NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5114 8.3049 120.3457 54.8181 33.4906 174.1424 2 K 4.1210 8.6011 119.5782 56.4948 32.4523 176.3894 3 M 4.5127 8.8148 123.0408 55.4450 33.4242 177.5373 4 K 3.8584 8.1299 120.7649 59.9392 32.3119 178.0077 5 E 4.0432 8.3061 117.9276 59.3611 29.4081 179.0557 6 F 4.3028 8.4258 120.1587 61.4073 39.5931 176.9996 7 L 3.7266 8.6769 118.9393 57.6988 41.2997 179.3082 8 D 4.2878 8.1083 118.7659 57.3892 40.6950 178.7340 9 L 3.9142 7.7157 119.3224 57.7177 41.3833 179.3566 10 L 3.7454 7.4065 119.1197 58.1987 42.0571 178.4722 11 N 4.4940 8.0382 114.7148 55.1305 38.7216 176.3339 12 E 4.3147 7.9509 118.0486 55.5512 30.3588 176.0970 13 S 4.4214 7.1358 115.0995 57.6363 63.2911 174.2102 14 R 4.0743 8.5573 126.4492 58.4354 30.4579 176.5900 15 L 4.6211 8.0854 120.0724 53.8429 45.3909 175.1864 16 T 5.1103 8.6110 122.9191 61.8901 71.4434 173.7918 17 V 4.8404 8.7001 118.4349 59.7374 36.1541 174.4515 18 T 5.0272 8.3480 116.5173 60.2321 71.1472 172.1805 19 L 5.3188 8.9283 129.9263 53.4314 44.7808 175.0650 20 T 5.0964 9.0639 116.7114 60.1026 72.2230 173.5426 21 G 4.6958 8.4697 109.8335 44.3948 0.0000 172.6703 22 A 4.1248 8.9419 121.1705 55.3746 18.3465 180.2896 23 G 3.6694 8.4046 102.0722 47.6058 0.0000 174.9840 24 I 3.9712 7.6513 119.1079 62.5046 38.4306 176.7616 25 S 4.6848 8.0337 114.9994 59.5249 63.7062 176.0859 26 T 4.6911 7.8013 114.0060 63.9605 68.0947 174.3340 27 P 4.3780 0.0000 0.0000 64.5051 31.4307 177.0088 28 S 4.4560 7.8751 112.5835 58.3815 62.8735 174.9390 29 G 3.8817 8.3373 108.9380 45.2582 0.0000 173.4468 30 I 4.2551 7.4110 121.4001 58.6029 37.8840 173.8386 31 P 4.5850 0.0000 0.0000 62.7506 31.8396 175.5255 32 D 4.5724 8.1823 119.4404 52.8719 43.1502 174.0308 *45 Q 4.2605 8.0343 116.6941 57.1346 29.7452 173.5432 46 N 4.1053 7.5033 117.1786 53.5563 40.9495 176.1868 47 V 3.0493 7.7211 117.1476 63.5565 31.8083 177.0544 48 F 5.0912 8.1670 117.3616 57.4443 39.3608 174.3461 49 D 5.3030 8.2181 122.3602 53.3147 42.7039 177.2476 50 I 3.2208 8.6300 124.4240 64.1138 37.9570 178.0500 51 D 4.4782 8.1467 119.6288 56.4159 39.3006 178.1885 52 F 4.0489 8.2653 121.6616 60.8096 39.5539 176.6328 53 F 3.8391 8.1673 120.2898 61.5809 38.8510 176.8382 54 Y 4.0252 7.2016 114.7571 60.8596 37.6479 178.3487 55 S 4.1329 7.9314 115.6005 60.6183 64.5966 174.6254 56 H 4.8855 7.6666 117.6447 52.6558 28.9331 172.2667 57 P 4.0131 0.0000 0.0000 65.1612 31.6426 178.4372 58 E 4.3937 8.0822 118.2370 58.6480 29.3717 178.9995 59 E 4.0262 8.0848 118.9496 59.2117 29.7384 178.6009 60 F 4.3041 8.2468 120.7234 61.9001 39.1520 176.7480 61 Y 4.2025 8.4563 115.6123 60.2120 37.4318 178.2090 62 R 3.9634 7.6744 119.2659 59.4635 30.6024 177.9309 63 F 4.2054 8.3907 120.2842 61.0894 39.2162 176.9057 64 A 3.1004 7.4873 120.4769 54.5924 17.7673 179.6644 65 K 4.1950 7.3434 115.7795 58.7195 32.1708 177.5498 66 E 4.5974 7.7244 114.7150 55.6101 31.1038 176.2217 67 G 3.5022 7.3324 106.1166 44.4396 0.0000 173.8489 68 I 4.1819 7.2225 118.5909 62.9412 38.9222 177.6315 69 F 4.5534 7.3998 117.7433 60.6116 38.7847 175.9429 70 P 4.3810 0.0000 0.0000 65.4469 31.2316 177.7448 71 M 4.3496 8.0565 114.3785 56.7015 30.9380 178.0956 72 L 4.1582 7.9797 120.3013 57.4047 41.9291 178.1596 73 Q 4.2509 7.8731 115.8462 55.4319 29.4182 176.0905 74 A 4.1186 7.2488 123.7180 52.1370 19.0337 176.9677 75 K 4.6510 8.2045 120.9348 53.4911 34.6107 174.8134 76 P 4.2729 0.0000 0.0000 62.7905 32.1122 176.0078 77 N 4.9939 8.5407 118.0066 51.1600 41.1582 174.9184 78 L 3.9377 8.4475 119.9243 58.5175 42.0045 178.9423 79 A 3.9957 8.2147 120.7011 55.3812 18.4225 179.3195 80 H 4.1596 8.2442 114.2570 58.9645 28.8428 177.9525 81 V 3.5904 7.9198 119.9884 65.9480 31.3194 177.5688 82 L 3.9536 8.2802 120.3935 58.3600 41.8822 178.9341 83 L 4.0214 7.9217 118.1320 57.7934 41.6027 179.4087 84 A 4.0281 7.9064 120.4085 55.2176 18.4463 179.9060 85 K 3.9890 8.5541 117.4405 59.4809 32.0593 179.6842 86 L 4.0180 8.4130 119.8850 57.6470 41.4784 179.0639 87 E 4.1694 8.2231 120.6615 58.8150 29.3672 178.5332 