NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.2040 8.1849 122.4865 54.7708 43.2207 175.8688 4 K 4.4843 8.1771 123.7666 51.9087 34.7936 173.5253 5 P 4.6230 0.0000 0.0000 62.8192 33.9801 175.1434 6 V 4.5318 9.4947 123.5884 62.6991 32.9181 174.5530 7 I 4.8090 8.6852 129.6898 59.5417 39.3945 175.1365 8 G 4.1448 9.1538 116.3067 45.7861 0.0000 172.1505 9 I 4.8516 8.9027 127.8789 59.8844 39.1834 175.0907 10 T 4.3030 8.5241 123.1563 61.7391 67.7951 174.0172 11 G 3.8261 8.2747 117.1429 45.5759 0.0000 173.7369 *30 Q 4.7921 8.7335 124.2498 55.5783 31.1385 176.5619 31 Q 4.0753 8.1070 117.8902 59.7805 29.0200 178.0493 32 R 4.3159 7.8830 119.7099 58.4644 30.1646 178.3689 33 Y 4.0031 7.9448 116.8235 60.9549 37.8957 178.3982 34 V 3.6774 7.8433 112.9639 64.1922 31.5648 178.1909 35 D 4.3322 8.1508 118.6200 57.2554 40.2081 178.5351 36 A 2.5800 7.4666 120.9796 54.8693 18.0446 179.8679 37 I 3.6917 7.2989 117.8654 64.3151 37.0702 178.8651 38 Q 4.1961 8.0729 120.4269 58.3896 28.4342 178.5864 39 K 4.0196 8.1139 119.4551 58.4327 32.1372 178.0022 40 V 4.2813 7.0921 116.6821 61.2864 31.7399 176.5470 41 G 3.8961 8.3436 107.3035 45.3895 0.0000 173.6962 42 G 4.1136 8.2078 107.2754 44.5976 0.0000 173.0427 43 F 5.1096 9.0156 123.4225 55.7192 40.6375 172.6061 44 P 5.7071 0.0000 0.0000 61.2983 32.7234 175.4519 45 I 4.5309 8.0646 114.5614 59.0073 41.2005 173.6591 46 A 4.9434 8.5151 126.1072 50.7971 20.2985 176.4070 47 L 4.5043 8.8117 124.1240 52.8834 42.8898 175.1336 48 P 4.6815 0.0000 0.0000 61.6307 32.3782 176.6752 49 I 3.6143 8.0914 114.9621 61.2361 38.0553 174.6023 50 D 4.3470 6.0500 120.4382 52.4898 44.4646 173.8016 51 D 4.4873 8.3469 119.7326 53.3472 41.9554 174.8247 52 P 4.4731 0.0000 0.0000 66.1501 31.1066 178.6454 53 S 4.3151 8.7407 111.9021 60.4974 63.0627 175.4640 54 T 4.3990 8.4108 112.9610 61.9828 69.1674 176.1240 55 A 3.8959 8.0698 124.9920 55.5403 18.2630 179.8451 56 V 3.5623 7.7938 110.1609 64.7936 31.4912 178.4491 57 Q 3.9629 8.0481 116.8504 58.9742 29.3843 177.4008 58 A 4.2195 8.3060 122.0594 55.5739 18.3971 179.7661 59 I 3.7300 7.9284 118.3606 64.3976 36.9023 178.7076 60 S 4.1235 7.7696 114.0435 61.4898 62.6360 176.3250 61 L 4.2292 7.7278 121.0890 55.5394 41.6085 176.9264 62 V 4.5185 7.3458 111.1429 59.7768 34.2505 174.7465 63 D 4.9231 9.1851 119.7918 54.8622 42.8274 177.1579 64 G 4.7800 7.8891 103.7044 44.0604 0.0000 171.2205 65 L 5.2663 8.9267 122.9188 52.8039 45.3775 174.8785 66 L 5.1207 9.1570 128.3472 53.3533 44.7550 174.9334 67 L 4.6786 8.6416 128.0779 54.0910 42.9353 177.2021 68 T 4.1581 8.1152 114.7763 59.9247 71.2026 174.0513 69 G 3.8832 8.5103 109.7614 45.7544 0.0000 174.0622 70 G 3.9924 8.0685 105.4565 46.0719 0.0000 171.9352 71 Q 4.4502 8.1484 122.5506 55.2481 30.0164 175.8299 72 D 4.6871 8.2617 120.1329 54.7360 41.7365 176.4833 73 I 4.6287 8.2286 121.6348 60.4806 38.4990 176.2176 74 T 3.0285 8.7591 117.1462 61.2241 68.9902 173.2396 75 P 3.3652 0.0000 0.0000 65.4132 31.6750 178.4230 76 Q 3.8826 7.6901 117.2440 58.2165 28.7202 178.2609 77 L 4.1998 7.4055 116.7361 56.6497 41.7144 176.8531 78 Y 4.7855 7.0782 116.9346 56.4744 38.3256 175.0958 79 L 3.5815 7.5673 116.3573 57.0276 39.7174 174.6918 80 E 4.5678 7.3794 115.1652 54.3893 33.2441 176.0042 81 E 4.2030 8.4053 121.8499 54.7227 30.5575 174.7241 82 P 4.3120 0.0000 0.0000 62.6867 32.0491 176.7422 83 S 4.5728 9.6448 118.6925 57.0848 64.2587 175.2031 84 Q 4.0511 8.6667 120.0199 58.7485 28.4792 177.4767 85 E 4.5019 7.6005 113.9654 55.9442 29.8432 175.7393 86 I 4.2175 7.5300 119.7512 60.8833 38.9935 176.5021 87 G 4.1649 8.8708 115.1561 45.7526 0.0000 173.0229 88 A 4.4902 8.6385 121.4857 52.2680 19.7726 176.7566 89 Y 4.9657 7.6959 116.7077 55.7924 41.9884 174.9440 90 F 4.7056 8.8452 121.3805 55.1204 41.0084 172.9809 91 P 4.2126 0.0000 0.0000 65.4456 31.1761 176.5661 92 P 4.1767 0.0000 0.0000 65.2337 31.1548 178.7938 93 R 4.0474 8.1142 117.4862 59.6184 30.0773 178.2449 94 D 4.3832 8.1487 