NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 G 3.9077 8.2085 109.7380 45.1017 0.0000 174.9092 -3 A 3.8198 8.6099 124.7974 54.3863 18.7354 176.9139 -2 M 4.4724 8.1801 114.0993 55.4034 33.3235 176.6221 -1 G 3.6755 8.0767 109.7585 48.0905 0.0000 174.9692 0 S 4.4419 7.9908 111.9808 58.5778 63.7963 173.3464 1 M 4.4707 7.7163 121.7371 53.8723 33.4701 176.0058 2 E 4.0819 8.5690 124.9124 56.3839 31.6051 178.0222 3 R 3.8661 8.6871 122.1938 59.9232 30.0838 178.8668 4 A 4.0233 7.9309 119.7176 55.2138 18.3219 179.6529 5 S 4.0066 7.9503 113.3541 61.5250 62.8624 176.6646 6 L 3.7706 8.0527 121.8775 57.6805 41.3420 179.5946 7 I 3.6707 7.7214 119.7510 64.3624 37.0585 178.1964 8 Q 3.8864 8.1086 120.4066 59.3037 28.8847 178.6563 9 K 3.7796 8.0902 119.3946 58.9073 31.8148 179.1680 10 A 4.2330 8.0433 121.5487 55.3077 18.3740 179.8833 11 K 3.9764 8.0626 116.9237 59.4419 32.1103 179.6756 12 L 3.9528 7.9666 119.1789 57.7233 41.4796 179.3540 13 A 3.9986 8.5175 121.1704 54.9958 18.3204 179.1707 14 E 3.6788 8.3284 117.8343 59.7078 29.5209 179.1960 15 Q 4.0195 7.7984 116.1540 58.5888 28.8519 177.8552 16 A 4.1937 7.7993 118.9802 51.3593 19.2383 176.6737 17 E 2.9744 7.6337 115.7748 57.5157 27.9949 176.8832 18 R 4.3692 7.3747 117.5359 55.1542 28.0000 175.7691 19 Y 4.1386 7.5327 120.0097 60.6817 38.5025 177.3421 20 E 3.8872 8.1508 119.3566 59.3487 29.5364 178.8258 21 D 3.9429 7.8738 118.4569 57.3248 40.8884 178.1847 22 M 4.1244 8.1413 118.5320 58.7448 32.1557 178.1221 23 A 3.5495 8.1018 120.7816 54.9778 18.4399 179.4812 24 A 3.8997 7.8245 119.2357 55.1996 18.3379 179.9231 25 F 4.4429 8.0902 116.6135 61.1838 38.9155 177.8998 26 M 4.1887 8.4218 118.4186 57.9706 31.6888 178.6825 27 K 4.0990 8.6751 120.6089 59.5514 32.1841 178.9636 28 G 3.6979 8.0672 104.4158 47.8169 0.0000 175.1397 29 A 4.1768 8.2211 123.2351 54.9136 18.4596 179.7892 30 V 3.5799 8.1677 117.1301 66.2458 31.4244 177.6133 31 E 4.2293 8.1523 115.4682 57.7217 29.3828 178.7236 32 K 4.1486 7.7098 118.7445 57.8482 32.1865 177.9513 33 G 4.0099 8.2600 107.1218 45.0178 0.0000 173.6907 34 E 4.3305 7.6121 118.2027 55.3151 30.5126 176.3170 35 E 4.2002 8.4930 120.5247 56.5918 30.2265 176.4806 36 L 4.7918 7.4907 123.2647 53.1981 44.4630 176.5677 37 S 4.5655 8.0630 119.9601 58.1155 62.3140 174.5462 35 E 4.2002 8.4930 120.5247 56.5918 30.2265 176.4806 36 E 4.8018 7.7507 121.6647 54.6981 31.9630 175.5677 37 R 4.4355 7.9830 124.7601 55.8155 29.4140 176.2462 42 N 4.7282 7.9285 115.6280 56.1541 38.6061 177.3811 43 L 4.0644 7.9308 120.1859 57.5446 41.8649 178.9221 44 L 4.1113 8.0491 119.8409 58.3656 42.0186 178.8956 45 S 4.3134 8.3233 112.4483 61.5452 62.5118 176.0304 46 V 3.6207 8.3493 121.0941 65.8748 31.2380 177.6580 47 A 4.0708 8.2459 120.4484 55.7592 18.2650 179.3675 48 Y 4.1090 8.0951 114.7240 60.8595 37.8936 178.6054 49 K 4.1233 8.6402 121.1137 59.5795 32.4250 178.7167 50 N 4.1243 8.1109 116.8950 55.9727 38.2659 177.6227 51 V 3.6000 7.7915 119.9152 66.1206 31.7238 178.6113 52 V 4.0342 8.4143 119.4236 64.5933 31.2434 178.5063 53 G 3.5931 8.2624 106.8158 47.4946 0.0000 175.9501 54 G 3.6333 7.9735 107.7742 47.6709 0.0000 175.8824 55 Q 4.0555 7.9202 120.1977 58.6887 28.6620 179.0405 56 R 3.9013 8.3915 119.2785 59.1900 30.1706 178.9095 57 A 4.0039 8.1360 120.2756 55.1480 18.3608 179.5568 58 A 3.9400 8.1073 119.2290 55.0148 18.4768 179.5441 59 W 3.9736 8.6646 127.3263 60.8042 30.7721 178.3577 60 R 4.0142 8.5701 118.1141 59.1596 29.4721 179.2500 61 V 3.5388 7.7377 117.8588 66.0821 31.5051 178.1819 62 L 3.9091 7.8842 118.7655 57.7169 41.3064 179.4539 63 S 3.6144 7.8804 113.5622 61.0715 62.1356 176.1514 64 S 3.9861 7.8767 115.8942 61.3795 62.1320 176.2476 65 I 3.6816 7.6418 122.5429 64.2727 36.6072 178.0111 66 E 3.8911 8.0806 119.3395 59.3847 29.8074 178.6166 67 Q 4.1020 8.2738 118.3288 58.8613 28.7698 178.8082 68 K 3.9748 8.1463 119.7953 59.4569 31.8818 179.5062 69 S 4.3943 7.9593 114.6724 60.2918 62.8092 175.2804 70 N 4.7308 7.5362 117.6868 52.2542 39.1022 174.9750 71 E 4.2309 7.5979 123.8621 55.9497 30.4689 176.7531 72 E 4.1506 8.4864 117.8606 57.6219 30.0284 178.5616 73 G 4.0070 8.9387 112.2196 