88 E 3.9463 7.9674 118.1161 58.8345 29.7718 177.9972 89 K 4.3589 7.7514 115.6844 55.8041 32.3447 177.3903 90 G 3.9072 7.8730 107.3803 46.3337 0.0000 174.8895 91 L 4.3244 8.4722 120.0416 55.2753 41.9407 177.1442 92 I 4.7739 7.1978 111.8077 59.0839 40.5580 175.3648 93 E 4.1624 9.5371 125.1128 59.1336 30.1636 175.9086 94 A 4.6403 7.5690 118.2852 51.1979 23.1400 175.0152 95 V 4.4058 8.6786 119.3796 61.2328 34.2068 174.2751 96 I 4.7560 8.8839 129.2543 59.8702 39.4357 174.6685 97 T 5.0515 8.8965 121.4513 60.5620 70.6555 174.0248 98 Q 4.1753 8.8139 124.8983 56.1620 29.5326 175.9245 99 N 4.5957 8.2307 117.8373 52.7369 39.5943 175.0528 100 I 4.5359 8.2785 113.1338 59.9595 38.2974 176.5367 101 D 4.4563 7.9661 119.9337 54.0419 39.9855 176.5723 102 R 4.1481 8.0136 117.1378 56.3133 28.1182 177.9530 103 L 3.9804 8.3620 121.1623 57.8544 41.3473 179.1051 104 H 4.2557 8.0104 116.0794 59.0188 28.3620 177.6628 105 Q 4.2343 8.0396 119.3811 58.9582 28.4237 178.7044 106 R 4.0469 7.8107 117.5746 58.5068 30.1499 178.0047 107 A 4.3645 7.4729 118.2527 52.0468 19.0509 177.8599 108 G 4.0486 7.7667 104.9265 44.9501 0.0000 174.5473 109 S 4.4238 7.8592 116.7110 58.5910 63.3945 174.2599 110 K 4.1517 9.3866 124.7354 57.6948 32.8150 176.7100 111 K 4.3702 8.2479 122.4388 54.7093 32.2993 174.3837 112 V 4.7538 8.0808 125.1847 60.7671 34.1760 174.1847 113 I 4.2645 9.1533 129.7377 59.9248 38.9255 174.9348 114 E 4.6566 8.6815 128.0821 54.9484 28.7641 176.1143 115 L 4.0291 8.5055 126.1202 56.5999 42.5029 178.2342 116 H 4.7640 7.9970 114.6435 55.1927 29.5481 175.7219 117 G 3.7762 8.9392 109.5784 45.4520 0.0000 172.6289 118 N 4.9941 8.2963 116.0453 52.1822 40.2062 174.6552 119 V 4.1411 8.2917 111.7124 61.8983 31.9637 176.8904 120 E 4.6104 8.6775 121.5253 57.5699 31.3244 175.9544 121 E 5.1121 8.3875 118.5329 55.4700 31.7784 175.0782 122 Y 5.3767 9.1120 119.9741 57.1071 43.2502 173.4894 123 Y 5.5650 8.6566 116.8453 56.2495 42.0194 173.2517 124 C 4.8562 9.3478 122.9857 59.3932 32.0777 175.1425 125 V 3.8390 8.8434 126.6960 64.3943 30.5950 176.5614 126 R 4.1461 7.3826 121.2010 57.7207 29.7121 175.8768 127 C 4.3448 8.0110 111.7971 58.1531 30.8408 174.7642 128 E 4.2335 8.4368 118.8566 56.9301 27.2829 174.0891 129 K 4.0587 7.5531 121.8264 57.0004 33.0825 176.2465 130 K 4.9273 8.6196 126.6034 56.7825 33.1218 175.8302 131 Y 4.9523 9.3694 120.8026 56.7829 43.0086 174.5226 132 T 5.1140 9.0348 112.1539 60.3681 71.3222 176.2529 133 V 3.5148 8.6478 122.7761 65.1081 31.2897 178.4338 134 E 3.9046 8.1081 118.4452 58.7330 29.2708 178.8393 135 D 4.3043 7.8693 119.2924 57.3077 40.8563 178.7809 136 V 3.2817 7.4707 118.7248 65.9338 31.1767 178.0948 137 I 3.2625 7.1153 118.5179 63.8673 37.1262 178.0185 138 K 4.1313 7.7637 120.4141 59.5932 32.0814 179.0401 139 K 3.9351 8.0931 118.8664 59.2920 31.7529 178.7556 140 L 4.4951 7.6633 117.9535 55.6359 41.5389 178.3457 141 E 4.3137 7.8255 118.9699 57.6546 29.5845 177.0466 142 S 4.6923 7.5098 112.5658 57.3128 63.9458 173.4221 143 S 4.5244 7.5109 112.3100 58.5860 64.2884 175.9010 144 D 4.5744 8.3083 123.5140 55.0484 39.9778 176.5908 145 V 4.4411 7.2598 112.7831 58.8242 35.9380 172.4157 146 P 4.3109 0.0000 0.0000 62.6758 32.3074 174.9907 147 L 5.1558 8.1153 123.4257 52.4649 44.7411 175.9103 148 C 4.2160 9.1561 123.5135 59.7997 32.5540 173.7589 149 D 4.7435 9.2321 124.4303 55.0534 40.8392 176.3365 150 D 4.8063 8.2359 118.1218 55.7642 42.1761 176.9802 151 C 4.6242 7.8677 110.4009 57.0413 30.3117 173.5940 152 N 5.2980 8.1502 115.7964 54.1563 37.1401 173.7564 153 S 4.6317 7.2965 112.8907 56.6975 65.2570 173.0068 154 L 4.5058 8.3782 122.8481 55.4741 43.0129 175.3588 155 I 4.8735 8.5381 127.7816 60.0284 38.3319 175.3426 156 R 5.3435 9.1978 123.6297 52.5145 32.7632 173.4644 157 P 3.4668 0.0000 0.0000 61.7657 32.3135 176.0542 158 N 5.0904 8.4864 122.2470 53.4421 37.0716 173.9342 159 I 4.8149 7.1618 112.1615 58.9844 41.4608 177.1061 160 V 4.0088 8.2059 124.9286 62.1889 31.7631 175.8392 161 F 4.3592 9.3446 127.4586 56.5099 40.7389 175.6687 162 F 4.2901 9.1151 120.7894 