118.2014 57.5409 40.7211 178.4789 95 S 4.0791 8.4371 113.9612 61.6327 62.3078 175.6629 96 Y 4.2234 8.1140 122.1069 60.6801 38.6715 177.3658 97 E 3.8834 8.8656 119.7433 58.9677 29.6007 179.4712 98 I 3.6648 7.9918 120.2961 64.3141 37.2309 178.2827 99 A 4.0101 7.6711 121.4251 54.7309 18.0585 179.8192 100 L 3.6885 7.5980 117.7490 58.0987 41.7814 179.8970 101 V 3.5981 7.6867 112.2146 64.6414 31.4716 178.9122 102 R 3.9791 7.9030 117.0716 59.2008 29.6568 178.9436 103 A 4.0683 7.6087 118.9407 54.4773 18.7724 179.3917 104 A 4.1016 8.0232 119.7607 55.2897 18.6474 179.6965 105 L 4.4531 8.3195 119.2303 57.6167 41.5078 179.3955 106 D 4.3708 8.0686 116.3451 56.4691 40.9430 177.0699 107 A 4.5612 7.8746 119.1597 50.9738 19.1183 178.1317 108 G 4.2275 7.8708 105.3656 45.7070 0.0000 174.4842 109 K 4.4610 7.3754 118.7037 55.0805 33.0571 175.4321 110 P 4.9742 0.0000 0.0000 63.2460 33.1431 175.0443 111 I 5.2563 9.3534 122.3796 59.6835 40.9842 174.0253 112 F 5.5065 9.6275 129.5755 56.5799 41.8099 173.4401 113 A 5.1003 8.8562 128.4073 50.0833 21.8620 174.9127 114 I 4.2754 8.3436 122.5384 61.2040 40.5183 175.8849 115 C 4.0385 9.0527 126.2589 58.8979 32.4103 173.9769 116 R 3.9581 9.3357 118.4401 59.4936 30.1217 177.9883 117 G 3.8433 8.4110 104.3442 46.1921 0.0000 175.0423 *119 Q 4.1228 8.1574 121.0942 55.4554 30.9093 177.5830 120 L 3.8842 8.0219 119.4047 58.0106 42.0366 179.0700 121 V 3.4063 7.7621 118.2728 65.8188 31.2855 177.5161 122 N 3.8400 7.7099 116.1825 56.6917 38.7800 176.9711 123 V 3.6580 7.6580 119.3031 65.7028 31.3185 177.8149 124 A 4.0493 8.1616 120.5298 54.2724 18.1582 178.5113 125 L 4.6161 7.4404 114.9663 54.5343 42.3061 177.5116 126 G 3.9060 7.8840 106.6479 45.0067 0.0000 174.3663 127 G 4.4664 7.9966 107.3997 45.2223 0.0000 172.8867 128 T 4.7517 8.7165 115.5555 61.6412 73.1106 173.2725 129 L 5.0205 7.3178 121.3710 54.4764 43.9834 174.9441 130 Y 4.3323 9.5929 119.3787 57.4780 38.3434 177.2426 131 Q 4.1420 9.1760 123.9080 58.7835 29.4877 175.8257 132 D 5.2048 7.8525 114.2201 53.4192 44.1553 175.5702 133 I 3.9824 8.6230 123.9495 63.9976 38.2537 178.3033 134 S 4.2261 8.7456 114.8832 61.0343 62.8520 175.1564 135 Q 4.2660 8.0117 118.1531 56.5878 28.8597 176.3069 136 V 3.3403 7.1886 119.1510 62.1818 32.0493 175.1877 137 E 4.0907 8.9716 127.8671 59.5720 29.5063 177.4121 138 T 4.3307 7.3476 107.2032 59.6199 70.3650 174.3350 139 K 3.7538 8.5071 125.0360 56.7815 32.4566 176.4870 140 A 4.3662 8.1884 129.0903 50.8539 20.2687 175.9286 141 L 4.4231 8.5706 120.6149 53.4280 43.1630 176.6441 142 Q 4.2021 8.3802 120.2784 56.9098 29.4867 175.7681 143 H 5.3811 8.8301 118.6239 54.1854 30.9553 172.6184 144 L 4.8955 7.5385 121.0485 52.2883 41.6213 175.4960 145 Q 4.4567 8.4654 119.0806 55.6298 29.3360 177.7966 146 R 4.4438 8.2109 116.4919 56.1594 31.6691 177.1167 147 V 3.7231 7.6401 117.7159 62.1322 32.3342 174.5907 148 D 4.2831 8.5412 123.5919 54.0620 41.4157 177.5010 149 E 3.9140 8.9788 124.6908 59.4395 29.3584 178.2312 150 Q 4.3728 8.5166 116.9914 56.6306 29.2107 176.0459 151 L 4.4925 7.7207 118.1386 53.1054 42.9421 176.8323 152 G 3.8030 8.3901 111.0793 45.6276 0.0000 173.0675 153 S 4.6699 9.2614 116.5816 58.8830 65.4146 174.0323 154 H 5.1420 7.7539 115.4736 53.2507 30.3116 173.3880 155 T 4.8148 8.4748 111.7974 61.4245 70.5224 173.2604 156 I 4.8443 8.5302 118.3572 59.2309 41.0567 173.9255 157 D 5.1984 9.1029 124.7256 53.3402 42.5072 175.4732 158 I 4.9072 9.1409 124.1449 59.2337 40.2698 175.0701 159 E 4.0810 8.8411 127.5847 55.4011 29.7342 175.4490 160 P 4.2473 0.0000 0.0000 65.9646 31.5102 177.1968 161 T 4.2848 7.8294 105.0565 61.6021 69.0361 174.4688 162 S 4.6349 7.6965 117.6155 56.9988 65.0770 174.1689 163 E 4.1259 9.5294 120.3864 59.3923 29.5936 179.6702 164 L 4.0594 8.8297 120.5488 58.1866 40.5812 178.8756 165 A 4.7062 7.7410 121.4117 54.4416 17.9992 179.6208 166 K 4.1476 7.7679 115.6025 58.8287 32.1175 177.5344 167 H 4.8982 7.5767 112.0736 55.3820 31.2587 173.5523 