NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 43 N 4.2910 8.4093 119.1899 53.4632 40.0893 172.9535 *45 Y 5.0082 7.8332 120.1065 57.0793 40.1399 173.4908 46 S 5.1854 9.1528 113.3904 57.1115 66.7574 172.3899 47 Y 5.4678 8.1512 117.5891 56.0535 41.3969 173.7656 48 K 4.6109 9.2877 120.6539 54.6896 35.7017 174.7129 49 K 4.7038 9.0404 129.1236 55.8332 33.4551 176.2097 50 I 4.3938 8.5938 128.3717 59.9094 39.6182 176.7226 51 G 3.6962 8.0946 118.3189 46.9178 0.0000 172.6435 52 N 4.6163 8.7574 123.0747 52.6404 37.5996 173.9479 53 K 5.1428 7.9575 118.5078 55.0187 36.3553 174.4671 54 Y 5.2695 9.1511 119.5552 56.4427 41.6297 174.7559 55 I 4.6887 9.1134 125.5948 60.1549 39.0048 174.7670 56 V 4.6513 9.1454 128.1076 61.0164 34.0242 174.1145 57 S 5.1544 9.2791 123.7514 56.6427 63.8161 173.0655 58 I 4.4818 8.5910 128.9734 60.7577 37.7064 176.4485 59 N 4.5000 8.8110 123.0844 52.9575 39.1010 174.7578 60 N 4.3047 8.4996 119.3758 55.2273 39.6124 174.7403 61 H 4.4864 8.3251 117.9359 56.9093 27.0826 174.9135 62 T 4.5635 7.1432 116.1394 61.7613 70.6179 173.5492 63 E 4.6226 8.4721 124.7514 55.6837 30.4884 177.5459 64 I 3.6690 8.7157 129.1521 64.2970 37.1328 178.7378 65 V 3.4443 7.8852 118.6518 65.7773 31.4419 177.7130 66 K 3.8357 8.5773 119.4254 59.4723 31.9405 178.4961 67 A 4.1192 8.1352 120.9011 55.2937 18.3488 179.6253 68 L 3.7969 8.1206 117.8152 57.9152 41.6164 179.4875 69 N 4.2738 8.3880 116.3947 56.2681 38.4079 177.3272 70 A 4.0071 8.2639 122.2564 54.9912 18.5122 179.3469 71 F 3.7617 8.3772 120.8729 61.0405 39.3388 177.2014 72 C 3.9566 8.1636 116.2154 62.5715 27.7214 176.3508 73 K 3.8827 8.1215 120.1796 59.4192 31.4446 179.0095 74 E 3.8563 8.1350 118.7225 58.6975 29.6350 178.0833 75 K 4.0610 7.3741 115.4467 54.8896 32.7074 176.5134 76 G 3.8698 7.3747 107.3641 46.3793 0.0000 174.3240 77 I 4.0025 7.6556 120.3851 60.5471 38.2277 176.7837 78 L 4.2004 8.7339 126.0928 57.4129 42.0689 176.8723 79 S 5.0957 6.3669 109.8318 57.4475 65.6581 174.1111 80 G 3.0564 7.2570 106.2639 45.1148 0.0000 170.9741 81 S 5.2050 7.3102 112.3145 56.5315 67.0095 173.0443 82 I 5.1058 8.5947 121.0725 59.8294 40.9523 174.3257 83 N 6.0495 8.4511 122.9505 51.3958 43.4930 174.7113 84 G 3.6876 8.2099 108.8700 45.8513 0.0000 171.3439 85 I 4.8115 7.2321 111.8968 58.8680 41.9399 174.7630 86 G 3.8702 6.7285 106.1495 46.4727 0.0000 170.8253 87 A 5.3057 8.1232 120.6848 50.0717 22.2141 175.7363 88 I 5.1587 8.3193 112.7232 59.4124 41.4468 175.5897 89 G 4.2945 9.2262 108.5349 45.4415 0.0000 172.2364 90 E 5.1532 7.8665 120.3360 55.0865 33.5130 173.4393 91 L 5.1606 9.1280 127.4829 53.9900 46.3332 174.4712 92 T 5.1998 9.2207 122.9308 61.9139 71.2801 173.1091 93 L 5.3613 9.0518 126.3688 52.9384 45.1080 175.4200 94 R 5.1957 8.7789 121.6535 54.5556 32.7877 174.6442 95 F 4.7341 9.5345 128.3405 56.3971 41.5494 174.0288 96 F 4.4138 8.3108 128.9965 56.8230 39.9404 174.2325 97 N 4.5217 7.9755 127.1978 51.5558 38.7125 172.9999 98 P 4.0993 0.0000 0.0000 65.0276 31.6163 178.0463 99 K 4.2040 8.0886 120.1249 55.3089 33.0561 181.7322 *104 D 4.6232 7.7216 118.0987 54.7215 41.6169 179.7828 105 D 5.5784 8.7380 122.3395 51.8750 43.6625 175.7604 106 K 4.5435 9.0159 121.9270 55.1641 36.1008 174.7668 107 T 5.0594 8.3350 123.0314 61.8829 70.8087 173.4629 108 F 4.6326 9.4897 125.3880 56.0175 41.4015 175.3087 109 R 5.2037 8.2881 122.1763 52.9590 30.5177 173.8816 110 E 4.7932 8.4184 120.0731 55.4231 33.6019 175.6748 111 Q 4.5787 8.5367 121.5587 55.2467 30.5985 174.6548 *113 E 4.1088 8.4698 120.5928 56.1745 31.5996 175.3535 114 I 4.4295 8.8658 126.1680 60.9032 37.1715 176.8445 115 S 4.2888 8.7894 123.9414 60.9732 64.0122 174.4642 116 N 4.9576 7.8449 116.9438 52.2719 42.4978 172.8089 117 L 5.2358 8.8614 127.7280 53.5998 45.2581 174.9760 118 T 5.1974 8.5150 122.5327 62.1068 72.1674 173.6141 119 G 4.1927 8.5361 111.9584 45.9931 0.0000 171.2399 120 N 5.7271 8.9433 116.4175 51.2799 41.7472 173.3658 