59.3468 39.1570 176.9115 163 G 4.1412 9.3750 112.9989 45.1710 0.0000 172.9011 164 E 4.7939 7.5946 118.2067 54.3446 31.9047 175.4876 165 N 4.6630 8.4414 118.5200 52.8280 39.4893 175.5700 166 L 4.2869 8.2320 121.8911 53.2655 42.8508 175.7059 167 P 4.2807 0.0000 0.0000 63.4705 31.9701 177.2623 168 Q 4.0125 8.7514 121.9953 58.9699 28.7926 178.5322 169 D 4.3030 8.0584 119.1250 57.2606 40.8808 178.4830 170 A 3.9614 7.9054 120.6913 55.0743 18.4842 179.2007 171 L 3.8652 7.9446 118.7661 58.4582 42.1165 179.3916 172 R 3.9646 8.1875 118.1169 59.2390 29.9227 178.7184 173 E 3.9120 8.3695 118.9207 59.0199 29.5386 178.7024 174 A 3.9389 8.2840 121.1749 55.2023 18.4348 179.6094 175 I 3.7028 8.2573 118.8326 64.4628 37.2878 178.8143 176 G 3.6442 8.3863 106.8410 47.9541 0.0000 175.7215 177 L 4.0352 8.0980 121.7517 57.5740 41.5609 179.8429 178 S 4.1569 8.3934 115.7068 61.4784 62.4979 176.8857 179 S 4.1753 8.1246 116.4008 61.0591 62.9360 176.1051 180 R 4.1885 7.7167 119.2646 56.2747 30.5467 176.9011 181 A 4.2441 7.4552 122.6120 52.2707 19.0136 177.4936 182 S 4.5325 8.9164 116.7773 59.4070 64.9807 173.7566 183 L 5.0568 7.6747 123.1244 53.8199 45.5750 173.8292 184 M 5.1118 9.3955 126.7234 53.8118 34.8920 174.1791 185 I 4.9982 8.7215 127.2065 59.6703 40.0829 174.6332 186 V 4.5322 8.7882 128.6564 61.6496 33.3974 174.6976 187 L 4.8429 8.7748 127.6302 53.1647 45.2045 176.9864 188 G 3.8869 9.2632 113.8739 46.5333 0.0000 172.3155 189 S 4.8574 7.8886 112.8373 55.9952 64.7936 174.0767 190 S 4.2213 8.8167 123.0279 59.2391 63.2274 173.7384 191 L 3.6337 7.5348 119.0002 56.5453 39.0641 175.1988 192 V 4.3957 7.7755 108.0643 60.8325 33.9069 176.1200 193 V 4.4562 7.6205 120.9124 61.3487 32.7079 174.2617 194 Y 4.9114 8.6804 124.6392 56.0483 40.1353 174.3876 195 P 4.7648 0.0000 0.0000 63.6574 31.9080 177.7534 196 A 3.9218 8.0343 121.5072 55.5563 17.9986 179.3923 197 A 3.8146 7.6462 118.0367 54.5232 18.6043 178.7454 198 E 3.9603 7.8981 115.8502 57.0568 29.9215 178.4634 199 L 3.8994 7.5258 120.1316 57.4139 41.8394 177.5699 200 P 4.1707 0.0000 0.0000 65.2410 31.1638 178.4354 201 L 3.8645 7.2444 118.9183 57.9669 42.0231 178.8974 202 I 3.6852 7.5723 119.9519 64.4501 36.9478 178.4835 203 T 4.2286 7.6767 117.7118 66.1034 68.3478 176.8156 204 V 3.8451 7.4552 120.8603 65.7437 31.4066 178.3331 205 R 4.0042 7.9439 116.2462 59.0601 29.9431 178.5329 206 S 4.4326 7.7486 113.1246 58.4688 63.1866 174.6539 207 G 3.9684 7.6932 108.5963 45.0045 0.0000 174.1055 208 G 4.0254 8.4040 108.3450 45.2795 0.0000 172.9610 209 K 4.7049 8.9965 119.0793 54.6188 35.1190 175.7094 210 L 5.2260 8.3491 123.5712 53.3271 45.2215 174.9806 211 V 4.9797 9.1014 126.3829 61.1639 34.5305 174.0094 212 I 4.8279 8.8564 128.4740 59.4411 40.3770 174.6142 213 V 4.6146 8.7751 127.3620 61.4637 33.5666 173.6212 214 N 4.9520 8.6463 125.8959 52.3594 42.8687 173.6289 215 L 4.8711 8.6253 128.7691 53.1765 40.6687 174.8055 216 G 4.3184 8.0428 108.7086 42.2090 0.0000 171.1988 217 E 4.3723 8.2535 121.0454 56.3440 30.3600 176.6736 218 T 4.7533 8.6833 110.3005 59.1868 71.8030 173.3159 219 P 4.2686 0.0000 0.0000 64.3877 31.4673 177.1127 220 F 5.0962 7.8037 115.7053 56.2455 39.8955 176.8874 221 D 4.4743 8.1265 124.2465 57.2981 40.5611 178.5663 222 D 4.3758 8.2965 118.7694 55.9379 39.2903 177.6051 223 I 4.2246 7.5207 109.9753 60.3976 38.1917 175.4459 224 A 4.3912 7.6332 125.5621 52.4493 18.8955 178.0448 225 T 4.2337 8.9850 120.4607 66.0335 69.3926 175.4968 226 L 4.7320 7.8031 120.0203 52.8159 46.4171 175.4120 227 K 4.7965 8.4514 123.6886 54.9929 34.9349 174.9137 228 Y 4.2893 9.1870 127.0165 56.5595 39.3475 174.5140 229 N 5.8990 8.8811 125.3059 51.3872 37.5935 173.1405 230 M 4.7886 7.7186 119.7022 53.3714 35.0931 174.1976 231 D 4.4087 8.6427 118.5859 54.0467 42.0921 176.8500 232 V 3.5745 8.5829 125.7096 66.1965 31.4048 178.3882 233 V 3.5675 7.8150 117.4282 65.9850 31.4985 177.4534 234 E 3.8995 8.8385 119.4557 59.0812 29.4472 178.5529 235 F 3.9657 8.5232 120.7309 61.2291 39.5036 176.8831 236 A 3.8053 8.3666 120.7444 55.0652 18.0987 