168 H 4.9256 8.8644 117.3475 52.9889 31.3004 171.5800 169 P 4.5783 0.0000 0.0000 61.7425 32.3636 175.2917 170 N 4.4204 8.4216 118.4201 55.1153 39.3307 174.4325 171 K 3.9716 8.3311 121.2657 57.2556 30.1254 176.2324 172 K 4.1776 7.3506 119.7901 56.3144 33.4516 175.6510 173 L 4.5347 8.3194 126.6590 54.2321 42.4097 176.2790 174 V 4.2816 8.3494 123.4108 60.7092 35.2517 174.5191 175 N 5.0480 8.4699 122.5242 52.5000 39.6775 174.1421 176 S 4.6911 9.3865 113.2500 56.8846 66.0040 174.3676 177 L 4.9881 8.3123 127.2413 53.0510 42.3658 174.2254 178 H 4.9734 8.9597 114.4284 54.7287 32.3343 173.6814 179 H 4.8501 8.6197 112.1154 54.9858 30.3230 172.4645 180 Q 5.0835 7.7666 116.9743 54.4607 31.9954 174.3784 181 F 5.0321 8.7943 118.5309 55.6470 44.2351 174.0625 182 I 3.8126 8.5362 121.4190 62.9229 37.0934 174.1476 183 K 3.9294 9.2867 130.1832 57.1216 31.6131 176.5523 184 K 4.3786 8.3437 117.7061 54.9059 34.4683 175.7974 185 L 4.3800 8.5309 129.7957 54.9306 42.4749 176.3992 186 A 4.3900 8.4833 126.9574 50.9681 19.9596 175.2030 187 P 4.4475 0.0000 0.0000 64.0468 32.3446 177.1968 188 S 4.1295 9.0054 116.0460 58.6497 59.8530 168.7146 189 F 5.2893 7.4585 117.3719 55.5145 42.5120 174.1757 190 K 4.8465 8.9605 123.2293 54.6197 35.8387 175.4272 191 V 4.3868 8.5341 126.4830 61.9889 31.9987 175.8385 192 T 4.5730 9.4156 121.2465 64.0310 70.5455 174.1949 193 A 5.5314 7.6724 121.4835 50.9389 22.9620 175.2458 194 R 5.0697 8.4630 117.7138 54.9818 35.3192 174.7249 195 T 4.7959 8.4177 111.3052 60.1348 70.9072 175.3470 196 A 4.1230 7.8837 122.4810 55.1775 18.2890 178.4122 197 D 4.4768 8.0271 112.7398 53.6581 40.0743 176.0074 198 G 3.5032 8.1485 109.2414 46.0913 0.0000 171.4738 *200 I 4.1312 7.3947 120.6224 61.7868 38.2937 175.3525 201 E 4.8953 9.2273 124.2211 56.5914 32.5372 175.8986 202 A 4.8983 7.9189 120.5999 50.2822 22.9547 175.0829 203 V 4.8193 9.0997 122.0139 61.1162 34.8195 174.3324 204 E 5.0891 9.3970 126.3900 54.2742 33.5780 175.6536 205 G 4.1580 8.1880 107.6421 46.3532 0.0000 173.5071 206 D 4.3068 8.2487 119.8130 53.2671 43.3303 174.8651 207 N 4.1937 8.6846 126.2323 54.5742 35.3855 174.4188 208 L 4.7737 7.2292 116.8327 52.8032 43.6636 175.7679 209 P 4.3684 0.0000 0.0000 64.9445 31.5759 175.6227 210 S 4.9997 7.6208 114.4642 56.1020 67.4201 173.0197 211 W 4.5604 8.8672 132.2706 57.5914 31.7936 174.1442 212 Y 5.0421 8.1165 127.8143 55.6031 41.8532 173.4666 213 L 3.7707 7.6161 127.4164 52.7890 45.5058 175.0135 214 G 4.2962 8.1883 113.7653 43.5239 0.0000 171.8244 215 V 4.3364 8.0224 119.6058 59.2389 33.7698 176.9187 216 Q 4.0016 9.7319 126.3878 57.5873 30.1375 175.7017 217 W 4.9878 7.4056 115.1920 55.7918 30.6186 175.6217 218 H 4.8133 9.1946 115.3914 53.3703 27.8020 172.1469 219 P 4.8196 0.0000 0.0000 65.3342 31.7060 178.5920 220 E 4.3260 8.5736 116.0182 58.7072 29.2746 176.9884 221 L 4.4270 8.4186 120.3873 54.8442 42.3919 178.3722 *223 F 5.0523 8.0887 116.1854 57.2293 39.4677 176.5370 224 Q 3.9012 6.6008 116.6065 57.3138 28.2752 176.9960 225 T 4.5207 7.5493 108.7734 62.6433 70.2294 173.4574 226 D 4.6766 7.6551 120.0163 50.8970 42.0224 173.0471 227 P 4.3218 0.0000 0.0000 65.5107 31.2863 177.6054 228 E 4.0664 8.1862 116.7109 59.5528 29.4696 179.3139 229 S 4.4495 8.5963 115.3109 61.7169 62.9268 176.2667 230 E 4.2497 8.1611 121.1287 59.6122 29.2664 178.9240 231 Q 4.1427 8.0439 117.6634 58.5472 28.5588 178.6809 232 L 3.6899 7.9748 120.5409 57.4660 41.4842 179.2868 233 F 4.1738 8.0870 117.3635 60.1609 39.0370 177.4402 234 Q 3.9164 8.1669 119.1894 58.9762 28.8159 178.2267 235 A 3.7124 8.0197 121.9218 55.0419 18.4281 179.2149 236 L 3.3219 7.2210 118.4560 58.1260 42.0199 179.4580 237 V 3.5184 7.8819 118.0965 66.0152 31.2986 177.6013 238 D 4.3570 7.9865 117.6240 57.5121 40.7857 178.1739 239 E 3.7406 7.8838 118.4035 59.3247 29.5546 178.7624 240 S 4.2086 7.9685 115.2774 61.0891 62.6992 176.1362 241 K 3.7974 8.4749 122.7916 58.8918 32.4049 178.0449 242 K 4.2677 7.3684 120.4156 