NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 E 4.3184 8.4444 121.4773 56.2203 31.5995 176.6254 20 L 3.8985 8.1040 119.4418 57.0974 42.1306 175.9319 21 C 4.9356 7.7769 115.6878 54.3189 42.5605 171.0696 22 P 4.7447 0.0000 0.0000 61.3529 32.2984 176.7699 23 K 4.3283 8.3946 119.0894 56.7608 33.4669 177.6312 24 I 4.3353 7.8951 123.9063 61.9920 37.7287 174.7262 *30 D 4.4840 8.3630 126.2633 53.5060 41.1953 172.2599 31 L 4.0821 8.3639 115.5464 56.3988 42.0758 175.7900 32 P 4.4055 0.0000 0.0000 62.5961 33.0530 174.8556 33 G 4.1879 7.6988 105.8285 44.4894 0.0000 171.7948 34 F 4.8844 9.1907 118.9291 55.3521 42.6840 174.3633 35 D 4.7268 8.8089 123.5450 53.2745 40.6856 176.6175 36 L 4.2368 8.6464 128.6844 57.5453 41.6022 179.5691 37 I 3.6698 7.8878 119.8594 64.1313 37.0472 178.2109 38 S 4.2168 8.4497 114.0109 61.6036 62.1317 176.1068 39 Q 3.9717 8.1315 119.4492 59.1515 28.4862 177.8583 40 F 4.3677 8.5731 113.4249 57.4004 39.4890 175.2193 41 Q 3.7143 8.2217 119.6903 57.0166 27.1031 176.3459 42 V 3.5872 8.0066 118.9096 65.9781 31.6818 176.3182 43 D 4.2399 7.7295 118.5190 56.2682 39.0804 178.3413 44 K 3.9493 8.0547 120.3555 59.2727 32.3723 178.5062 45 A 4.0784 8.2246 120.7587 55.0260 18.1111 179.3477 46 A 4.6044 7.9501 120.3037 54.2072 18.5356 178.8696 47 S 4.5358 8.1039 109.0430 59.2313 62.6595 174.4888 48 R 4.4732 7.2913 118.1568 56.3184 30.6135 176.2889 49 R 3.9521 7.8963 114.9322 56.9348 28.1845 177.2731 50 A 4.1812 8.7057 124.0542 54.4276 18.2090 178.3214 51 I 4.8459 7.4558 107.1685 59.1528 41.8610 174.2756 52 Q 4.5365 8.6047 123.5249 55.3153 30.6801 174.2796 53 R 4.9443 8.4861 124.1598 55.0265 32.2590 175.7482 54 V 4.5804 8.6231 115.1999 59.3161 36.9118 174.7108 55 V 3.8870 8.4097 122.0591 63.0559 31.5946 176.4561 56 G 3.7699 9.0368 120.5060 45.9731 0.0000 175.9648 57 S 3.5703 8.0499 116.8375 60.0361 63.3860 174.4530 58 A 4.6326 7.0523 123.0446 50.2246 22.1903 176.6464 59 T 3.7802 8.6304 116.9296 66.8318 68.4592 175.3420 60 L 4.3349 7.6467 116.9110 54.9133 42.3581 176.2059 61 Q 4.4259 7.9927 120.2043 54.8203 30.2296 175.0468 62 V 4.6275 8.1800 122.6352 60.0264 33.5336 174.8427 63 A 4.9192 8.9199 124.5324 50.3489 23.1713 174.0939 64 Y 5.0449 9.0293 117.0054 56.0604 40.8895 175.4031 65 K 4.5726 9.0675 124.7992 56.2438 33.0641 176.3359 66 L 4.7257 9.8435 125.9472 52.7653 45.4269 176.4886 67 G 4.0900 8.6321 105.2497 45.9113 0.0000 174.2068 68 N 4.0631 9.5698 122.0795 54.3452 37.8226 173.6124 69 N 4.1899 7.7577 107.7396 54.0976 35.5519 174.7627 70 V 4.1572 7.4683 115.6105 60.8677 34.7321 173.7854 71 D 4.5486 8.3103 126.0938 52.7216 41.7022 175.6661 72 F 4.9797 8.5240 127.4213 56.1905 39.9180 175.0556 73 R 5.6398 8.5644 119.1127 54.8637 32.6478 174.5467 74 I 4.7724 9.0714 121.3028 58.7106 41.5454 173.3528 75 P 4.2388 0.0000 0.0000 63.0273 32.0100 177.2984 76 T 3.8806 8.4982 120.6057 66.6823 68.5848 176.7791 77 R 4.1379 7.7458 116.1585 58.9006 29.4786 177.4541 78 N 4.4488 7.9136 115.1868 54.7384 38.9296 175.5916 79 L 4.1455 7.4874 115.9782 55.4889 44.2761 176.4022 80 Y 4.9050 7.8397 114.9791 55.3244 37.9302 174.4700 81 P 4.2210 0.0000 0.0000 65.1183 31.9211 178.2758 82 S 4.5856 8.0016 113.1326 57.8318 63.5111 175.2913 83 G 3.8661 8.0909 111.5320 44.7606 0.0000 173.6485 84 L 4.2202 8.0000 117.9197 52.6298 42.8139 174.9230 85 P 4.5850 0.0000 0.0000 62.2011 32.2310 176.1631 86 E 4.1588 8.9168 119.5687 58.6851 29.4926 176.6631 87 E 5.5433 7.8899 116.6861 53.6704 33.6474 174.7571 88 Y 4.7620 7.3679 119.6429 56.9951 40.9549 171.9777 89 S 5.0758 9.0126 113.4676 56.5099 66.9609 172.6801 90 F 5.1201 9.0033 123.7617 56.4386 42.0670 173.8656 91 L 5.0157 7.9212 125.4100 53.1896 45.5852 175.4193 92 T 4.8338 8.6394 116.0944 61.2009 71.5998 172.1457 93 T 5.5635 9.3579 124.5187 61.9983 71.5480 173.2893 94 F 