179.5250 237 R 3.7654 8.1739 117.3407 59.7290 30.0942 178.9821 238 R 3.8099 7.8099 117.7808 59.0924 29.8902 179.2496 239 V 3.3775 7.3660 117.9963 66.1743 31.4098 178.0820 240 M 4.0172 7.9259 118.3903 58.3224 31.6386 178.5847 241 E 3.9165 8.2319 118.6873 59.6953 29.5473 179.4458 242 E 3.9949 8.3592 117.4589 58.7163 29.6729 178.3380 243 G 3.7750 8.2572 106.1056 44.7511 0.0000 173.5480 244 G 3.8401 7.4280 107.6911 46.6779 0.0000 173.8467 245 I 4.3146 7.9431 120.1006 59.5134 38.7794 176.7103 246 S 4.3752 8.5804 120.0914 58.7121 62.8682 174.0258 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 M 8.30 4.51 0.00 2.28 2.49 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 2 K 8.60 4.12 0.00 1.92 1.85 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.57 7.81 3 M 8.81 4.51 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 4 K 8.13 3.86 0.00 1.86 1.89 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.58 7.81 5 E 8.31 4.04 0.00 2.22 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 2.46 2.44 0.00 6 F 8.43 4.30 0.00 3.36 3.32 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 7 L 8.68 3.73 0.00 1.81 1.65 0.95 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.11 4.29 0.00 2.84 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 9 L 7.72 3.91 0.00 1.78 1.68 1.02 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.41 3.75 0.00 0.98 1.53 0.86 0.78 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 11 N 8.04 4.49 0.00 2.68 2.81 0.00 0.00 7.06 7.22 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 12 E 7.95 4.31 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.54 0.00 13 S 7.14 4.42 0.00 3.86 3.71 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 14 R 8.56 4.07 0.00 1.83 1.95 0.00 3.37 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 15 L 8.09 4.62 0.00 1.69 1.45 0.91 0.71 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 16 T 8.61 5.11 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 17 V 8.70 4.84 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 0.68 0.00 0.00 0.91 0.00 0.00 18 T 8.35 5.03 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 19 L 8.93 5.32 0.00 1.69 1.41 0.89 0.83 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 20 T 9.06 5.10 4.29 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 1.21 0.00 0.00 21 G 8.47 4.70 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 0.00 0.00 0.00 22 A 8.94 4.12 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 23 G 8.40 3.67 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 0.00 0.00 0.00 24 I 7.65 3.97 1.83 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 1.20 0.75 1.00 0.00 0.00 25 S 8.03 4.68 0.00 3.90 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 26 T 7.80 4.69 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 1.27 0.00 0.00 27 P 0.00 4.38 0.00 2.05 2.16 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 28 S 7.88 4.46 0.00 4.04 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 49 D 8.22 5.30 0.00 3.00 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 50 I 8.63 3.22 1.92 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.23 1.04 0.00 0.00 51 D 8.15 4.48 0.00 2.98 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 52 F 8.27 4.05 0.00 3.23 3.40 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 53 F 8.17 3.84 0.00 2.36 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.20 4.03 0.00 2.93 2.78 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 55 S 7.93 4.13 0.00 3.54 3.46 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 56 H 7.67 4.89 0.00 2.17 3.00 0.00 5.63 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.01 0.00 2.20 1.83 0.00 3.78 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 1.99 1.73 0.00 58 E 8.08 4.39 0.00 2.24 2.42 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 2.39 2.23 0.00 59 E 8.08 4.03 0.00 2.17 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 2.40 2.34 0.00 60 F 8.25 4.30 0.00 3.43 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 