44.2341 0.0000 173.3903 74 S 4.2542 7.7967 115.4464 57.5213 63.0576 172.9367 75 E 4.1430 8.5071 128.1226 55.4674 30.1277 175.9130 76 E 4.0255 8.7320 126.8266 56.6154 30.0025 176.3546 77 K 4.3915 8.9367 123.5933 55.8404 33.4282 176.3602 78 G 3.8522 8.5669 106.8618 44.2135 0.0000 172.2411 79 P 4.5558 0.0000 0.0000 63.6574 31.5558 177.6391 80 E 4.1154 7.9865 119.4667 59.6025 29.3753 179.0226 81 V 3.6113 7.7049 117.8706 65.9282 31.6723 177.8284 82 R 3.8641 7.9572 117.9602 59.5213 29.9634 178.0929 83 E 3.9991 8.4588 118.5497 59.7241 29.5097 178.8252 84 Y 4.3342 8.3513 119.6933 60.4840 38.7667 177.4580 85 R 3.6615 8.3446 120.1748 59.5513 30.0522 178.3468 86 E 4.0398 8.6044 118.6674 59.1027 29.3793 179.2932 87 K 3.9296 8.1259 119.7441 59.6040 32.2686 179.0384 88 V 3.5416 7.6310 118.4679 65.9286 31.3130 177.5328 89 E 4.0293 8.7004 119.4697 59.7365 29.5309 179.0085 90 T 4.1916 8.1991 117.3624 66.0804 68.4629 176.6785 91 E 3.9940 8.2671 120.6974 59.1429 29.4596 179.0242 92 L 4.3630 8.1341 122.0211 57.9123 42.0899 179.0976 93 Q 4.0966 8.5111 118.4059 58.9060 28.6034 179.1542 94 G 3.6891 8.1934 106.8798 47.6575 0.0000 176.0431 95 V 3.6644 7.8827 120.6362 65.9857 31.5228 177.8869 96 C 4.2142 8.2830 116.5405 63.1012 27.9124 175.9149 97 D 4.2283 8.4281 120.7357 57.4356 40.3174 179.0139 98 T 3.7174 7.7933 116.3164 66.5001 68.4560 176.8735 99 V 2.9517 7.3615 119.9834 65.7903 31.4368 177.9857 100 L 3.8684 7.8978 119.1937 57.7032 41.3469 179.8445 101 G 3.4989 8.1423 105.8400 47.6143 0.0000 175.8136 102 L 3.8817 7.7335 121.3198 57.5574 41.5749 179.6122 103 L 3.7495 7.8138 118.9522 57.6503 41.3149 178.8645 104 D 4.4709 7.9588 116.5785 55.5280 42.4916 176.6630 105 S 4.1279 7.4546 114.3079 56.7232 63.5310 173.7199 106 H 5.0257 7.6659 122.1162 53.9695 30.5248 176.3958 107 L 3.7675 7.6441 121.2534 57.9514 41.6710 178.7883 108 I 3.9099 7.6705 119.9716 64.2088 36.8631 178.7153 109 K 4.1053 7.9849 117.7832 59.2279 32.6058 177.8411 110 E 4.5750 7.6690 117.2205 55.1268 29.8888 175.6655 111 A 4.4533 7.7178 123.7627 51.3466 18.7014 177.1297 112 G 3.9977 8.5830 111.5497 47.0655 0.0000 173.8413 113 D 4.6032 7.8315 118.9363 53.4703 42.9932 177.0759 114 A 4.0031 8.5317 124.2982 55.5480 18.4157 180.1582 115 E 3.9620 8.1262 116.8030 59.3536 29.5299 179.6467 116 S 3.7922 7.8613 113.8510 61.3837 63.3957 176.3848 117 R 4.0045 8.2698 123.1842 58.8723 29.7480 178.5996 118 V 3.5791 8.2196 118.5395 65.8294 31.5512 177.5879 119 F 3.9248 7.9671 119.9890 61.7670 39.1198 176.8340 120 Y 4.5302 8.1443 116.2513 61.1380 37.5950 178.3450 121 L 3.9725 8.3438 120.2223 57.4441 41.5946 179.3610 122 K 3.9000 8.3478 120.0115 59.8041 32.0853 178.7273 123 M 4.0680 8.0240 118.8948 58.2278 31.8920 178.6158 124 K 3.9515 8.3727 120.1258 59.4062 32.2837 179.0029 125 G 2.3502 7.7855 106.0415 47.3642 0.0000 175.2832 126 D 4.1506 7.7902 122.9850 56.7374 40.8382 178.6597 127 Y 3.5185 7.8725 116.9398 60.7320 37.7333 177.7689 128 Y 4.0526 7.8482 117.9631 60.8755 37.8839 178.3851 129 R 4.0096 8.0617 120.0816 59.7621 29.9517 178.2625 130 Y 4.3353 7.3662 115.6902 60.9719 37.9501 178.0152 131 L 4.0837 8.0892 119.9214 57.7383 41.6271 179.4214 132 A 4.0758 8.3891 121.0083 55.0248 18.0594 179.4907 133 E 3.9563 8.1037 116.5266 58.6317 29.5478 178.7738 134 V 3.7440 6.9893 109.2196 59.7699 32.8310 175.6987 135 A 4.3788 7.1518 122.8040 52.0236 19.0195 177.6083 136 T 4.6598 8.4777 108.7053 60.8747 70.3628 173.8579 137 G 3.7796 7.4885 108.0134 46.8543 0.0000 173.4040 *139 D 4.5576 7.9602 119.6062 52.5864 43.8075 177.4837 140 K 3.8229 8.1622 120.6784 59.7809 31.9139 178.2515 141 K 3.9567 8.0342 117.8063 59.7064 31.9946 179.4443 142 R 3.9309 7.9226 117.7520 59.0069 30.0521 179.0545 143 I 3.6741 8.0072 119.9242 64.3843 37.0687 178.4021 144 I 3.9013 8.0048 120.8645 64.6659 36.9025 178.0808 145 D 4.3401 8.3508 118.7808 57.2563 40.9879 178.4665 146 S 3.7201 7.9643 115.8153 61.0517 62.5517 176.3937 147 A 3.5905 7.7524 123.4122 55.0080 18.0712 179.5600 148 R 3.4232 7.8517 117.3090 59.5426 30.1673 178.6116 149 S 3.9660 8.1314 112.8047 61.1661 62.3718 175.9707 150 A 3.8202 7.5877 123.3326 55.4165 18.0156 179.2028 