NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 5.0690 8.5004 122.2562 52.1954 19.7240 175.7327 3 A 4.4428 8.0939 122.5718 50.6073 22.9432 172.7540 4 L 5.1589 8.6781 119.8065 52.8211 45.3377 174.3585 5 L 4.7284 8.9184 124.4567 53.3923 44.8159 175.4113 6 E 4.9501 8.9890 125.9638 56.4591 30.9071 176.0329 7 S 4.5918 9.5285 116.0976 58.2997 65.9202 174.5677 8 G 4.1941 9.4048 112.4726 45.7291 0.0000 174.3141 9 G 3.6980 7.6014 108.3064 45.3304 0.0000 172.4568 10 G 3.9858 7.3899 105.2625 43.9682 0.0000 171.9457 11 L 4.7496 7.8568 120.0622 54.8485 42.6281 177.2355 12 V 4.5700 8.5808 121.3341 61.5938 35.4672 173.2165 13 K 5.1783 8.5723 126.2304 54.6975 34.5377 174.3536 14 P 4.4419 0.0000 0.0000 64.7282 31.6911 176.7020 15 G 3.9745 9.4631 111.5039 45.3910 0.0000 173.7970 16 G 4.0675 8.0305 107.5142 45.9488 0.0000 172.4577 17 S 5.2262 8.3346 113.0175 56.5449 66.1637 173.2604 18 L 4.6412 8.8993 122.3692 53.4510 46.0606 174.6588 19 K 4.6900 8.3968 124.6023 54.7063 34.5056 175.1571 20 L 4.8832 8.5723 128.5044 53.5899 43.7753 176.0369 21 S 5.5012 9.4121 116.2339 56.9599 67.1211 172.1788 22 C 5.4584 9.0955 120.8021 55.5720 46.8528 172.9647 23 T 5.2100 8.7948 115.7135 60.1963 71.7884 172.7482 24 A 5.0722 8.0153 122.1435 50.6899 22.8839 175.3544 25 S 4.3166 8.9218 113.9027 57.8447 64.8046 175.0866 26 G 3.8759 9.5196 115.4986 45.1311 0.0000 172.5945 27 I 4.4287 7.0175 119.3270 59.6704 39.6929 175.3955 28 T 4.2691 8.4777 122.2695 61.5686 67.8837 174.8805 29 F 4.8579 8.5777 126.5284 60.8252 39.1973 178.0158 30 S 4.1721 7.7400 114.9775 61.2066 62.9976 175.8216 *32 R 4.2840 7.7682 118.4797 56.2408 32.3025 174.5254 *34 Y 5.2516 7.5697 114.9029 57.8965 39.6987 174.5665 35 I 4.4019 8.4551 120.9189 61.2469 37.3383 175.9179 36 M 4.5210 8.8846 127.6538 54.4916 34.0024 175.8331 37 S 5.3839 8.8963 116.6559 56.9528 68.5251 172.8098 38 W 5.4474 9.4583 120.7832 55.3215 32.4189 175.3779 39 V 5.2980 9.2728 116.2655 59.8277 36.1304 174.4766 40 R 4.8842 9.3523 118.3157 54.5026 33.3206 174.0271 41 Q 4.7709 8.6011 122.4565 54.5003 30.6836 175.0382 42 I 4.2146 8.2785 127.7680 60.0301 38.2122 175.5206 43 P 3.8799 0.0000 0.0000 66.0218 31.2964 177.6653 44 E 3.9618 8.0387 116.1262 58.0332 29.3849 178.0086 45 K 4.1201 9.0843 117.9158 55.8115 30.7303 176.0546 46 R 4.3966 7.4164 118.9733 54.6767 31.1755 175.6323 47 L 4.4009 8.2801 124.9576 54.8188 42.7324 175.9086 48 E 4.7506 9.1873 123.8974 53.8853 32.7408 174.6236 49 W 4.7419 9.1344 135.0000 57.9341 31.0787 174.9971 50 V 4.1926 8.2459 126.0149 63.9733 32.8294 175.3023 51 A 4.3141 7.3956 118.2646 51.6648 22.3456 175.1387 52 S 5.3507 8.5535 113.9969 57.3294 68.2718 173.2767 53 I 5.2616 8.8453 122.6467 59.4284 41.4408 175.5553 54 S 4.9481 9.0800 124.4420 57.1363 64.3031 175.2094 55 S 4.2220 8.5903 114.6543 61.0180 62.7813 175.6542 56 G 3.6444 8.0497 108.4554 46.6365 0.0000 174.3735 57 G 3.9874 8.1701 108.2757 44.8730 0.0000 173.4719 58 I 4.0580 7.7265 121.9082 61.2361 37.9412 175.5331 59 T 4.9994 8.3132 117.3065 60.9118 71.0088 173.7071 60 Y 4.8752 8.4391 119.5717 56.9337 42.5550 173.9127 61 Y 4.6719 8.5250 118.7785 56.0695 42.4256 172.9630 62 P 4.7722 0.0000 0.0000 61.6285 33.1821 176.5164 63 D 4.3759 8.8984 119.3836 57.7307 40.7421 179.4216 64 S 4.1362 8.0695 111.6409 60.7214 62.8541 175.0814 65 V 3.8029 7.6378 110.8474 61.2722 34.0101 178.4183 66 A 3.5908 7.1255 123.6649 54.5413 18.6125 178.6962 67 G 3.9483 7.7181 100.4094 45.3084 0.0000 173.4710 68 R 4.4415 8.1607 120.3132 56.2135 32.4280 176.1150 69 F 5.6539 7.8463 116.0477 55.9724 41.7154 175.4867 70 T 4.7258 9.0039 118.6848 61.8899 71.9798 172.5692 71 I 5.1678 9.5380 127.8796 59.7013 39.6435 174.7764 72 S 4.9556 9.2381 122.4916 57.0558 66.9301 172.6221 73 R 5.0790 8.6852 120.0882 54.8083 33.3249 174.4891 74 D 4.9277 9.0393 125.8127 52.4842 41.3913 