6.0145 9.3861 120.5624 56.0196 42.4681 172.9951 95 R 4.4304 9.0259 118.4805 54.6240 33.3649 173.5065 96 M 5.2400 8.2412 121.3695 54.3736 35.6515 173.6777 97 T 4.6803 8.5202 112.7665 61.4300 71.6769 174.4663 98 G 3.8081 8.5612 112.7404 46.1467 0.0000 176.6769 99 S 4.2221 8.6844 115.3017 61.4016 63.1894 176.9335 100 T 3.8645 7.8443 117.7130 66.3927 67.8694 176.3576 101 L 4.4627 8.2000 120.9376 57.0572 41.4148 178.5265 102 K 4.4999 7.7505 115.5095 55.4688 33.0847 176.4529 103 K 4.5694 7.5135 119.8199 55.6479 34.5849 175.4959 104 N 5.6504 8.7872 119.6053 51.5962 40.6541 173.9367 105 W 5.6755 8.7975 120.5692 54.9044 32.6956 173.8155 106 N 4.8687 9.1936 119.7672 52.0808 38.9412 176.0290 107 I 3.6286 7.8381 125.7828 63.3950 39.2910 175.4778 108 W 5.7324 7.5503 130.1949 56.2204 34.2634 173.3741 109 Q 3.9611 7.0985 121.9480 55.3769 32.1690 172.4749 110 I 4.7772 7.9613 121.1649 59.4053 40.0120 174.9882 111 Q 5.1001 9.0790 125.2118 54.2189 32.3966 175.6793 112 D 4.8544 8.7836 120.8263 52.3026 41.2965 177.0065 113 S 4.2701 8.8864 113.5470 61.4331 62.7456 175.4051 114 S 4.3712 8.1614 114.7231 58.6604 63.1187 174.7292 115 G 4.0479 8.1870 108.7394 44.8663 0.0000 173.7649 116 K 4.1466 8.6680 120.8762 55.2576 33.0775 176.2982 117 E 4.3142 8.6927 124.6745 56.7434 30.3954 176.2777 118 Q 4.3206 9.2939 124.6145 57.2087 31.1048 175.7793 119 V 4.5187 7.0061 117.0678 61.3709 35.4795 173.5105 120 G 4.4693 7.9418 111.6364 46.3385 0.0000 172.2366 121 I 5.0351 8.2324 121.4570 59.3449 39.9253 174.5962 122 K 4.6019 9.1346 129.6938 54.6318 34.6155 175.2860 123 I 4.2171 8.1551 129.0848 60.1843 37.8246 173.9355 124 N 5.1727 9.1775 128.5705 51.8788 37.6731 175.5610 125 G 3.8311 9.2719 113.6435 47.4641 0.0000 173.6316 126 Q 4.0253 8.5987 118.9169 58.3528 28.7585 177.3946 127 T 4.4091 7.5612 104.3773 60.1371 69.9279 173.7922 128 Q 2.5200 7.4767 119.8537 57.0198 26.7847 172.1721 129 S 5.0189 8.2998 111.3217 56.8469 68.0414 174.0690 130 V 4.8789 8.9283 119.4180 61.0784 34.3078 174.1918 131 V 4.9051 9.0894 127.5724 61.1036 34.5918 173.6211 132 F 5.4517 9.2998 130.5449 56.9918 41.0901 174.4229 133 S 5.1901 8.3628 122.4748 57.0868 66.0461 172.7945 134 Y 5.2184 7.7481 119.2400 56.2851 41.6989 173.8087 135 K 4.4586 8.7224 121.0625 56.3590 33.6342 177.6220 136 G 4.2135 8.9339 114.7566 43.9720 0.0000 174.3591 137 L 3.9384 8.5540 118.8374 57.6423 41.4984 178.2868 138 D 4.5773 8.0897 115.1759 53.0888 39.6112 177.2523 139 G 3.9441 8.2738 109.3430 45.4644 0.0000 174.4310 140 S 4.1780 8.0408 114.7539 57.7670 63.8362 173.2047 141 L 4.5778 8.0749 124.3636 54.3804 42.0643 176.0231 142 Q 4.3802 8.4839 126.6715 55.1088 30.6620 175.1448 143 T 5.0511 8.0039 109.5191 60.0539 72.5338 173.4240 144 A 4.5124 9.2430 124.4556 50.3106 21.5702 174.8335 145 A 4.7441 8.3066 123.6710 51.3610 20.5898 176.4212 146 F 4.6653 9.1190 123.1665 57.1889 40.1433 176.0601 147 S 5.0428 8.5535 121.4379 57.1732 65.4877 173.2124 148 N 4.2228 8.4884 113.5436 55.7113 35.8411 174.6513 149 L 4.9479 7.7612 112.6844 53.8719 43.1711 179.7044 150 S 4.5156 8.6404 115.0179 60.8221 63.1851 176.6592 151 S 4.2240 8.1026 114.2117 60.4876 62.7884 174.8876 152 L 3.7068 8.0001 122.0047 56.4671 42.4268 176.8045 153 F 4.8145 8.1059 118.4089 57.4974 38.4523 175.5151 154 D 4.8582 7.8134 115.4911 52.9484 40.0320 177.4401 155 S 4.6239 8.1509 112.5820 59.6298 60.4524 170.2034 156 Q 4.4507 7.9191 119.3281 53.6182 30.2716 175.4633 157 W 4.1487 8.3481 119.4852 57.3795 29.8539 175.5915 158 H 5.2284 8.7753 118.3557 54.0830 33.5480 172.0769 159 K 5.4027 9.7680 122.1540 54.7381 34.9250 174.7675 160 I 5.1909 9.0610 120.9676 59.5419 40.6874 174.4843 161 M 5.4388 9.1686 123.3088 53.8395 36.7850 174.1319 162 I 4.9164 9.1055 123.3845 59.5185 41.0380 174.6274 163 G 4.1166 9.2533 115.7315 44.8682 0.0000 172.9868 