121 I 5.2258 8.7142 119.9154 60.0683 40.7937 175.4965 122 S 5.1072 9.0752 119.2081 58.7894 66.3031 171.3308 123 S 5.4014 8.3505 113.9346 57.0954 66.6589 174.3891 *125 N 4.3503 8.5522 111.1328 53.9168 39.6337 175.6043 126 E 3.9171 8.4324 114.9156 56.7915 28.1589 174.6484 127 Q 4.4002 7.4190 118.1669 54.2206 29.9261 175.2420 128 V 4.0301 8.4231 122.2186 64.0658 32.3302 174.4312 129 Y 4.5597 9.1984 128.0838 55.9029 41.5995 173.6797 130 L 5.1379 8.2760 126.8313 53.2595 43.9941 175.4487 131 H 4.8349 9.0713 124.5446 54.5522 31.7028 172.7476 132 L 5.1239 8.3174 125.6125 53.2333 45.2330 175.7075 133 H 5.4415 9.1643 120.2212 54.3608 32.7430 172.7085 134 I 5.1092 8.4348 118.3609 60.3109 42.0554 173.4054 135 T 5.1955 9.2181 123.8123 61.9285 71.9312 173.5214 136 V 4.9192 8.9463 118.8354 59.4571 36.0416 174.6020 137 G 4.3338 9.0147 110.0385 44.7362 0.0000 173.8665 138 R 4.4881 8.5694 123.6608 54.2477 31.8779 177.5784 139 S 3.8411 8.3602 112.8360 60.6854 62.9457 174.5850 140 D 4.5779 7.8164 119.1238 52.9372 39.3158 176.9200 141 Y 3.7093 7.6507 116.4796 58.3948 36.7798 169.8777 142 S 4.4521 8.2210 115.2846 58.3579 64.4030 173.0079 143 A 5.1954 8.4576 122.9282 50.4835 20.9348 176.0902 144 L 4.8233 8.5566 120.5392 53.1299 45.0151 175.5296 145 A 4.9721 7.9598 121.7309 50.4858 22.5270 176.8903 146 G 3.8593 7.9028 106.1212 46.1782 0.0000 170.5415 147 H 4.4332 8.0599 119.7839 55.9373 31.0234 175.1192 148 L 4.5632 8.5110 128.9207 54.7523 42.2818 175.7108 149 L 4.4531 8.8605 129.6557 56.8543 42.5011 176.3973 150 S 4.9119 7.7578 110.5552 57.9058 66.2120 172.9071 151 A 4.9658 9.2166 120.8308 51.2319 23.1929 175.2871 152 I 4.7554 8.4641 123.1432 59.4371 39.3482 175.2833 153 Q 4.4558 8.9707 129.6920 56.3349 30.1152 175.1123 154 N 4.9590 9.3236 124.2887 48.8132 38.6672 172.8550 155 G 3.8936 8.3124 116.8611 44.2804 0.0000 172.0047 156 A 4.5208 8.3449 128.8222 50.9703 21.6661 176.7527 157 G 4.6161 8.1695 106.0553 46.0175 0.0000 172.1251 158 E 4.9796 8.6077 127.7843 54.0170 32.4324 175.3107 159 F 5.2679 9.0798 123.5043 55.4098 43.4806 174.3967 160 V 4.6614 9.0888 122.8169 61.2695 33.7040 174.4126 161 V 4.7886 8.9285 128.8270 61.2195 33.7221 173.7033 162 E 4.8209 9.0144 130.2715 55.1683 31.2124 174.1139 163 D 5.1733 8.8886 127.7708 53.3519 40.4301 175.7573 164 Y 4.5226 9.0593 124.4046 57.9235 39.3075 176.5077 165 S 3.8401 8.5893 114.2331 59.1864 61.1433 171.8625 166 E 4.7027 7.6779 115.5512 54.2809 33.1882 175.7460 167 R 4.0598 8.6402 123.7636 56.4562 30.9594 175.6426 168 I 4.6779 8.3213 124.8022 59.9754 41.2166 174.5318 169 S 5.6607 8.7015 121.1956 56.0764 65.4857 172.2863 170 R 5.2005 8.2442 119.4970 54.6017 34.2309 175.1488 171 T 4.6250 8.6622 117.0795 61.5807 72.4069 173.0135 172 Y 4.5678 8.7381 127.6748 57.9421 40.2189 173.9335 173 N 4.7798 8.6016 126.9505 51.2154 39.5373 173.7449 174 P 3.9881 0.0000 0.0000 65.1912 31.9924 177.6376 175 D 4.4503 7.9907 118.9435 56.8185 40.8013 177.3067 176 L 4.2753 7.9540 117.1314 54.5293 42.4581 177.1815 177 G 4.1815 8.2060 106.0284 45.8048 0.0000 172.9653 178 L 4.7220 7.1269 117.2939 52.4676 46.3213 175.5539 179 N 5.1345 8.6776 119.2898 52.4683 39.2889 174.4531 180 I 4.3328 8.1438 125.2916 59.0403 40.0271 175.1626 181 Y 4.4915 8.3385 122.8924 59.0345 38.4841 176.3537 182 D 4.3918 8.8301 122.1532 52.3322 41.9519 175.6967 183 F 4.6927 8.0903 123.7859 59.0141 39.4117 176.5959 184 E 4.3400 7.8854 118.4238 57.1155 29.9948 176.5131 185 R 4.1650 7.6022 118.6788 56.2173 29.7369 176.1506 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 43 N 8.41 4.29 0.00 2.63 2.73 0.00 0.00 6.99 6.66 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 *45 Y 7.83 5.01 0.00 3.30 3.22 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 46 S 9.15 5.19 0.00 3.90 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 47 Y 8.15 5.47 0.00 3.18 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.29 4.61 0.00 1.84 1.71 