55.3432 30.7482 177.0580 243 T 3.5512 7.9446 119.8755 63.2960 68.5569 172.5989 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 3 L 8.18 4.20 0.00 1.57 1.61 0.85 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.18 4.48 0.00 1.95 1.97 0.00 1.94 0.00 0.00 1.96 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.51 7.81 5 P 0.00 4.62 0.00 2.13 2.17 0.00 3.87 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 2.09 1.96 0.00 6 V 9.49 4.53 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.09 0.00 0.00 7 I 8.69 4.81 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.01 1.00 0.00 0.00 8 G 9.15 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 0.00 0.00 0.00 9 I 8.90 4.85 1.84 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 1.13 0.75 0.84 0.00 0.00 10 T 8.52 4.30 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 1.15 0.00 0.00 11 G 8.27 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 *30 Q 8.73 4.79 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 31 Q 8.11 4.08 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.69 0.00 32 R 7.88 4.32 0.00 1.69 2.07 0.00 3.41 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 33 Y 7.94 4.00 0.00 3.19 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 34 V 7.84 3.68 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 0.85 0.00 0.00 0.99 0.00 0.00 35 D 8.15 4.33 0.00 3.05 2.94 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 36 A 7.47 2.58 -0.30 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 37 I 7.30 3.69 1.83 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.65 0.91 0.00 0.00 38 Q 8.07 4.20 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 39 K 8.11 4.02 0.00 1.79 1.94 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.24 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.64 7.81 40 V 7.09 4.28 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 0.85 0.00 0.00 1.02 0.00 0.00 41 G 8.34 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.21 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 43 F 9.02 5.11 0.00 3.14 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 44 P 0.00 5.71 0.00 1.98 1.93 0.00 3.04 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 45 I 8.06 4.53 1.87 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 1.28 0.94 0.90 0.00 0.00 46 A 8.52 4.94 1.22 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 0.00 0.00 0.00 47 L 8.81 4.50 0.00 1.72 1.81 0.97 1.04 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 48 P 0.00 4.68 0.00 1.87 1.95 0.00 3.68 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 49 I 8.09 3.61 1.93 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 1.46 0.38 0.99 0.00 0.00 50 D 6.05 4.35 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 0.00 0.00 0.00 51 D 8.35 4.49 0.00 2.71 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.47 0.00 2.24 2.17 0.00 3.70 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 53 S 8.74 4.32 0.00 4.03 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 54 T 8.41 4.40 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 1.28 0.00 0.00 55 A 8.07 3.90 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 56 V 7.79 3.56 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 1.00 0.00 0.00 1.01 0.00 0.00 57 Q 8.05 3.96 0.00 2.07 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 58 A 8.31 4.22 1.48 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 0.00 0.00 59 I 7.93 3.73 1.87 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 1.75 0.85 0.92 0.00 0.00 60 S 7.77 4.12 0.00 4.02 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 61 L 7.73 4.23 0.00 1.98 1.82 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.35 4.52 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.07 0.00 0.00 63 D 9.19 4.92 0.00 2.62 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 64 G 7.89 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 