176.3510 75 N 4.4402 8.8670 123.3321 55.6622 39.0973 177.3178 76 V 3.7723 7.9860 117.3202 65.8704 31.8039 177.2294 77 R 4.0157 8.2217 116.1368 56.3210 30.8102 175.6265 78 N 4.2119 8.1806 115.8080 54.5867 37.1530 173.3912 79 I 4.9620 7.2268 119.5642 59.4813 42.0304 175.7168 80 L 4.8392 8.9484 128.4235 53.7031 44.3110 174.6990 81 Y 5.6727 9.4436 122.4892 56.3927 42.4525 174.7470 82 L 4.7210 8.7803 123.5362 53.4196 44.8188 174.5333 83 Q 4.4934 9.0579 129.2951 55.3472 30.3909 174.0503 84 M 4.6443 9.1936 127.4820 53.6080 34.4141 175.3955 85 S 4.8386 8.6608 118.2101 56.3906 67.3493 173.6765 86 S 3.8239 8.5645 114.5746 59.5824 60.2815 173.5336 87 L 4.3493 8.1262 120.0140 55.0672 42.6041 177.4387 88 R 5.0050 9.3503 122.2449 53.8912 33.0107 177.2774 89 S 4.6592 8.9520 114.5854 60.7134 62.8550 176.0812 90 E 4.2070 8.1300 116.8321 57.9865 29.5555 176.8587 91 D 4.7822 8.3590 119.0924 55.0389 41.3371 176.5053 92 T 4.3215 7.9265 117.5655 64.2298 69.0199 173.6355 93 A 4.2661 8.6206 127.1302 51.8068 24.2360 173.8068 94 L 4.7800 7.7300 120.2184 54.2081 43.9047 174.9907 95 Y 4.9622 9.3201 124.7582 56.7706 40.0158 174.2723 96 Y 5.3454 9.4455 122.3916 56.5351 41.3032 173.8330 97 C 4.4651 10.6349 123.6621 55.1010 45.6952 172.2452 98 A 5.1159 8.6719 126.0824 50.9666 23.1437 175.3343 99 R 4.4743 9.2111 122.5340 54.7347 30.3038 176.8189 100 G 3.7974 8.6045 114.7811 46.9567 0.0000 172.4470 101 Q 4.1706 7.9603 118.7891 56.5075 31.0545 177.5910 102 G 3.7166 8.8246 111.6900 46.7594 0.0000 176.3618 103 R 4.1499 8.9433 127.5244 53.8499 30.1289 172.9500 104 P 4.6752 0.0000 0.0000 63.2534 32.2474 175.7379 105 Y 4.4973 8.7758 119.9387 56.0987 42.2703 174.2897 106 W 5.9811 7.4853 118.6678 55.4624 31.5073 175.1489 107 G 4.2309 8.7856 109.9073 44.9051 0.0000 173.2974 108 Q 4.2707 8.8215 117.1308 57.0235 29.1847 177.5986 109 G 3.7453 9.1322 103.0117 45.6946 0.0000 172.5139 110 T 4.6217 8.1217 114.0381 59.9505 71.0530 172.5830 111 S 4.9015 8.6605 123.2697 57.6497 64.2320 172.4247 112 V 4.5930 9.2471 127.5215 61.3937 34.0233 174.1770 113 T 4.6962 8.6472 124.6350 61.9778 71.1673 173.6452 114 V 5.2329 8.9533 128.9537 61.1366 32.1388 174.5051 115 S 4.7279 8.3389 120.9718 56.9632 65.9806 173.9337 116 A 4.1993 8.6029 124.9032 53.5559 19.7671 178.0414 117 A 3.9007 7.6244 117.1681 52.3064 18.7741 176.4706 118 K 4.6457 7.9070 118.0779 54.7137 34.8374 176.2627 119 T 4.2145 8.5910 117.1895 65.1582 69.2952 173.4514 120 T 4.8388 8.6629 121.0967 61.1162 72.6138 171.8593 121 P 4.8290 0.0000 0.0000 62.1050 32.2844 174.2957 122 P 4.8125 0.0000 0.0000 62.8384 32.8447 175.2764 123 S 4.6021 9.1090 118.0970 56.8887 65.0293 173.1374 124 V 4.5523 7.9495 124.2654 61.1457 33.4760 174.1089 125 Y 5.0730 8.6394 125.6762 55.2986 40.9734 173.1978 126 P 4.6993 0.0000 0.0000 62.8294 32.5612 175.7621 127 A 4.7444 9.7961 127.5644 50.4763 19.9871 175.3078 128 A 4.7958 8.4216 121.9553 50.5482 22.2829 173.0829 129 P 4.2731 0.0000 0.0000 61.0745 32.8086 179.4170 130 G 4.2245 8.2317 105.4716 43.4646 0.0000 176.3444 131 C 4.6513 9.4246 119.8498 56.1768 31.4399 172.1730 132 G 3.3777 8.2060 114.1477 45.0457 0.0000 171.8711 133 D 4.7139 7.4336 119.3168 52.7673 45.0911 174.7213 134 T 3.9465 8.4027 116.8372 64.7315 68.5171 175.0402 135 T 4.6621 8.3445 122.2993 61.8274 70.3590 173.4230 136 G 3.8919 8.0006 117.1538 43.9763 0.0000 169.3785 137 S 3.8018 8.8602 115.3695 60.0419 62.3734 173.0006 138 S 3.8159 8.6632 128.0424 58.4923 59.3225 170.0520 139 V 4.3750 8.4264 125.0490 59.9043 33.8034 175.1661 140 T 4.6317 8.2778 114.1229 60.7429 69.9055 173.9693 141 L 4.6717 8.3585 126.6686 53.0869 45.3858 175.2458 142 G 4.6802 8.5026 105.9679 46.4092 0.0000 171.6900 143 C 5.6201 9.4148 116.9627 54.9347 43.5457 173.2003 144 L 4.9184 9.1253 126.1613 53.5901 43.6771 174.9797 145 V 4.6407 8.8545 127.5019 61.2981 33.2549 