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.40 7.81 49 K 9.04 4.70 0.00 2.16 1.81 0.00 1.92 0.00 0.00 1.75 0.00 0.00 2.60 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.22 0.86 7.81 50 I 8.59 4.39 1.86 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 1.24 0.77 0.90 0.00 0.00 51 G 8.09 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 52 N 8.76 4.62 0.00 3.07 3.06 0.00 0.00 5.73 7.20 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 53 K 7.96 5.14 0.00 1.81 1.71 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.37 7.81 54 Y 9.15 5.27 0.00 2.81 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 9.11 4.69 1.94 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 1.16 0.98 0.93 0.00 0.00 56 V 9.15 4.65 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 0.58 0.00 0.00 0.00 0.00 0.00 57 S 9.28 5.15 0.00 3.91 3.79 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 58 I 8.59 4.48 2.25 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 1.31 0.85 1.02 0.00 0.00 59 N 8.81 4.50 0.00 2.75 2.78 0.00 0.00 6.92 8.00 0.00 0.00 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 N 8.50 4.30 0.00 2.73 2.53 0.00 0.00 7.09 7.89 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 61 H 8.33 4.49 0.00 3.40 3.38 0.00 5.68 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.14 4.56 4.42 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 1.26 0.00 0.00 63 E 8.47 4.62 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.34 0.00 64 I 8.72 3.67 1.82 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.58 0.56 0.00 0.00 65 V 7.89 3.44 2.29 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 1.08 0.00 0.00 0.89 0.00 0.00 66 K 8.58 3.84 0.00 1.97 1.97 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.47 7.81 67 A 8.14 4.12 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 68 L 8.12 3.80 0.00 1.52 1.57 0.43 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.39 4.27 0.00 2.93 2.84 0.00 0.00 6.93 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 70 A 8.26 4.01 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 71 F 8.38 3.76 0.00 2.29 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 72 C 8.16 3.96 0.00 3.09 2.91 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 73 K 8.12 3.88 0.00 1.91 1.81 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.59 7.81 74 E 8.14 3.86 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.32 0.00 75 K 7.37 4.06 0.00 1.01 1.30 0.00 1.53 0.00 0.00 1.28 0.00 0.00 2.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 76 G 7.37 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 77 I 7.66 4.00 1.81 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 1.30 0.39 0.99 0.00 0.00 78 L 8.73 4.20 0.00 1.81 1.83 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 79 S 6.37 5.10 0.00 4.24 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.26 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 0.00 0.00 0.00 81 S 7.31 5.21 0.00 3.90 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 82 I 8.59 5.11 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.98 0.86 0.00 0.00 83 N 8.45 6.05 0.00 2.64 2.68 0.00 0.00 6.62 6.89 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 84 G 8.21 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 85 I 7.23 4.81 1.79 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 0.99 1.03 0.90 0.00 0.00 86 G 6.73 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 87 A 8.12 5.31 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 88 I 8.32 5.16 2.00 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 1.30 0.95 0.96 0.00 0.00 89 G 9.23 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 0.00 0.00 0.00 90 E 7.87 5.15 0.00 2.05 1.77 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 2.32 2.33 0.00 91 L 9.13 5.16 0.00 1.83 1.59 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 92 T 9.22 5.20 