65 L 8.93 5.27 0.00 1.80 1.70 0.97 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 66 L 9.16 5.12 0.00 1.85 1.64 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.64 4.68 0.00 1.57 1.50 0.91 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.12 4.16 3.34 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 -0.16 0.00 0.00 69 G 8.51 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 0.00 0.00 0.00 70 G 8.07 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 71 Q 8.15 4.45 0.00 2.07 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 72 D 8.26 4.69 0.00 2.77 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 73 I 8.23 4.63 1.94 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 1.60 0.51 1.03 0.00 0.00 74 T 8.76 3.03 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 1.45 0.00 0.00 75 P 0.00 3.37 0.00 1.99 2.03 0.00 2.56 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 76 Q 7.69 3.88 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 77 L 7.41 4.20 0.00 1.85 1.77 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 7.08 4.79 0.00 3.03 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 79 L 7.57 3.58 0.00 1.81 1.74 0.91 0.70 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 80 E 7.38 4.57 0.00 1.32 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 81 E 8.41 4.20 0.00 1.91 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 82 P 0.00 4.31 0.00 2.30 2.18 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 83 S 9.64 4.57 0.00 4.03 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 84 Q 8.67 4.05 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.34 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 85 E 7.60 4.50 0.00 2.17 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 2.34 2.58 0.00 86 I 7.53 4.22 2.16 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 1.47 0.97 1.18 0.00 0.00 87 G 8.87 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.64 4.49 1.23 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 0.00 0.00 89 Y 7.70 4.97 0.00 2.99 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 90 F 8.85 4.71 0.00 3.10 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 91 P 0.00 4.21 0.00 1.98 2.06 0.00 3.35 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.34 0.00 92 P 0.00 4.18 0.00 2.09 2.01 0.00 2.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.79 0.00 93 R 8.11 4.05 0.00 2.26 2.10 0.00 3.35 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.94 0.00 94 D 8.15 4.38 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.44 4.08 0.00 3.95 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 8.11 4.22 0.00 3.31 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 97 E 8.87 3.88 0.00 2.00 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 2.36 2.70 0.00 98 I 7.99 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 1.43 1.28 0.89 0.00 0.00 99 A 7.67 4.01 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 0.00 100 L 7.60 3.69 0.00 1.70 1.56 0.71 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.69 3.60 2.02 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 0.75 0.00 0.00 0.91 0.00 0.00 102 R 7.90 3.98 0.00 1.86 1.96 0.00 3.10 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 103 A 7.61 4.07 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 0.00 104 A 8.02 4.10 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 0.00 105 L 8.32 4.45 0.00 1.78 1.72 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 106 D 8.07 4.37 0.00 2.78 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 0.00 107 A 7.87 4.56 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 0.00 108 G 7.87 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 0.00 0.00 0.00 0.00 109 K 7.38 4.46 0.00 1.60 1.92 0.00 1.74 0.00 0.00 1.91 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.58 7.81 110 P 0.00 4.97 0.00 2.29 2.26 0.00 3.87 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 