174.4564 146 K 4.8967 9.0773 128.9083 54.7940 36.3317 175.7644 147 G 4.2146 8.2599 110.4227 46.6882 0.0000 173.0636 148 Y 5.2208 7.5620 116.3347 53.9659 39.7827 174.3883 149 F 4.6474 8.4233 124.0606 57.8638 39.6949 172.8769 150 P 3.4748 0.0000 0.0000 62.4592 31.2200 175.6754 151 E 3.4497 8.3633 125.2650 58.2154 29.3450 174.9946 152 P 4.2621 0.0000 0.0000 63.1416 31.0447 175.4946 153 V 4.7000 8.0045 121.7596 60.1193 34.8895 174.6712 154 T 4.5845 9.1550 118.9260 61.8248 71.7885 172.8727 155 V 4.6379 8.4393 126.1016 61.4770 33.4281 174.9105 156 T 4.7418 8.5985 123.4990 61.5933 73.0179 172.7939 157 W 4.9749 8.8657 125.1504 55.4907 31.3822 175.6692 158 N 4.3365 9.6675 122.8776 54.4121 36.3568 174.4100 159 S 3.6768 8.3172 109.5076 58.6863 62.1101 172.7410 160 G 3.9213 7.6240 106.0712 47.1019 0.0000 173.7154 161 G 4.1478 7.9545 118.0591 45.1722 0.0000 172.0384 *164 S 4.7767 7.8983 116.9287 58.2685 64.4262 175.0707 165 S 4.4620 7.6967 114.3915 58.4629 62.0703 173.4094 166 V 4.2799 7.9978 117.9435 61.7403 32.9459 175.4578 167 H 4.6113 9.0761 123.2120 54.7483 32.2223 172.2476 168 T 4.7239 8.1924 120.6036 61.7652 69.6961 174.7981 169 F 4.5720 8.5905 125.6632 55.7116 40.2692 174.4068 170 P 4.3124 0.0000 0.0000 62.8701 31.7739 176.1483 171 A 4.5333 8.5835 124.1145 52.1070 19.1433 176.6658 172 L 4.8659 9.1331 122.3729 52.8314 44.7794 175.4803 173 L 4.2321 8.4328 124.4956 54.2462 43.5111 176.0617 174 Q 4.2036 8.8881 127.1293 55.8204 31.3428 174.5277 175 S 3.4267 9.4366 122.7518 59.8562 60.0553 173.2357 176 G 3.8713 8.4255 106.8101 45.4017 0.0000 173.9455 177 L 4.8362 7.3451 119.4755 52.7996 45.4781 175.6717 178 Y 4.6438 8.3485 120.4566 58.2605 39.3605 174.8497 179 T 5.2968 9.0672 118.9434 62.5800 73.4490 172.8228 180 M 5.3306 9.4098 122.1187 54.5427 35.5845 173.2695 181 S 5.3973 8.7620 112.5701 56.9940 67.4940 172.6381 182 S 5.4649 9.1594 114.5545 56.9887 65.8720 172.8321 183 S 5.4653 9.5205 121.4603 56.6519 66.5940 173.1948 184 V 4.8717 8.3148 119.5963 59.6874 34.7120 173.8394 185 T 4.9573 7.8743 119.6296 61.9593 71.1190 173.9432 186 V 4.5772 8.1151 117.5070 58.6095 36.4061 172.9874 187 P 4.5745 0.0000 0.0000 62.8674 31.6340 177.2152 188 S 4.2342 9.1076 117.6829 61.4272 62.3038 176.0551 189 S 4.6962 7.6219 111.1825 58.6638 61.9735 175.0889 190 T 4.4811 8.0547 111.2042 63.6173 69.3020 174.0275 191 W 4.3605 8.6200 132.1486 59.8326 31.3007 175.4470 192 P 4.7626 0.0000 0.0000 62.2646 28.7630 176.6509 193 S 4.4657 7.6382 109.0038 59.9293 66.5014 174.5016 *195 T 4.1500 7.7463 110.6386 61.5358 69.3480 173.0015 196 V 4.5350 8.4548 126.3312 61.3284 33.9991 174.2456 197 T 5.8532 9.0976 124.1984 60.8021 72.3064 170.3127 198 C 4.5107 8.4822 119.9629 53.2340 45.6689 172.4118 199 S 4.9417 9.1200 118.7926 55.7365 64.3790 172.7395 200 V 4.5144 8.7977 128.8177 61.4162 32.8858 174.1195 201 A 4.8700 9.0493 130.9606 50.4875 21.4648 175.0094 202 H 4.8718 8.7437 122.2558 52.8433 29.6848 171.6787 203 P 4.0952 0.0000 0.0000 65.3216 31.6616 178.1618 204 A 4.1290 7.6854 116.2299 53.6850 18.2129 177.7112 205 S 4.5287 7.9884 109.7658 57.5893 66.0578 175.4096 206 S 3.6725 8.3811 115.2039 59.2547 61.5538 172.0783 207 T 4.2012 7.5024 115.6316 62.3844 68.8454 173.7386 208 T 5.1213 7.9052 114.9401 62.5170 69.0865 172.1412 209 V 4.1649 7.9022 129.0976 61.8464 33.1787 174.0851 210 D 5.4197 8.4953 125.2336 52.4597 44.7196 174.8560 211 K 4.7187 8.6464 120.7337 54.5839 36.4397 175.3270 212 K 4.8775 8.6118 123.7781 54.6427 33.3571 176.2978 213 L 4.1681 9.3441 127.1302 55.5613 42.2920 177.5110 214 E 4.1568 9.0278 122.1607 57.0247 29.4763 174.2502 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 2 A 8.50 5.07 0.95 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 0.00 0.00 3 A 8.09 4.44 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.68 5.16 0.00 1.56 1.61 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.92 4.73 0.00 1.68 1.52 0.