151 Y 3.8913 7.3808 115.2782 61.1009 37.6683 178.7878 152 Q 3.8703 8.0592 120.8321 58.9917 29.1599 177.7562 153 E 3.8729 8.2267 120.2024 59.1692 29.5915 178.6411 154 A 3.9808 7.9973 120.7711 55.4240 18.3913 179.5070 155 M 4.1084 8.2118 118.8390 58.0913 31.8375 178.7398 156 D 4.3724 8.2736 119.0097 57.4562 41.0292 178.9807 157 I 3.7661 7.7753 120.5129 64.4025 37.0050 178.6757 158 S 4.1717 8.3245 115.2994 61.5009 62.5385 176.7240 159 K 4.1504 8.1421 121.2683 58.8532 31.8327 179.0970 160 K 4.2133 7.7218 118.1346 58.1306 32.2395 177.5316 161 E 4.6379 8.2783 115.5636 56.0583 31.3671 175.6227 162 M 4.8875 7.8359 117.6150 52.2884 35.8604 173.5499 163 P 4.5471 0.0000 0.0000 61.7168 32.2748 175.6982 164 P 4.3339 0.0000 0.0000 65.2158 31.3134 177.1354 165 T 4.2114 7.6340 107.3570 61.6241 69.6330 174.9628 166 N 4.3583 8.1125 122.6274 53.4585 40.1896 173.5876 167 P 4.2402 0.0000 0.0000 65.6248 31.4078 178.9908 168 I 3.7548 7.8702 118.4603 64.2030 37.1434 178.0812 169 R 3.8909 8.2621 119.6144 59.4997 29.8228 178.5908 170 L 4.1066 8.2578 119.0320 57.8481 41.6522 179.8314 171 G 3.5642 8.4231 105.9300 47.3151 0.0000 175.5165 172 L 3.9440 8.2287 122.6555 58.1232 42.0741 178.9683 173 A 4.0910 8.1325 120.6227 54.9798 18.3035 179.1246 174 L 3.9321 8.1779 119.0504 58.7397 42.0855 179.1829 175 N 4.4439 8.2967 116.1879 56.1469 38.4344 177.3296 176 F 3.7351 8.4051 122.6635 60.9760 39.3712 177.2100 177 S 4.1242 8.5077 113.3896 61.3125 62.1902 176.3446 178 V 3.8947 8.1125 121.1431 65.7825 31.2629 177.4778 179 F 4.1247 8.5832 120.9170 61.9456 39.1627 176.8949 180 H 3.9159 8.2993 115.4635 58.9372 28.2385 177.2944 181 Y 3.3524 7.6706 120.0814 60.2605 38.6809 176.8192 182 E 4.3580 8.4731 117.9873 57.5423 30.2285 177.5881 183 I 4.1093 7.2636 117.0812 62.7260 38.7083 176.9634 184 A 4.0924 7.1410 117.6207 50.7171 19.2028 176.2100 185 N 3.8553 7.8817 114.5006 55.1655 38.1015 174.5254 186 S 4.6205 7.8774 108.6342 55.7997 63.6721 173.7683 187 P 3.7748 0.0000 0.0000 65.7771 31.3285 178.4536 188 E 3.8668 7.8994 117.8174 59.1017 29.3478 178.6914 189 E 3.7415 7.9601 118.6073 59.0198 29.7128 178.4430 190 A 3.9299 7.7975 120.7230 55.3142 18.3240 179.7616 191 I 3.9582 7.8894 118.3534 64.5648 37.1253 178.5772 192 S 4.0785 8.2669 114.1949 61.2994 62.1619 175.9865 193 L 3.9253 8.1894 122.9139 58.1291 41.8216 178.7799 194 A 4.0777 8.2659 120.6986 55.0571 18.2768 179.6931 195 K 3.9307 8.3752 117.1513 60.0389 32.1604 179.6610 196 T 3.9106 8.1864 116.0462 66.9844 68.3909 176.8708 197 T 3.8855 8.1851 117.6642 66.5450 68.4346 176.4381 198 F 3.9592 8.4434 122.5846 61.5805 39.5301 176.9791 199 D 4.4662 8.5894 118.5998 57.4207 40.3753 178.6577 200 E 4.0305 8.3209 118.3410 59.0532 29.7277 178.9276 201 A 4.0386 7.9962 121.0802 55.2623 18.3512 179.2098 202 M 3.7590 7.9931 116.6890 58.7438 32.0581 178.0984 203 A 4.2332 7.7956 118.5207 53.8118 18.8747 178.0659 204 D 4.8210 7.8160 116.1135 53.9723 41.6963 177.9837 205 L 4.1156 7.8376 121.7239 57.8442 41.3629 178.8175 206 H 4.3692 8.2763 113.3822 58.0212 28.6055 176.2728 207 T 4.0664 7.4685 109.2437 62.6678 69.1853 174.6785 208 L 4.5717 7.5286 122.6361 53.1628 43.2863 176.9997 209 S 4.3804 8.2695 116.5922 58.0124 65.0784 175.0016 210 E 3.9005 8.6175 122.1870 59.6486 29.3858 178.5894 211 D 4.4028 8.0410 118.3536 57.5448 40.9229 178.7952 212 S 4.1691 8.1894 115.7678 61.5300 62.7251 175.9386 213 Y 3.9797 8.4470 122.7633 60.5939 38.5405 178.1872 214 K 3.9336 8.2549 120.3778 59.6486 31.8292 178.3745 215 D 4.3372 7.9933 118.8579 57.6537 40.7785 179.1442 216 S 3.9397 8.2340 115.9698 61.7230 62.8498 176.8983 217 T 3.7026 7.9116 112.5787 64.1956 68.3763 176.3608 218 L 3.9068 7.7471 123.4415 58.3383 42.1737 179.1364 219 I 3.8789 7.2983 119.2739 64.4454 36.9958 178.1337 220 M 4.0899 8.1166 119.7131 58.6458 31.7146 178.6182 221 Q 4.0372 8.3188 119.4906 58.9660 29.1719 178.3279 222 L 4.0802 7.4996 118.9076 57.6160 41.5692 179.2835 223 L 3.8888 7.8394 118.7567 57.8085 41.5150 179.5480 224 R 3.5793 8.1605 118.5782 59.4684 30.0031 178.2324 225 D 4.1814 8.3291 119.0288 57.3953 40.7571 178.6404 226 N 3.4580 7.7836 116.8442 55.8420 38.3204 177.4570 