2.13 2.04 0.00 111 I 9.35 5.26 2.21 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.33 1.12 0.00 0.00 112 F 9.63 5.51 0.00 3.21 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 0.00 113 A 8.86 5.10 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 0.00 114 I 8.34 4.28 1.84 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 0.53 -0.24 0.81 0.00 0.00 115 C 9.05 4.04 0.00 2.77 2.23 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 0.00 116 R 9.34 3.96 0.00 1.89 2.05 0.00 3.36 0.00 0.00 3.42 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 117 G 8.41 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 *119 Q 8.16 4.12 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 120 L 8.02 3.88 0.00 1.67 1.72 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.76 3.41 1.84 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 0.17 0.00 0.00 0.86 0.00 0.00 122 N 7.71 3.84 0.00 2.54 2.76 0.00 0.00 6.84 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.66 3.66 2.02 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 1.06 0.00 0.00 0.70 0.00 0.00 124 A 8.16 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 0.00 125 L 7.44 4.62 0.00 1.66 1.82 0.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 126 G 7.88 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 0.00 0.00 0.00 127 G 8.00 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 0.00 128 T 8.72 4.75 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 1.17 0.00 0.00 129 L 7.32 5.02 0.00 1.69 1.29 0.96 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 9.59 4.33 0.00 3.11 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 0.00 131 Q 9.18 4.14 0.00 2.41 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 132 D 7.85 5.20 0.00 3.00 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 0.00 133 I 8.62 3.98 2.15 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 1.55 1.34 1.02 0.00 0.00 134 S 8.75 4.23 0.00 4.03 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 0.00 135 Q 8.01 4.27 0.00 2.44 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.86 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 136 V 7.19 3.34 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 0.35 0.00 0.00 0.01 0.00 0.00 137 E 8.97 4.09 0.00 1.96 2.02 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 2.36 2.44 0.00 138 T 7.35 4.33 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 0.00 139 K 8.51 3.75 0.00 1.71 1.75 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.37 7.81 140 A 8.19 4.37 1.10 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 0.00 141 L 8.57 4.42 0.00 1.60 1.63 0.93 0.97 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 0.00 142 Q 8.38 4.20 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 143 H 8.83 5.38 0.00 3.15 2.80 0.00 5.89 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.54 4.90 0.00 1.68 1.55 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 145 Q 8.47 4.46 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.50 0.00 0.00 0.00 0.00 0.00 2.65 2.40 0.00 146 R 8.21 4.44 0.00 1.80 1.99 0.00 3.21 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 147 V 7.64 3.72 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.92 0.00 0.00 148 D 8.54 4.28 0.00 2.78 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 0.00 149 E 8.98 3.91 0.00 2.09 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 2.26 2.34 0.00 150 Q 8.52 4.37 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.29 0.00 151 L 7.72 4.49 0.00 1.70 1.56 0.90 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 152 G 8.39 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 S 9.26 4.67 0.00 3.76 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 0.00 154 H 7.75 5.14 0.00 3.18 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 T 8.47 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 1.19 0.00 0.00 156 I 8.53 4.84 1.85 