164 V 4.0587 8.3748 128.6012 61.5757 31.9614 175.0432 165 E 4.7377 8.6559 128.2753 53.4554 32.1918 177.3282 166 R 3.9279 8.9356 120.4258 59.7090 30.0630 177.3114 167 S 5.0988 7.8300 111.3342 57.6135 65.1590 173.3252 168 S 5.0853 7.8519 111.7277 57.4518 66.6929 173.0099 169 A 5.0198 9.1374 122.5639 50.5449 22.1030 175.0336 170 T 4.8708 8.8274 119.3830 61.5874 71.6575 172.9637 171 L 4.7255 8.2837 128.7965 53.4366 44.0526 175.0102 172 F 5.2302 9.3216 124.6142 55.6213 42.7861 174.3059 173 V 4.7411 8.5379 122.1599 61.6164 34.5050 175.2687 174 D 4.3295 10.2046 128.8570 55.8730 38.9107 173.3474 175 C 4.1091 8.6379 110.2604 57.8528 38.8446 172.7841 176 N 5.1336 7.9454 117.2441 51.0676 40.5754 174.1156 177 R 3.7435 8.6575 123.6064 56.4725 30.8089 175.3201 178 I 4.1663 8.0518 126.7235 62.4173 38.1967 175.5901 179 E 4.7472 7.1719 119.3277 55.4600 32.8884 173.6725 180 S 5.2881 8.8073 118.6012 56.5176 65.1330 172.9435 181 L 5.0379 9.0186 126.4698 52.0613 45.1811 174.2239 182 P 5.0547 0.0000 0.0000 62.7942 32.3561 175.4683 183 I 4.8646 7.9905 114.2304 59.1867 40.5918 175.3409 184 K 4.4035 9.3389 124.2438 54.8411 32.9951 175.2651 185 P 4.3428 0.0000 0.0000 63.2722 31.7018 176.4854 186 R 4.6089 8.5494 121.4869 55.9948 31.0451 176.6552 187 G 4.2012 8.8745 111.9924 43.8690 0.0000 171.4048 188 P 4.7387 0.0000 0.0000 62.7754 31.8879 175.9037 189 I 4.4375 8.1494 113.9994 58.9036 40.1829 174.3001 190 D 4.5596 9.0683 122.0113 53.6762 41.7225 176.0123 191 I 4.3051 8.2608 118.9979 60.8124 37.9261 175.9940 192 D 4.6257 8.1477 118.8316 54.0114 40.4925 177.0182 193 G 4.6301 7.0607 106.7105 45.8369 0.0000 174.2444 194 F 5.5989 8.7794 122.3666 55.8052 44.1251 172.4009 195 A 5.0970 9.2222 123.1108 50.9834 20.5950 176.8805 196 V 5.2183 8.7931 114.9610 59.7759 36.5379 174.4938 197 L 4.8559 8.4689 122.0916 53.1915 44.1692 176.8873 198 G 4.3352 8.2574 109.5526 46.8589 0.0000 172.7574 199 K 5.0730 7.7867 116.6453 53.9456 35.2732 177.6945 200 L 4.3559 8.8523 126.7311 55.5722 42.0215 176.5926 201 A 4.2121 9.0964 129.1068 55.4091 18.2324 178.6934 202 D 4.2884 8.3018 113.1810 55.1514 40.3178 175.6946 203 N 4.7695 8.0073 121.0034 50.4495 38.9925 173.0623 204 P 4.3517 0.0000 0.0000 64.9752 31.3867 177.2004 205 Q 4.2078 8.5401 117.2999 56.3249 29.4025 175.2997 206 V 4.3497 7.9309 119.8000 61.2217 33.3061 174.8886 207 S 5.1257 8.7035 123.8872 57.7284 64.0861 173.5181 208 V 4.4152 8.4107 123.1480 60.2887 33.7472 173.0541 209 P 5.3083 0.0000 0.0000 62.5304 32.0563 175.1570 210 F 4.7247 8.0700 116.0335 56.5818 41.1085 171.8786 211 E 5.0003 9.1640 119.2904 54.4618 32.1560 175.0020 212 L 5.3560 9.1473 126.2652 53.6532 44.2133 176.2528 213 Q 4.9236 9.5756 126.6071 56.6026 31.6762 175.2641 214 W 5.2702 8.2417 126.7741 56.6539 34.6072 173.2234 215 M 4.5048 8.0726 125.7079 54.4021 35.1069 172.8590 216 L 5.0127 8.2098 127.8536 53.2370 46.5225 174.7024 217 I 4.8262 8.4446 125.5787 59.7664 39.9023 173.9356 218 H 5.0954 9.1623 127.3005 54.3079 32.1492 174.1535 219 C 4.4564 8.9105 122.5058 59.5296 41.7116 173.4706 220 D 4.6790 8.4185 119.3768 52.3044 40.6020 174.9263 221 P 4.3382 0.0000 0.0000 65.0801 31.6607 177.0056 222 L 4.3847 8.4985 118.6461 54.3773 42.0700 177.9855 223 R 3.7571 7.8786 121.2571 59.0124 30.0759 176.7895 224 P 4.0183 0.0000 0.0000 65.1144 31.4352 178.6411 225 R 3.7984 7.7065 117.1668 58.4535 29.9909 177.5486 226 R 4.4113 7.3919 112.3579 55.5984 29.6447 175.5792 227 E 4.2313 7.5849 119.5992 55.8358 30.4009 175.5267 228 T 4.6514 7.9947 114.2093 60.1752 72.1300 173.9105 229 C 5.2593 7.9131 115.7519 55.6910 41.1125 176.2449 230 H 4.0869 8.1064 117.7356 58.5298 28.5275 176.7585 231 E 4.2161 8.0632 115.6808 56.6724 30.0273 176.3415 232 L 4.7812 7.1959 120.8893 52.6329 40.6839 174.7469 233 P 4.4128 0.0000 0.0000 62.6646 31.2083 