61 Y 8.46 4.20 0.00 3.23 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 62 R 7.67 3.96 0.00 2.06 2.26 0.00 3.35 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 63 F 8.39 4.21 0.00 3.08 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 64 A 7.49 3.10 0.55 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 65 K 7.34 4.19 0.00 1.89 1.98 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.78 1.89 7.81 66 E 7.72 4.60 0.00 1.78 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 2.17 2.22 0.00 67 G 7.33 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 68 I 7.22 4.18 1.38 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.30 0.95 0.00 0.00 69 F 7.40 4.55 0.00 3.04 2.98 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 70 P 0.00 4.38 0.00 2.14 2.11 0.00 3.54 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 71 M 8.06 4.35 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.86 0.00 72 L 7.98 4.16 0.00 1.79 1.82 1.02 0.82 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 73 Q 7.87 4.25 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.83 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 74 A 7.25 4.12 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 75 K 8.20 4.65 0.00 1.73 1.71 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.39 7.81 76 P 0.00 4.27 0.00 2.17 2.13 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 77 N 8.54 4.99 0.00 3.01 3.03 0.00 0.00 5.71 6.67 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 78 L 8.45 3.94 0.00 1.77 1.71 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.21 4.00 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 80 H 8.24 4.16 0.00 3.38 3.35 0.00 5.83 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 81 V 7.92 3.59 2.25 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 1.02 0.00 0.00 1.04 0.00 0.00 82 L 8.28 3.95 0.00 1.82 1.86 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.92 4.02 0.00 2.02 1.74 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 84 A 7.91 4.03 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 85 K 8.55 3.99 0.00 1.94 1.88 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.61 7.81 86 L 8.41 4.02 0.00 1.83 1.74 1.03 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.22 4.17 0.00 2.05 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 2.31 2.18 0.00 88 E 7.97 3.95 0.00 2.18 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 2.32 2.50 0.00 89 K 7.75 4.36 0.00 1.93 1.82 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.64 7.81 90 G 7.87 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.17 2.33 0.00 99 N 8.23 4.60 0.00 2.71 2.86 0.00 0.00 6.83 7.13 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 0.00 100 I 8.28 4.54 1.89 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 1.01 1.24 0.87 0.00 0.00 101 D 7.97 4.46 0.00 2.77 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 0.00 102 R 8.01 4.15 0.00 2.02 2.03 0.00 3.58 0.00 0.00 3.48 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 103 L 8.36 3.98 0.00 1.50 1.20 0.86 1.27 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 0.00 104 H 8.01 4.26 0.00 3.18 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.04 4.23 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 106 R 7.81 4.05 0.00 1.93 1.98 0.00 3.13 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 107 A 7.47 4.36 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.77 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 0.00 0.00 0.00 109 S 7.86 4.42 0.00 4.07 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 9.39 4.15 0.00 1.72 1.85 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.36 7.81 111 K 8.25 4.37 0.00 1.88 1.79 0.00 1.44 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.39 7.81 112 V 8.08 4.75 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 0.87 0.00 0.00 0.93 0.00 0.00 113 I 9.15 4.26 1.83 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 1.20 0.61 0.88 0.00 0.00 114 E 8.68 4.66 0.00 1.82 