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.61 0.86 0.00 0.00 157 D 9.10 5.20 0.00 2.58 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 0.00 158 I 9.14 4.91 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 1.16 0.61 0.96 0.00 0.00 159 E 8.84 4.08 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 160 P 0.00 4.25 0.00 2.08 2.14 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 161 T 7.83 4.28 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 0.00 162 S 7.70 4.63 0.00 4.46 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 0.00 163 E 9.53 4.13 0.00 2.17 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 2.29 2.19 0.00 164 L 8.83 4.06 0.00 1.90 1.73 1.12 1.13 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 0.00 165 A 7.74 4.71 1.47 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 0.00 166 K 7.77 4.15 0.00 1.64 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.64 7.81 167 H 7.58 4.90 0.00 3.17 3.36 0.00 5.79 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 H 8.86 4.93 0.00 3.37 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 P 0.00 4.58 0.00 2.22 2.17 0.00 3.78 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 1.94 0.00 170 N 8.42 4.42 0.00 2.69 2.77 0.00 0.00 7.11 6.68 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 0.00 171 K 8.33 3.97 0.00 1.98 1.92 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.50 7.81 172 K 7.35 4.18 0.00 2.14 1.59 0.00 1.46 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.50 1.31 7.81 173 L 8.32 4.53 0.00 1.52 1.53 0.89 0.76 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 0.00 174 V 8.35 4.28 1.50 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 0.70 0.00 0.00 -0.95 0.00 0.00 175 N 8.47 5.05 0.00 2.90 2.98 0.00 0.00 5.79 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 0.00 176 S 9.39 4.69 0.00 3.77 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 0.00 177 L 8.31 4.99 0.00 1.59 1.53 0.78 1.05 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 0.00 178 H 8.96 4.97 0.00 3.01 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 H 8.62 4.85 0.00 3.19 3.47 0.00 5.40 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 Q 7.77 5.08 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 181 F 8.79 5.03 0.00 2.96 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 I 8.54 3.81 1.92 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 1.14 0.43 0.90 0.00 0.00 183 K 9.29 3.93 0.00 1.12 1.41 0.00 1.19 0.00 0.00 0.61 0.00 0.00 2.21 0.00 0.00 2.21 0.00 0.00 0.00 0.00 1.13 1.15 7.81 184 K 8.34 4.38 0.00 1.78 1.60 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.35 7.81 185 L 8.53 4.38 0.00 1.70 1.58 0.91 1.20 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 0.00 186 A 8.48 4.39 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 0.00 187 P 0.00 4.45 0.00 2.07 2.00 0.00 3.93 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 2.04 2.13 0.00 188 S 9.01 4.13 0.00 3.64 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 0.00 189 F 7.46 5.29 0.00 3.01 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 0.00 190 K 8.96 4.85 0.00 1.84 1.61 0.00 1.53 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.43 7.81 191 V 8.53 4.39 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 0.79 0.00 0.00 1.03 0.00 0.00 192 T 9.42 4.57 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 193 A 7.67 5.53 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 0.00 194 R 8.46 5.07 0.00 1.74 1.78 0.00 3.13 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 195 T 8.42 4.80 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 0.97 0.00 0.00 196 A 7.88 4.12 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 0.00 197 D 8.03 4.48 0.00 2.70 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 0.00 198 G 8.15 3.50 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 0.00 0.00 0.00 *200 I 7.39 4.13 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.64 