227 L 3.8641 7.5461 120.4882 58.0123 41.4101 179.7381 228 T 3.7856 7.6537 115.0371 66.5985 68.4281 176.4007 229 L 4.0591 7.3566 119.8151 57.1221 41.6939 178.8537 230 W 4.8439 7.7956 117.0682 57.3523 29.5192 176.5330 231 T 4.2782 7.8701 113.9076 61.6487 68.3072 173.6651 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 -4 G 8.21 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 -3 A 8.61 3.82 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 -2 M 8.18 4.47 0.00 2.15 2.14 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 2.91 2.51 0.00 -1 G 8.08 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 S 7.99 4.44 0.00 4.00 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 1 M 7.72 4.47 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 2 E 8.57 4.08 0.00 1.99 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 2.39 2.31 0.00 3 R 8.69 3.87 0.00 1.87 1.94 0.00 3.19 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 4 A 7.93 4.02 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 5 S 7.95 4.01 0.00 3.97 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 6 L 8.05 3.77 0.00 1.88 1.92 1.04 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.72 3.67 1.98 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 1.63 0.85 0.90 0.00 0.00 8 Q 8.11 3.89 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 9 K 8.09 3.78 0.00 0.79 0.74 0.00 1.21 0.00 0.00 1.23 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.16 1.26 7.81 10 A 8.04 4.23 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 11 K 8.06 3.98 0.00 1.98 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.62 7.81 12 L 7.97 3.95 0.00 1.83 1.69 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.52 4.00 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 14 E 8.33 3.68 0.00 2.20 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 2.39 2.56 0.00 15 Q 7.80 4.02 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 16 A 7.80 4.19 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 17 E 7.63 2.97 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.23 0.00 18 R 7.37 4.37 0.00 1.66 1.76 0.00 3.23 0.00 0.00 3.13 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 19 Y 7.53 4.14 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 20 E 8.15 3.89 0.00 1.96 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 2.39 2.42 0.00 21 D 7.87 3.94 0.00 2.75 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 M 8.14 4.12 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.65 0.00 23 A 8.10 3.55 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.82 3.90 1.12 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 25 F 8.09 4.44 0.00 3.23 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 26 M 8.42 4.19 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.91 0.00 27 K 8.68 4.10 0.00 2.06 2.05 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.51 7.81 28 G 8.07 3.70 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 29 A 8.22 4.18 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 30 V 8.17 3.58 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 0.98 0.00 0.00 0.99 0.00 0.00 31 E 8.15 4.23 0.00 2.13 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 2.33 2.49 0.00 32 K 7.71 4.15 0.00 1.88 1.88 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.78 1.61 7.81 33 G 8.26 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 0.00 0.00 0.00 34 E 7.61 4.33 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 2.30 2.27 0.00 35 E 8.49 4.20 0.00 1.98 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 2.35 0.00 36 L 7.49 4.79 0.00 1.76 1.61 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.06 4.57 0.00 3.94 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 35 E 8.49 4.20 0.00 1.98 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 2.35 0.00 36 E 7.75 4.80 0.00 2.20 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 0.00 2.27 2.23 0.00 37 R 7.98 4.44 0.00 1.91 0.84 0.00 2.21 0.00 0.00 3.15 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 42 N 7.93 4.73 0.00 2.75 2.95 0.00 0.00 7.12 6.74 