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 115 L 8.51 4.03 0.00 1.29 1.62 0.81 0.99 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 0.00 116 H 8.00 4.76 0.00 3.15 3.03 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.94 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 0.00 118 N 8.30 4.99 0.00 2.78 3.03 0.00 0.00 6.89 8.36 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 0.00 119 V 8.29 4.14 2.25 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 0.75 0.00 0.00 1.04 0.00 0.00 120 E 8.68 4.61 0.00 2.16 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 2.35 2.35 0.00 121 E 8.39 5.11 0.00 1.99 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 2.43 2.42 0.00 122 Y 9.11 5.38 0.00 3.21 2.98 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 0.00 123 Y 8.66 5.56 0.00 3.41 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 0.00 124 C 9.35 4.86 0.00 3.25 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 0.00 125 V 8.84 3.84 2.25 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 0.87 0.00 0.00 1.09 0.00 0.00 126 R 7.38 4.15 0.00 1.82 1.91 0.00 3.31 0.00 0.00 3.30 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 127 C 8.01 4.34 0.00 3.20 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.44 4.23 0.00 2.24 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 2.30 2.34 0.00 129 K 7.55 4.06 0.00 2.15 1.96 0.00 1.84 0.00 0.00 1.86 0.00 0.00 2.88 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.16 1.36 7.81 130 K 8.62 4.93 0.00 1.67 1.78 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.51 1.50 7.81 131 Y 9.37 4.95 0.00 2.98 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 0.00 132 T 9.03 5.11 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 133 V 8.65 3.51 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 0.91 0.00 0.00 1.23 0.00 0.00 134 E 8.11 3.90 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 2.31 2.35 0.00 135 D 7.87 4.30 0.00 3.03 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 0.00 136 V 7.47 3.28 1.65 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 0.81 0.00 0.00 0.23 0.00 0.00 137 I 7.12 3.26 1.69 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 -0.08 0.64 0.00 0.00 138 K 7.76 4.13 0.00 1.91 1.98 0.00 1.48 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.48 7.81 139 K 8.09 3.94 0.00 1.79 1.70 0.00 1.43 0.00 0.00 1.43 0.00 0.00 2.83 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.37 1.53 7.81 140 L 7.66 4.50 0.00 1.69 1.72 1.12 0.99 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 0.00 141 E 7.83 4.31 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 142 S 7.51 4.69 0.00 3.91 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 0.00 143 S 7.51 4.52 0.00 3.77 3.74 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 0.00 144 D 8.31 4.57 0.00 2.90 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 7.26 4.44 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 0.81 0.00 0.00 0.92 0.00 0.00 146 P 0.00 4.31 0.00 1.82 1.83 0.00 3.18 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.32 0.00 147 L 8.12 5.16 0.00 1.46 1.55 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 148 C 9.16 4.22 0.00 3.03 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 0.00 149 D 9.23 4.74 0.00 2.85 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 0.00 150 D 8.24 4.81 0.00 2.71 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 C 7.87 4.62 0.00 3.09 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 0.00 152 N 8.15 5.30 0.00 2.85 2.91 0.00 0.00 7.37 7.63 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 0.00 153 S 7.30 4.63 0.00 3.76 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.38 4.51 0.00 1.80 1.60 1.03 0.74 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 0.00 155 I 8.54 4.87 1.87 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.66 0.96 0.00 0.00 156 R 9.20 5.34 0.00 1.47 2.23 0.00 3.03 0.00 0.00 3.19 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 157 P 0.00 3.47 0.00 1.77 1.71 0.00 