0.95 0.00 0.00 201 E 9.23 4.90 0.00 2.06 2.43 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 2.38 2.50 0.00 202 A 7.92 4.90 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 0.00 203 V 9.10 4.82 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 0.94 0.00 0.00 204 E 9.40 5.09 0.00 1.87 1.71 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 1.95 2.10 0.00 205 G 8.19 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 D 8.25 4.31 0.00 2.64 2.44 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 0.00 207 N 8.68 4.19 0.00 2.84 2.84 0.00 0.00 6.94 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 0.00 208 L 7.23 4.77 0.00 1.69 1.49 0.93 0.33 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 0.00 209 P 0.00 4.37 0.00 2.39 2.35 0.00 3.57 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 2.07 1.98 0.00 210 S 7.62 5.00 0.00 3.85 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 0.00 211 W 8.87 4.56 0.00 3.43 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 0.00 212 Y 8.12 5.04 0.00 3.05 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 0.00 213 L 7.62 3.77 0.00 0.86 0.72 0.63 0.53 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 0.00 214 G 8.19 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 0.00 0.00 0.00 0.00 215 V 8.02 4.34 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 0.17 0.00 0.00 0.18 0.00 0.00 216 Q 9.73 4.00 0.00 2.19 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 217 W 7.41 4.99 0.00 3.86 3.35 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 0.00 218 H 9.19 4.81 0.00 3.21 3.71 0.00 5.66 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 P 0.00 4.82 0.00 2.63 2.56 0.00 3.76 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.86 0.00 220 E 8.57 4.33 0.00 1.76 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 0.00 1.47 2.45 0.00 221 L 8.42 4.43 0.00 1.87 1.69 0.90 0.71 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 *223 F 8.09 5.05 0.00 3.44 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 0.00 224 Q 6.60 3.90 0.00 1.67 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.00 0.00 0.00 0.00 0.00 0.00 1.81 1.16 0.00 225 T 7.55 4.52 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 1.16 0.00 0.00 226 D 7.66 4.68 0.00 2.76 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 0.00 227 P 0.00 4.32 0.00 2.23 2.17 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 228 E 8.19 4.07 0.00 2.10 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 2.40 2.40 0.00 229 S 8.60 4.45 0.00 4.30 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 0.00 230 E 8.16 4.25 0.00 2.42 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 0.00 2.39 2.41 0.00 231 Q 8.04 4.14 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 232 L 7.97 3.69 0.00 1.60 1.10 1.16 0.91 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 0.00 233 F 8.09 4.17 0.00 3.24 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 0.00 234 Q 8.17 3.92 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 235 A 8.02 3.71 1.23 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 0.00 0.00 236 L 7.22 3.32 0.00 1.71 1.87 1.06 1.66 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 0.00 237 V 7.88 3.52 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 0.96 0.00 0.00 0.96 0.00 0.00 238 D 7.99 4.36 0.00 2.58 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 0.00 239 E 7.88 3.74 0.00 1.16 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 1.47 2.12 0.00 240 S 7.97 4.21 0.00 4.07 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 0.00 241 K 8.47 3.80 0.00 1.71 1.98 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.53 7.81 242 K 7.37 4.27 0.00 1.71 1.78 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.55 1.60 7.81 243 T 7.94 3.55 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 1.26 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.