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 43 L 7.93 4.06 0.00 1.91 1.79 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.05 4.11 0.00 1.91 2.08 1.18 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.32 4.31 0.00 4.32 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.35 3.62 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 1.12 0.00 0.00 1.05 0.00 0.00 47 A 8.25 4.07 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.10 4.11 0.00 3.13 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.64 4.12 0.00 2.07 1.89 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.50 7.81 50 N 8.11 4.12 0.00 2.50 2.16 0.00 0.00 6.65 7.84 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 51 V 7.79 3.60 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 1.11 0.00 0.00 0.96 0.00 0.00 52 V 8.41 4.03 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.89 0.00 0.00 53 G 8.26 3.59 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 0.00 0.00 0.00 54 G 7.97 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 7.92 4.06 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 56 R 8.39 3.90 0.00 1.83 1.90 0.00 2.21 0.00 0.00 2.65 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.55 0.00 57 A 8.14 4.00 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 58 A 8.11 3.94 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 59 W 8.66 3.97 0.00 3.44 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 60 R 8.57 4.01 0.00 2.15 2.05 0.00 3.30 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 61 V 7.74 3.54 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 1.03 0.00 0.00 0.96 0.00 0.00 62 L 7.88 3.91 0.00 1.44 1.51 0.46 0.77 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 63 S 7.88 3.61 0.00 2.72 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 64 S 7.88 3.99 0.00 3.95 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 65 I 7.64 3.68 1.97 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.70 0.89 0.00 0.00 66 E 8.08 3.89 0.00 1.94 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 2.27 2.31 0.00 67 Q 8.27 4.10 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 68 K 8.15 3.97 0.00 1.95 1.84 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.60 7.81 69 S 7.96 4.39 0.00 4.02 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 70 N 7.54 4.73 0.00 2.85 2.87 0.00 0.00 7.04 7.60 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 71 E 7.60 4.23 0.00 2.27 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 2.32 2.12 0.00 72 E 8.49 4.15 0.00 1.98 1.76 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 2.23 1.88 0.00 73 G 8.94 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 0.00 0.00 0.00 74 S 7.80 4.25 0.00 3.89 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 75 E 8.51 4.14 0.00 1.94 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 76 E 8.73 4.03 0.00 1.94 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 2.29 2.39 0.00 77 K 8.94 4.39 0.00 1.73 1.75 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.32 7.81 78 G 8.57 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.56 0.00 2.46 2.30 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 80 E 7.99 4.12 0.00 2.08 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 2.38 2.42 0.00 81 V 7.70 3.61 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 1.09 0.00 0.00 0.94 0.00 0.00 82 R 7.96 3.86 0.00 1.91 2.05 0.00 3.38 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 83 E 8.46 4.00 0.00 2.26 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 2.36 2.48 0.00 84 Y 8.35 4.33 0.00 2.97 2.97 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 85 R 8.34 3.66 0.00 1.77 1.95 0.00 3.35 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.37 0.00 86 E 8.60 4.04 0.00 2.28 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 87 K 8.13 3.93 0.00 1.93 2.04 0.00 1.81 0.00 0.00 1.94 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.52 7.81 88 V 7.63 3.54 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 1.07 0.00 0.00 0.46 0.00 0.00 89 E 8.70 4.03 0.00 2.55 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 90 T 8.20 