176.6727 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 19 E 8.44 4.32 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 20 L 8.10 3.90 0.00 1.73 1.72 0.32 0.44 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 21 C 7.78 4.94 0.00 3.03 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 22 P 0.00 4.74 0.00 2.20 2.07 0.00 3.83 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 1.99 2.01 0.00 23 K 8.39 4.33 0.00 1.78 1.80 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.48 7.81 24 I 7.90 4.34 1.88 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 1.28 0.61 0.91 0.00 0.00 *30 D 8.36 4.48 0.00 2.72 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 31 L 8.36 4.08 0.00 1.68 1.65 1.01 1.01 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 32 P 0.00 4.41 0.00 1.64 2.01 0.00 3.60 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 1.97 1.94 0.00 33 G 7.70 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 34 F 9.19 4.88 0.00 2.96 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.81 4.73 0.00 2.72 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 36 L 8.65 4.24 0.00 1.95 1.96 1.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.89 3.67 2.08 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.72 0.72 0.00 0.00 38 S 8.45 4.22 0.00 3.95 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.13 3.97 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.68 0.00 40 F 8.57 4.37 0.00 3.16 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.22 3.71 0.00 2.41 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 42 V 8.01 3.59 1.70 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 0.34 0.00 0.00 0.27 0.00 0.00 43 D 7.73 4.24 0.00 3.05 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 44 K 8.05 3.95 0.00 1.89 2.08 0.00 1.77 0.00 0.00 1.98 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.55 7.81 45 A 8.22 4.08 1.60 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 0.00 0.00 46 A 7.95 4.60 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.10 4.54 0.00 4.04 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 48 R 7.29 4.47 0.00 1.79 1.92 0.00 3.52 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.73 0.00 49 R 7.90 3.95 0.00 1.95 2.08 0.00 3.18 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 50 A 8.71 4.18 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 51 I 7.46 4.85 2.16 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.13 1.11 0.00 0.00 52 Q 8.60 4.54 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 53 R 8.49 4.94 0.00 1.68 1.65 0.00 3.32 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.72 0.00 54 V 8.62 4.58 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 0.68 0.00 0.00 1.02 0.00 0.00 55 V 8.41 3.89 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 0.72 0.00 0.00 0.90 0.00 0.00 56 G 9.04 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 57 S 8.05 3.57 0.00 3.73 3.17 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 58 A 7.05 4.63 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 59 T 8.63 3.78 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 1.18 0.00 0.00 60 L 7.65 4.33 0.00 1.55 1.63 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 7.99 4.43 0.00 1.80 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 62 V 8.18 4.63 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.58 0.00 0.00 63 A 8.92 4.92 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 64 Y 9.03 5.04 0.00 2.87 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 65 K 9.07 4.57 0.00 1.65 1.75 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.45 7.81 66 L 9.84 4.73 0.00 0.92 1.29 0.80 0.62 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 67 G 8.63 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 N 9.57 4.06 0.00 2.86 2.89 0.00 0.00 6.89 7.79 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 69 N 7.76 4.19 0.00 2.96 2.92 0.00 0.00 6.55 7.56 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 70 V 7.47 4.