3.16 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 158 N 8.49 5.09 0.00 3.07 2.87 0.00 0.00 6.79 7.95 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 0.00 159 I 7.16 4.81 1.61 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.17 0.81 0.00 0.00 160 V 8.21 4.01 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 0.71 0.00 0.00 0.93 0.00 0.00 161 F 9.34 4.36 0.00 3.00 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 0.00 162 F 9.12 4.29 0.00 3.42 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 G 9.37 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 0.00 164 E 7.59 4.79 0.00 2.29 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 2.35 2.34 0.00 165 N 8.44 4.66 0.00 2.73 2.77 0.00 0.00 7.00 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 0.00 166 L 8.23 4.29 0.00 1.63 1.61 0.95 1.07 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 0.00 167 P 0.00 4.28 0.00 2.25 2.20 0.00 3.84 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 168 Q 8.75 4.01 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 169 D 8.06 4.30 0.00 2.67 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 0.00 170 A 7.91 3.96 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 0.00 171 L 7.94 3.87 0.00 1.78 1.81 0.92 0.79 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 0.00 172 R 8.19 3.96 0.00 2.05 1.96 0.00 3.18 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 173 E 8.37 3.91 0.00 2.13 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 2.31 0.00 174 A 8.28 3.94 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 0.00 175 I 8.26 3.70 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 1.44 0.71 0.90 0.00 0.00 176 G 8.39 3.64 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 0.00 0.00 0.00 177 L 8.10 4.04 0.00 1.82 1.71 0.90 0.78 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 0.00 178 S 8.39 4.16 0.00 3.93 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 0.00 179 S 8.12 4.18 0.00 4.01 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 0.00 180 R 7.72 4.19 0.00 1.82 2.01 0.00 3.16 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.00 181 A 7.46 4.24 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 0.00 182 S 8.92 4.53 0.00 3.89 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 0.00 183 L 7.67 5.06 0.00 1.73 1.48 1.00 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 0.00 184 M 9.40 5.11 0.00 2.09 1.85 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 185 I 8.72 5.00 1.94 0.00 0.00 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 1.32 0.77 0.95 0.00 0.00 186 V 8.79 4.53 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 0.77 0.00 0.00 0.88 0.00 0.00 187 L 8.77 4.84 0.00 1.50 1.44 0.93 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 188 G 9.26 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 S 7.89 4.86 0.00 3.84 3.67 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 0.00 190 S 8.82 4.22 0.00 3.92 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 L 7.53 3.63 0.00 1.97 1.90 1.02 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 192 V 7.78 4.40 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 0.75 0.00 0.00 0.98 0.00 0.00 193 V 7.62 4.46 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 1.15 0.00 0.00 1.11 0.00 0.00 194 Y 8.68 4.91 0.00 3.02 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 0.00 195 P 0.00 4.76 0.00 2.32 2.39 0.00 3.79 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 2.10 2.08 0.00 196 A 8.03 3.