4.19 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 91 E 8.27 3.99 0.00 2.19 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 2.52 0.00 92 L 8.13 4.36 0.00 1.78 1.82 0.95 0.62 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 93 Q 8.51 4.10 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 94 G 8.19 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 0.00 0.00 0.00 95 V 7.88 3.66 2.39 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 1.25 0.00 0.00 1.06 0.00 0.00 96 C 8.28 4.21 0.00 3.16 2.97 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 97 D 8.43 4.23 0.00 2.75 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 98 T 7.79 3.72 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 99 V 7.36 2.95 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 0.08 0.00 0.00 -0.33 0.00 0.00 100 L 7.90 3.87 0.00 1.45 1.45 0.10 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.14 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 0.00 102 L 7.73 3.88 0.00 1.68 1.59 0.81 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.81 3.75 0.00 1.71 1.60 0.84 0.79 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 0.00 104 D 7.96 4.47 0.00 2.69 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 0.00 105 S 7.45 4.13 0.00 3.82 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 7.67 5.03 0.00 3.17 3.19 0.00 5.82 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.64 3.77 0.00 0.98 0.42 0.63 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 108 I 7.67 3.91 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.55 0.93 0.00 0.00 109 K 7.98 4.11 0.00 1.91 1.95 0.00 1.55 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.53 7.81 110 E 7.67 4.57 0.00 1.93 2.22 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 2.28 2.45 0.00 111 A 7.72 4.45 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 0.00 0.00 0.00 0.00 0.00 112 G 8.58 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 0.00 113 D 7.83 4.60 0.00 2.70 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.53 4.00 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 0.00 115 E 8.13 3.96 0.00 2.03 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 2.39 2.43 0.00 116 S 7.86 3.79 0.00 3.98 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 0.00 117 R 8.27 4.00 0.00 2.13 2.00 0.00 3.31 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 118 V 8.22 3.58 2.20 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 1.05 0.00 0.00 1.00 0.00 0.00 119 F 7.97 3.92 0.00 3.14 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.14 4.53 0.00 3.12 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 0.00 121 L 8.34 3.97 0.00 1.69 1.83 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.35 3.90 0.00 1.84 1.90 0.00 1.59 0.00 0.00 1.44 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.58 7.81 123 M 8.02 4.07 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 124 K 8.37 3.95 0.00 1.87 1.91 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.55 1.54 7.81 125 G 7.79 2.35 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 0.00 126 D 7.79 4.15 0.00 2.59 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 0.00 0.00 0.00 127 Y 7.87 3.52 0.00 2.80 2.87 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 0.00 128 Y 7.85 4.05 0.00 2.94 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 0.00 129 R 8.06 4.01 0.00 2.09 1.96 0.00 3.30 0.00 0.00 3.58 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 130 Y 7.37 4.34 0.00 2.96 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.09 4.08 0.00 1.94 1.75 0.81 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.39 4.08 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 0.00 133 E 8.10 3.96 0.00 1.94 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 134 V 6.99 3.74 1.67 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 -0.97 0.00 0.00 0.79 0.00 0.00 135 A 7.15 4.38 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 0.00 136 T 8.48 4.66 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 1.37 0.00 0.00 137 G 7.49 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 *139 D 7.96 4.56 0.00 2.77 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 0.00 140 K 8.16 3.82 0.00 1.83 1.84 0.00 1.74 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.58 7.81 141 K 8.03 3.96 0.00 1.84 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.54 7.81 142 R 7.92 3.93 0.00 1.94 1.94 0.00 3.11 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 143 I 8.01 3.67 2.05 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 1.65 1.08 1.09 0.00 0.00 144 I 8.00 3.90 2.08 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 1.50 0.84 1.10 0.00 0.00 145 D 8.35 4.34 0.00 2.88 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 0.00 146 S 7.96 3.72 0.00 3.03 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 A 7.75 3.59 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 0.00 148 R 7.85 3.42 0.00 2.12 2.10 0.00 3.21 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.02 0.00 149 S 8.13 3.97 0.00 3.87 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 A 7.59 3.82 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.38 3.89 0.00 1.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 8.06 3.87 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 153 E 8.23 3.87 0.00 2.04 1.87 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 2.29 2.31 0.00 154 A 8.00 3.98 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 0.00 155 M 8.21 4.11 0.00 2.12 2.32 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.71 0.00 156 D 8.27 4.37 0.00 2.84 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 0.00 157 I 7.78 3.77 1.88 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 1.59 0.95 0.93 0.00 0.00 158 S 8.32 4.17 0.00 4.06 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.14 4.15 0.00 1.77 1.94 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.68 7.81 160 K 7.72 4.21 0.00 1.86 1.87 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.65 7.81 161 E 8.28 4.64 0.00 2.01 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 2.38 2.39 0.00 162 M 7.84 4.89 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 163 P 0.00 4.55 0.00 2.20 2.17 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 164 P 0.00 4.33 0.00 2.30 2.22 0.00 3.85 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 2.06 1.95 0.00 165 T 7.63 4.21 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 166 N 8.11 4.36 0.00 2.83 2.80 0.00 0.00 7.12 7.16 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 0.00 167 P 0.00 4.24 0.00 2.22 2.09 0.00 3.66 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 2.12 2.16 0.00 168 I 7.87 3.75 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.74 0.99 0.00 0.00 169 R 8.26 3.89 0.00 1.91 2.12 0.00 3.28 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 170 L 8.26 4.11 0.00 1.86 1.69 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 171 G 8.42 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.23 3.94 0.00 1.77 1.96 0.96 1.47 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 0.00 173 A 8.13 4.09 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 L 8.18 3.93 0.00 1.85 1.91 0.89 0.97 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 0.00 175 N 8.30 4.44 0.00 2.83 2.93 0.00 0.00 6.74 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 0.00 176 F 8.41 3.74 0.00 2.60 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 0.00 177 S 8.51 4.12 0.00 4.06 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 V 8.11 3.89 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.17 0.00 0.00 179 F 8.58 4.12 0.00 3.30 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 0.00 180 H 8.30 3.92 0.00 3.28 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 Y 7.67 3.35 0.00 2.28 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 0.00 182 E 8.47 4.36 0.00 2.11 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 2.51 2.65 0.00 183 I 7.26 4.11 1.28 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 1.55 0.95 0.84 0.00 0.00 184 A 7.14 4.09 0.88 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 0.00 185 N 7.88 3.86 0.00 2.68 2.73 0.00 0.00 6.85 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 0.00 186 S 7.88 4.62 0.00 3.80 3.55 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 0.00 187 P 0.00 3.77 0.00 1.98 1.32 0.00 3.52 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.69 0.00 188 E 7.90 3.87 0.00 1.94 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 2.35 2.28 0.00 189 E 7.96 3.74 0.00 1.87 1.78 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 1.73 1.87 0.00 190 A 7.80 3.