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.85 0.00 0.00 71 D 8.31 4.55 0.00 2.53 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 8.52 4.98 0.00 3.11 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 73 R 8.56 5.64 0.00 1.84 1.89 0.00 2.49 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 74 I 9.07 4.77 1.65 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.44 0.75 0.00 0.00 75 P 0.00 4.24 0.00 2.20 1.77 0.00 3.70 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 76 T 8.50 3.88 4.38 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 1.33 0.00 0.00 77 R 7.75 4.14 0.00 1.84 1.99 0.00 2.95 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 78 N 7.91 4.45 0.00 2.78 2.80 0.00 0.00 6.81 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.49 4.15 0.00 0.45 0.15 0.57 0.45 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 80 Y 7.84 4.90 0.00 2.91 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.22 0.00 2.16 2.17 0.00 3.80 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 2.11 1.97 0.00 82 S 8.00 4.59 0.00 3.87 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 83 G 8.09 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 84 L 8.00 4.22 0.00 1.57 1.21 0.87 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.59 0.00 2.39 2.13 0.00 3.47 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.01 0.00 86 E 8.92 4.16 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 87 E 7.89 5.54 0.00 1.95 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 2.21 2.11 0.00 88 Y 7.37 4.76 0.00 3.19 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 89 S 9.01 5.08 0.00 3.77 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 90 F 9.00 5.12 0.00 3.10 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.92 5.02 0.00 0.52 0.95 0.68 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.64 4.83 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 1.43 0.00 0.00 93 T 9.36 5.56 4.61 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 1.48 0.00 0.00 94 F 9.39 6.01 0.00 3.79 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 95 R 9.03 4.43 0.00 0.67 0.66 0.00 2.78 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.95 0.00 96 M 8.24 5.24 0.00 2.45 2.24 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 97 T 8.52 4.68 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 98 G 8.56 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.68 4.22 0.00 4.02 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 7.84 3.86 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 101 L 8.20 4.46 0.00 1.92 1.99 1.01 0.93 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 0.00 102 K 7.75 4.50 0.00 1.75 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.62 7.81 103 K 7.51 4.57 0.00 1.97 1.84 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.65 7.81 104 N 8.79 5.65 0.00 2.69 2.86 0.00 0.00 6.34 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 W 8.80 5.68 0.00 3.54 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 0.00 106 N 9.19 4.87 0.00 2.63 2.67 0.00 0.00 6.86 6.49 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 0.00 107 I 7.84 3.63 0.80 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.04 0.78 0.00 0.00 108 W 7.55 5.73 0.00 3.56 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 0.00 109 Q 7.10 3.96 0.00 1.85 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.52 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 110 I 7.96 4.78 1.67 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.14 0.90 0.00 0.00 111 Q 