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.99 4.95 0.00 2.00 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 2.78 2.49 0.00 7 S 9.53 4.59 0.00 3.91 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 8 G 9.40 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.60 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 10 G 7.39 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 11 L 7.86 4.75 0.00 1.58 1.67 1.04 0.80 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 12 V 8.58 4.57 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 0.87 0.00 0.00 0.89 0.00 0.00 13 K 8.57 5.18 0.00 1.87 1.92 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.47 1.30 7.81 14 P 0.00 4.44 0.00 2.06 2.07 0.00 3.70 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 2.05 2.14 0.00 15 G 9.46 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 16 G 8.03 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.33 5.23 0.00 3.93 3.75 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 18 L 8.90 4.64 0.00 1.54 1.22 0.84 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.40 4.69 0.00 1.75 1.58 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.30 1.31 7.81 20 L 8.57 4.88 0.00 0.92 1.37 0.20 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.41 5.50 0.00 3.82 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 9.10 5.46 0.00 2.84 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 23 T 8.79 5.21 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 24 A 8.02 5.07 0.93 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 0.00 0.00 25 S 8.92 4.32 0.00 3.80 3.60 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 26 G 9.52 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 27 I 7.02 4.43 1.71 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.40 1.01 0.00 0.00 28 T 8.48 4.27 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 1.18 0.00 0.00 29 F 8.58 4.86 0.00 3.17 3.07 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 0.00 0.00 0.00 0.00 30 S 7.74 4.17 0.00 4.21 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 0.00 *32 R 7.77 4.28 0.00 0.83 1.32 0.00 3.32 0.00 0.00 3.15 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.34 0.00 *34 Y 7.57 5.25 0.00 2.89 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 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0.00 0.00 110 T 8.12 4.62 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 1.30 0.00 0.00 111 S 8.66 4.90 0.00 3.92 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 0.00 112 V 9.25 4.59 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.66 0.00 0.00 113 T 8.65 4.70 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 1.31 0.00 0.00 114 V 8.95 5.23 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 1.10 0.00 0.00 1.02 0.00 0.00 115 S 8.34 4.73 0.00 4.11 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.60 4.20 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 0.00 117 A 7.62 3.90 0.38 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 0.00 118 K 7.91 4.65 0.00 1.87 1.77 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.41 7.81 119 T 8.59 4.21 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 1.43 0.00 0.00 120 T 8.66 4.84 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 1.31 0.00 0.00 121 P 0.00 4.83 0.00 2.08 2.10 0.00 3.82 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 2.02 2.00 0.00 122 P 0.00 4.81 0.00 1.85 1.60 0.00 3.67 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.70 0.00 123 S 9.11 4.60 0.00 3.68 3.38 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 0.00 124 V 7.95 4.55 1.92 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 0.68 0.00 0.00 0.76 0.00 0.00 125 Y 8.64 5.07 