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 1.25 0.00 0.00 93 L 9.05 5.36 0.00 1.77 1.68 0.96 0.60 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 94 R 8.78 5.20 0.00 1.90 1.80 0.00 3.15 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 95 F 9.53 4.73 0.00 3.05 2.96 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 96 F 8.31 4.41 0.00 2.81 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 97 N 7.98 4.52 0.00 2.70 2.52 0.00 0.00 7.25 7.69 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 98 P 0.00 4.10 0.00 2.06 2.15 0.00 3.63 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 2.03 2.13 0.00 99 K 8.09 4.20 0.00 1.77 1.69 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 1.22 7.81 *104 D 7.72 4.62 0.00 2.39 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 0.00 105 D 8.74 5.58 0.00 2.55 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 0.00 106 K 9.02 4.54 0.00 1.70 1.56 0.00 1.43 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.42 1.05 7.81 107 T 8.34 5.06 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 1.27 0.00 0.00 108 F 9.49 4.63 0.00 3.01 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 0.00 109 R 8.29 5.20 0.00 1.65 1.84 0.00 3.22 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 110 E 8.42 4.79 0.00 1.99 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 2.17 2.15 0.00 111 Q 8.54 4.58 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.53 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 *113 E 8.47 4.11 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 114 I 8.87 4.43 2.08 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.89 1.01 0.00 0.00 115 S 8.79 4.29 0.00 3.90 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 0.00 116 N 7.84 4.96 0.00 2.85 2.66 0.00 0.00 6.63 6.66 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 0.00 117 L 8.86 5.24 0.00 1.91 1.72 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.51 5.20 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 1.23 0.00 0.00 119 G 8.54 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 0.00 120 N 8.94 5.73 0.00 2.98 3.01 0.00 0.00 7.20 8.06 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 0.00 121 I 8.71 5.23 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.13 0.93 0.00 0.00 122 S 9.08 5.11 0.00 4.24 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 0.00 123 S 8.35 5.40 0.00 3.97 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 *125 N 8.55 4.35 0.00 2.89 2.91 0.00 0.00 6.91 7.66 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 0.00 126 E 8.43 3.92 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 127 Q 7.42 4.40 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 128 V 8.42 4.03 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 0.72 0.00 0.00 0.91 0.00 0.00 129 Y 9.20 4.56 0.00 3.02 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 0.00 130 L 8.28 5.14 0.00 1.41 1.47 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 131 H 9.07 4.83 0.00 3.32 3.37 0.00 5.54 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.32 5.12 0.00 1.52 1.45 0.81 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 133 H 9.16 5.44 0.00 2.98 3.15 0.00 5.64 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.43 5.11 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.42 0.92 0.00 0.00 135 T 9.22 5.20 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 1.25 0.00 0.00 136 V 8.95 4.92 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 0.69 0.00 0.00 0.84 0.00 0.00 137 G 9.01 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 0.00 0.00 0.00 0.00 138 R 8.57 4.49 0.00 1.98 1.80 0.00 2.99 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 139 S 8.36 3.84 0.00 3.84 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 0.00 140 D 7.82 4.58 0.00 2.83 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 0.00 141 Y 7.65 3.71 0.00 