9.08 5.10 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.50 2.37 0.00 112 D 8.78 4.85 0.00 3.12 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 0.00 113 S 8.89 4.27 0.00 4.02 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 0.00 114 S 8.16 4.37 0.00 3.99 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.19 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 0.00 116 K 8.67 4.15 0.00 2.00 1.71 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.55 1.50 7.81 117 E 8.69 4.31 0.00 1.91 1.73 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 2.24 2.18 0.00 118 Q 9.29 4.32 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.50 0.00 0.00 0.00 0.00 0.00 2.24 2.55 0.00 119 V 7.01 4.52 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 1.34 0.00 0.00 0.98 0.00 0.00 120 G 7.94 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.23 5.04 1.59 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.83 0.00 0.00 122 K 9.13 4.60 0.00 1.67 1.70 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.27 1.45 7.81 123 I 8.16 4.22 0.56 0.00 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 -0.36 0.91 0.00 0.00 124 N 9.18 5.17 0.00 2.88 2.76 0.00 0.00 6.87 8.44 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 0.00 125 G 9.27 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Q 8.60 4.03 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.03 0.00 0.00 0.00 0.00 0.00 2.61 2.46 0.00 127 T 7.56 4.41 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 1.19 0.00 0.00 128 Q 7.48 2.52 0.00 2.05 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.63 0.00 0.00 0.00 0.00 0.00 1.25 1.90 0.00 129 S 8.30 5.02 0.00 4.08 3.98 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 0.00 130 V 8.93 4.88 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 1.12 0.00 0.00 1.01 0.00 0.00 131 V 9.09 4.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.96 0.00 0.00 132 F 9.30 5.45 0.00 3.35 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 0.00 133 S 8.36 5.19 0.00 3.75 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 0.00 134 Y 7.75 5.22 0.00 2.99 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.72 4.46 0.00 1.73 1.77 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.36 7.81 136 G 8.93 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 0.00 137 L 8.55 3.94 0.00 1.67 1.78 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 138 D 8.09 4.58 0.00 2.77 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 0.00 139 G 8.27 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 0.00 0.00 0.00 140 S 8.04 4.18 0.00 3.96 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.07 4.58 0.00 1.54 1.51 0.82 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 142 Q 8.48 4.38 0.00 0.93 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.49 0.00 0.00 0.00 0.00 0.00 2.02 2.24 0.00 143 T 8.00 5.05 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 1.08 0.00 0.00 144 A 9.24 4.51 1.28 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 0.00 0.00 145 A 8.31 4.74 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 0.00 146 F 9.12 4.67 0.00 3.13 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 0.00 147 S 8.55 5.04 0.00 3.78 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 0.00 148 N 8.49 4.22 0.00 2.87 2.90 0.00 0.00 6.60 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 0.00 149 L 7.76 4.95 0.00 2.09 1.76 1.10 0.91 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 0.00 150 S 8.64 4.52 0.00 4.05 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 0.00 151 S 8.10 4.22 0.00 4.02 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.00 3.71 0.00 1.54 1.81 0.68 0.46 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 0.00 153 F 8.11 4.81 0.00 3.07 