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 I 7.89 3.96 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.84 1.00 0.00 0.00 192 S 8.27 4.08 0.00 3.93 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 0.00 193 L 8.19 3.93 0.00 1.76 1.84 0.97 1.21 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 0.00 194 A 8.27 4.08 1.53 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 0.00 0.00 195 K 8.38 3.93 0.00 2.07 1.91 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.64 7.81 196 T 8.19 3.91 4.37 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 1.24 0.00 0.00 197 T 8.19 3.89 4.48 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 1.25 0.00 0.00 198 F 8.44 3.96 0.00 3.23 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 0.00 199 D 8.59 4.47 0.00 2.81 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 0.00 200 E 8.32 4.03 0.00 2.02 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 2.36 2.48 0.00 201 A 8.00 4.04 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 M 7.99 3.76 0.00 2.18 1.74 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 203 A 7.80 4.23 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 0.00 204 D 7.82 4.82 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 0.00 205 L 7.84 4.12 0.00 1.77 2.01 0.68 1.16 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 0.00 206 H 8.28 4.37 0.00 3.27 3.47 0.00 5.52 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 T 7.47 4.07 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 0.95 0.00 0.00 208 L 7.53 4.57 0.00 1.90 1.70 0.93 0.73 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 0.00 209 S 8.27 4.38 0.00 4.05 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 E 8.62 3.90 0.00 2.02 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 2.40 2.39 0.00 211 D 8.04 4.40 0.00 2.75 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 0.00 212 S 8.19 4.17 0.00 3.92 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 0.00 213 Y 8.45 3.98 0.00 3.17 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 0.00 214 K 8.25 3.93 0.00 1.96 2.03 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.52 7.81 215 D 7.99 4.34 0.00 2.94 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 0.00 216 S 8.23 3.94 0.00 3.69 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 0.00 217 T 7.91 3.70 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 0.43 0.00 0.00 218 L 7.75 3.91 0.00 1.94 1.84 0.92 1.01 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 0.00 219 I 7.30 3.88 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.90 0.91 0.00 0.00 220 M 8.12 4.09 0.00 1.77 2.10 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.26 0.00 221 Q 8.32 4.04 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 222 L 7.50 4.08 0.00 1.90 1.65 0.91 0.57 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 0.00 223 L 7.84 3.89 0.00 2.09 1.79 1.02 0.81 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 0.00 224 R 8.16 3.58 0.00 1.72 2.07 0.00 2.97 0.00 0.00 2.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 225 D 8.33 4.18 0.00 2.69 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 0.00 226 N 7.78 3.46 0.00 2.07 1.42 0.00 0.00 7.03 6.02 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 0.00 227 L 7.55 3.86 0.00 1.59 1.59 0.83 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 228 T 7.65 3.79 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 1.13 0.00 0.00 229 L 7.36 4.06 0.00 1.34 1.63 0.72 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 230 W 7.80 4.84 0.00 3.25 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 0.00 231 T 7.87 4.28 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.