3.16 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 0.00 142 S 8.22 4.45 0.00 3.91 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 0.00 143 A 8.46 5.20 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.56 4.82 0.00 1.31 1.27 -0.23 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.96 4.97 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 0.00 146 G 7.90 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 0.00 0.00 0.00 147 H 8.06 4.43 0.00 3.20 3.38 0.00 5.86 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.51 4.56 0.00 1.66 1.69 1.02 1.26 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 0.00 149 L 8.86 4.45 0.00 1.74 1.87 0.93 0.83 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 0.00 150 S 7.76 4.91 0.00 4.02 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 0.00 151 A 9.22 4.97 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 0.00 152 I 8.46 4.76 1.90 0.00 0.00 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 1.14 0.99 0.95 0.00 0.00 153 Q 8.97 4.46 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 154 N 9.32 4.96 0.00 2.70 2.66 0.00 0.00 7.19 7.74 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 0.00 155 G 8.31 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 0.00 156 A 8.34 4.52 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 G 8.17 4.62 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 0.00 0.00 0.00 158 E 8.61 4.98 0.00 1.59 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 159 F 9.08 5.27 0.00 2.82 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 0.00 160 V 9.09 4.66 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.94 0.00 0.00 161 V 8.93 4.79 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.76 0.00 0.00 162 E 9.01 4.82 0.00 2.13 1.77 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 2.37 2.32 0.00 163 D 8.89 5.17 0.00 2.87 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 0.00 164 Y 9.06 4.52 0.00 2.93 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 S 8.59 3.84 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 0.00 166 E 7.68 4.70 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 2.41 2.36 0.00 167 R 8.64 4.06 0.00 1.80 1.87 0.00 3.20 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 168 I 8.32 4.68 2.03 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 1.31 1.00 1.05 0.00 0.00 169 S 8.70 5.66 0.00 3.90 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 R 8.24 5.20 0.00 1.36 1.56 0.00 2.21 0.00 0.00 2.64 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.49 0.00 171 T 8.66 4.63 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 172 Y 8.74 4.57 0.00 3.11 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 0.00 173 N 8.60 4.78 0.00 2.58 2.54 0.00 0.00 6.54 7.50 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 0.00 174 P 0.00 3.99 0.00 2.25 2.31 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 175 D 7.99 4.45 0.00 2.81 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 0.00 176 L 7.95 4.28 0.00 1.50 1.69 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 177 G 8.21 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 0.00 0.00 0.00 0.00 178 L 7.13 4.72 0.00 1.36 1.30 0.76 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 179 N 8.68 5.13 0.00 2.42 2.47 0.00 0.00 6.85 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 I 8.14 4.33 1.75 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.93 0.82 0.00 0.00 181 Y 8.34 4.49 0.00 2.46 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 0.00 0.00 0.00 182 D 8.83 4.39 0.00 2.52 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 F 8.09 4.69 0.00 3.07 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 0.00 184 E 7.89 4.34 0.00 2.01 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 2.35 2.41 0.00 185 R 7.60 4.16 0.00 1.97 2.02 0.00 3.24 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.