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 D 7.81 4.86 0.00 2.80 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 0.00 155 S 8.15 4.62 0.00 4.06 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 0.00 156 Q 7.92 4.45 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.83 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 157 W 8.35 4.15 0.00 3.23 3.11 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 0.00 158 H 8.78 5.23 0.00 2.73 3.03 0.00 5.55 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 K 9.77 5.40 0.00 1.91 1.75 0.00 1.68 0.00 0.00 1.99 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.81 7.81 160 I 9.06 5.19 1.99 0.00 0.00 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 1.59 0.98 1.09 0.00 0.00 161 M 9.17 5.44 0.00 1.85 1.92 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 162 I 9.11 4.92 1.84 0.00 0.00 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 1.02 0.86 0.58 0.00 0.00 163 G 9.25 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 V 8.37 4.06 0.99 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 0.56 0.00 0.00 -0.06 0.00 0.00 165 E 8.66 4.74 0.00 1.99 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 2.32 2.02 0.00 166 R 8.94 3.93 0.00 1.76 1.99 0.00 3.18 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 167 S 7.83 5.10 0.00 3.76 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 0.00 168 S 7.85 5.09 0.00 3.90 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 0.00 169 A 9.14 5.02 1.19 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 0.00 170 T 8.83 4.87 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 0.74 0.00 0.00 171 L 8.28 4.73 0.00 0.27 0.45 0.78 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 172 F 9.32 5.23 0.00 2.93 2.90 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 0.00 173 V 8.54 4.74 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 0.98 0.00 0.00 0.93 0.00 0.00 174 D 10.20 4.33 0.00 2.84 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 0.00 175 C 8.64 4.11 0.00 3.17 3.24 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 0.00 176 N 7.95 5.13 0.00 2.91 2.70 0.00 0.00 6.68 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 R 8.66 3.74 0.00 1.66 1.75 0.00 3.11 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 1.32 0.93 0.00 178 I 8.05 4.17 1.81 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 1.22 0.93 0.90 0.00 0.00 179 E 7.17 4.75 0.00 2.04 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 2.45 2.30 0.00 180 S 8.81 5.29 0.00 3.83 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 0.00 181 L 9.02 5.04 0.00 1.43 1.40 0.18 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 182 P 0.00 5.05 0.00 2.09 2.05 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 183 I 7.99 4.86 1.50 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.61 0.99 0.00 0.00 184 K 9.34 4.40 0.00 1.97 1.89 0.00 1.88 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.53 7.81 185 P 0.00 4.34 0.00 2.08 2.03 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 186 R 8.55 4.61 0.00 1.75 1.97 0.00 2.73 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.93 0.00 187 G 8.87 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 0.00 0.00 0.00 0.00 188 P 0.00 4.74 0.00 2.09 2.08 0.00 3.74 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 1.98 0.00 189 I 8.15 4.44 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 1.31 0.72 0.93 0.00 0.00 190 D 9.07 4.56 0.00 2.66 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 0.00 191 I 8.26 4.31 1.85 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 1.45 0.69 0.98 0.00 0.00 192 D 8.15 4.63 0.00 2.73 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 0.00 193 G 7.06 4.63 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 