91 0.00 316 I 8.29 4.86 1.23 0.00 0.00 -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 0.55 0.85 0.57 0.00 0.00 317 G 8.83 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 318 I 8.08 4.55 1.47 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 0.96 0.72 0.32 0.00 0.00 319 V 8.47 4.13 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 0.66 0.00 0.00 0.80 0.00 0.00 320 V 8.87 4.20 2.29 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 1.09 0.00 0.00 0.92 0.00 0.00 321 G 8.93 3.72 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 0.00 0.00 0.00 322 T 8.46 4.21 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 0.54 0.00 0.00 323 W 7.73 4.84 0.00 3.49 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 0.00 324 I 8.04 4.43 0.96 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 1.02 0.43 -0.99 0.00 0.00 325 H 8.47 4.47 0.00 2.97 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 326 W 8.33 4.69 0.00 3.22 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 0.00 327 L 9.01 4.83 0.00 1.53 1.44 0.78 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 328 H 9.01 4.86 0.00 3.22 3.37 0.00 5.81 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 0.00 329 G 8.48 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 *331 E 8.39 4.13 0.00 1.99 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 2.28 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.