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 0.00 126 P 0.00 4.70 0.00 2.19 2.15 0.00 3.93 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 127 A 9.80 4.74 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 0.00 128 A 8.42 4.80 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 0.00 129 P 0.00 4.27 0.00 2.35 2.14 0.00 4.13 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 2.45 2.39 0.00 130 G 8.23 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 0.00 0.00 0.00 131 C 9.42 4.65 0.00 3.03 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 0.00 132 G 8.21 3.38 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 0.00 133 D 7.43 4.71 0.00 2.64 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 0.00 134 T 8.40 3.95 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 1.23 0.00 0.00 135 T 8.34 4.66 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 1.42 0.00 0.00 136 G 8.00 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 0.00 137 S 8.86 3.80 0.00 3.84 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 0.00 138 S 8.66 3.82 0.00 4.03 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.43 4.38 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.69 0.00 0.00 140 T 8.28 4.63 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 1.14 0.00 0.00 141 L 8.36 4.67 0.00 1.29 1.60 0.51 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 142 G 8.50 4.68 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 0.00 143 C 9.41 5.62 0.00 2.73 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 0.00 144 L 9.13 4.92 0.00 1.88 1.86 1.07 0.85 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 0.00 145 V 8.85 4.64 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 0.63 0.00 0.00 0.82 0.00 0.00 146 K 9.08 4.90 0.00 1.94 1.73 0.00 2.02 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 147 G 8.26 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 Y 7.56 5.22 0.00 3.03 3.03 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 0.00 149 F 8.42 4.65 0.00 3.00 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 0.00 150 P 0.00 3.47 0.00 2.13 2.05 0.00 4.14 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 2.24 2.10 0.00 151 E 8.36 3.45 0.00 1.16 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.49 0.00 152 P 0.00 4.26 0.00 2.17 2.04 0.00 3.57 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 153 V 8.00 4.70 1.72 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 0.62 0.00 0.00 0.61 0.00 0.00 154 T 9.16 4.58 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 1.19 0.00 0.00 155 V 8.44 4.64 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 0.58 0.00 0.00 0.88 0.00 0.00 156 T 8.60 4.74 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 1.25 0.00 0.00 157 W 8.87 4.97 0.00 3.24 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 0.00 158 N 9.67 4.34 0.00 2.90 2.96 0.00 0.00 7.33 7.61 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 0.00 159 S 8.32 3.68 0.00 4.06 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 0.00 160 G 7.62 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 0.00 0.00 0.00 161 G 7.95 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *164 S 7.90 4.78 0.00 3.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 S 7.70 4.46 0.00 3.82 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 V 8.00 4.28 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 0.84 0.00 0.00 0.81 0.00 0.00 167 H 9.08 4.61 0.00 2.94 2.61 0.00 5.66 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 T 8.19 4.72 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 169 F 8.59 4.57 0.00 3.07 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 0.00 170 P 0.00 4.31 0.00 2.13 2.06 0.00 3.88 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 171 A 8.58 4.53 