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 A 7.65 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 E 7.90 3.96 0.00 2.20 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 2.50 2.60 0.00 199 L 7.53 3.90 0.00 1.68 1.63 0.85 0.84 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 0.00 200 P 0.00 4.17 0.00 1.80 1.96 0.00 3.31 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 201 L 7.24 3.86 0.00 1.29 1.67 0.99 1.20 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 0.00 202 I 7.57 3.69 1.99 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 1.50 0.54 0.91 0.00 0.00 203 T 7.68 4.23 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 1.25 0.00 0.00 204 V 7.46 3.85 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 1.29 0.00 0.00 0.98 0.00 0.00 205 R 7.94 4.00 0.00 1.87 1.99 0.00 3.39 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 206 S 7.75 4.43 0.00 3.98 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 0.00 207 G 7.69 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 0.00 208 G 8.40 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 K 9.00 4.70 0.00 1.68 1.74 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.37 7.81 210 L 8.35 5.23 0.00 1.72 1.49 0.94 0.73 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 0.00 211 V 9.10 4.98 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.19 0.00 0.00 212 I 8.86 4.83 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 1.11 0.52 0.89 0.00 0.00 213 V 8.78 4.61 1.69 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 0.29 0.00 0.00 -0.44 0.00 0.00 214 N 8.65 4.95 0.00 2.75 2.55 0.00 0.00 6.55 6.72 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 0.00 215 L 8.63 4.87 0.00 1.81 1.58 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 216 G 8.04 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 0.00 0.00 0.00 0.00 217 E 8.25 4.37 0.00 1.96 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 0.00 2.30 2.29 0.00 218 T 8.68 4.75 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 1.27 0.00 0.00 219 P 0.00 4.27 0.00 1.49 1.85 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 220 F 7.80 5.10 0.00 3.08 2.98 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 0.00 221 D 8.13 4.47 0.00 2.69 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 D 8.30 4.38 0.00 2.83 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 0.00 223 I 7.52 4.22 1.93 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 1.50 0.81 1.00 0.00 0.00 224 A 7.63 4.39 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 0.00 225 T 8.98 4.23 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 226 L 7.80 4.73 0.00 1.72 1.55 1.22 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 227 K 8.45 4.80 0.00 1.65 1.58 0.00 1.84 0.00 0.00 1.81 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.44 7.81 228 Y 9.19 4.29 0.00 2.58 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 0.00 229 N 8.88 5.90 0.00 2.72 2.74 0.00 0.00 7.14 7.65 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 0.00 230 M 7.72 4.79 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 231 D 8.64 4.41 0.00 2.79 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 V 8.58 3.57 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.89 0.00 0.00 233 V 7.81 3.57 2.30 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 1.06 0.00 0.00 0.96 0.00 0.00 234 E 8.84 3.90 0.00 2.12 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 0.00 2.33 2.38 0.00 235 F 8.52 3.97 0.00 3.05 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 0.00 236 A 8.37 3.81 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 0.00 237 R 8.17 3.77 0.00 1.94 2.05 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 238 R 7.81 3.81 0.00 1.73 1.79 0.00 3.30 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 239 V 7.37 3.38 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.01 0.00 0.00 240 M 7.93 4.02 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 241 E 8.23 3.92 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 242 E 8.36 3.99 0.00 2.00 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 2.40 2.38 0.00 243 G 8.26 3.77 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 0.00 0.00 0.00 244 G 7.43 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 0.00 245 I 7.94 4.31 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 1.29 0.77 0.91 0.00 0.00 246 S 8.58 4.38 0.00 3.85 3.76 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 * Residues marked with a * may have inaccurate shift predictions.