0.00 194 F 8.78 5.60 0.00 2.98 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 0.00 195 A 9.22 5.10 1.60 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 0.00 0.00 196 V 8.79 5.22 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 1.04 0.00 0.00 0.92 0.00 0.00 197 L 8.47 4.86 0.00 1.56 1.65 0.35 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 198 G 8.26 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 K 7.79 5.07 0.00 1.73 1.74 0.00 1.83 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.52 7.81 200 L 8.85 4.36 0.00 1.75 1.78 1.05 1.06 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 0.00 201 A 9.10 4.21 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 D 8.30 4.29 0.00 2.78 2.81 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 0.00 0.00 0.00 203 N 8.01 4.77 0.00 2.74 2.74 0.00 0.00 6.98 7.87 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 0.00 204 P 0.00 4.35 0.00 2.20 2.16 0.00 3.80 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 1.98 1.99 0.00 205 Q 8.54 4.21 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 206 V 7.93 4.35 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.02 0.00 0.00 207 S 8.70 5.13 0.00 3.82 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 0.00 208 V 8.41 4.42 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 0.35 0.00 0.00 0.85 0.00 0.00 209 P 0.00 5.31 0.00 2.09 2.01 0.00 3.32 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.76 0.00 210 F 8.07 4.72 0.00 3.38 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 E 9.16 5.00 0.00 1.58 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 2.23 2.15 0.00 212 L 9.15 5.36 0.00 1.69 1.53 1.37 0.39 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 0.00 213 Q 9.58 4.92 0.00 1.86 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.30 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 214 W 8.24 5.27 0.00 3.34 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 0.00 215 M 8.07 4.50 0.00 1.99 1.79 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 216 L 8.21 5.01 0.00 1.14 0.39 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 217 I 8.44 4.83 1.93 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 0.95 0.30 0.87 0.00 0.00 218 H 9.16 5.10 0.00 3.10 3.08 0.00 5.59 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 C 8.91 4.46 0.00 2.99 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 D 8.42 4.68 0.00 2.75 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 P 0.00 4.34 0.00 2.17 2.30 0.00 3.82 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 1.98 1.98 0.00 222 L 8.50 4.38 0.00 1.76 1.70 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 223 R 7.88 3.76 0.00 1.74 1.90 0.00 3.00 0.00 0.00 2.74 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 224 P 0.00 4.02 0.00 0.96 1.36 0.00 3.53 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.90 0.00 225 R 7.71 3.80 0.00 1.82 1.98 0.00 3.20 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.58 0.00 226 R 7.39 4.41 0.00 1.82 1.96 0.00 3.01 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 227 E 7.58 4.23 0.00 1.84 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 2.21 0.00 228 T 7.99 4.65 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 1.12 0.00 0.00 229 C 7.91 5.26 0.00 2.95 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 H 8.11 4.09 0.00 3.05 3.29 0.00 5.71 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 E 8.06 4.22 0.00 1.95 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 2.20 2.05 0.00 232 L 7.20 4.78 0.00 1.80 1.67 0.98 0.90 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 0.00 233 P 0.00 4.41 0.00 2.02 1.95 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 * Residues marked with a * may have inaccurate shift predictions.