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 0.00 172 L 9.13 4.87 0.00 1.63 1.60 0.95 0.33 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 0.00 173 L 8.43 4.23 0.00 1.43 1.42 -0.52 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 174 Q 8.89 4.20 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.05 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 175 S 9.44 3.43 0.00 4.03 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 0.00 176 G 8.43 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 L 7.35 4.84 0.00 1.67 1.49 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 178 Y 8.35 4.64 0.00 1.98 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 0.00 0.00 0.00 179 T 9.07 5.30 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 1.37 0.00 0.00 180 M 9.41 5.33 0.00 2.24 2.46 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.71 0.00 181 S 8.76 5.40 0.00 4.02 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 0.00 182 S 9.16 5.46 0.00 4.12 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 0.00 183 S 9.52 5.47 0.00 3.94 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 0.00 184 V 8.31 4.87 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 -0.11 0.00 0.00 0.43 0.00 0.00 185 T 7.87 4.96 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 1.16 0.00 0.00 186 V 8.12 4.58 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 0.57 0.00 0.00 0.70 0.00 0.00 187 P 0.00 4.57 0.00 2.21 2.18 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 188 S 9.11 4.23 0.00 4.17 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 0.00 189 S 7.62 4.70 0.00 4.08 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 0.00 190 T 8.05 4.48 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 191 W 8.62 4.36 0.00 3.44 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 0.00 192 P 0.00 4.76 0.00 2.25 2.09 0.00 3.84 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 193 S 7.64 4.47 0.00 4.01 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 *195 T 7.75 4.15 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 1.27 0.00 0.00 196 V 8.45 4.53 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 1.26 0.00 0.00 0.94 0.00 0.00 197 T 9.10 5.85 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 198 C 8.48 4.51 0.00 1.38 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 0.00 199 S 9.12 4.94 0.00 3.69 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 0.00 200 V 8.80 4.51 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 0.65 0.00 0.00 0.73 0.00 0.00 201 A 9.05 4.87 1.16 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 0.00 202 H 8.74 4.87 0.00 2.99 3.07 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 0.00 203 P 0.00 4.10 0.00 2.15 2.09 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 204 A 7.69 4.13 1.16 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 0.00 205 S 7.99 4.53 0.00 4.07 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 S 8.38 3.67 0.00 3.98 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 0.00 207 T 7.50 4.20 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 208 T 7.91 5.12 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 1.23 0.00 0.00 209 V 7.90 4.16 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 0.76 0.00 0.00 0.86 0.00 0.00 210 D 8.50 5.42 0.00 2.55 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 0.00 211 K 8.65 4.72 0.00 1.62 1.61 0.00 1.49 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.44 7.81 212 K 8.61 4.88 0.00 1.67 1.81 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.47 7.81 213 L 9.34 4.17 0.00 1.74 1.90 1.13 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 214 E 9.03 4.16 0.00 2.32 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 2.50 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.