NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5038 8.3349 116.7999 58.1512 64.2638 173.5269 1 K 4.0669 8.5324 124.7451 55.1870 32.7193 175.3275 2 L 4.1706 9.0289 122.7272 55.1206 43.1101 176.3951 3 L 4.6192 8.9639 120.8820 54.1933 43.5345 176.0665 4 G 4.1952 8.1741 107.3100 44.3925 0.0000 171.5556 5 V 4.9667 8.7370 119.3243 60.7889 34.1859 174.8157 6 N 4.9743 9.1462 127.4835 53.2905 39.7620 175.8057 7 S 4.1576 8.9831 119.9292 61.7551 62.9355 176.4513 8 F 4.1691 9.1453 122.7810 61.3565 39.0378 176.6749 9 A 3.7983 8.1550 118.7407 53.7993 18.3282 179.3114 10 L 4.0227 7.8679 118.1774 57.5045 41.2211 179.2453 11 R 3.9250 7.4120 117.9186 59.3512 29.9146 178.0279 12 Q 3.3558 7.7490 115.6163 56.2786 28.5093 176.8475 13 F 4.7473 7.7501 117.4786 56.8562 39.4699 175.1183 14 V 4.3113 7.3898 121.3115 60.4960 32.5268 174.5199 15 E 2.8178 8.6289 127.3061 57.8781 29.4772 176.9231 16 G 3.9030 8.4686 113.4304 45.1196 0.0000 173.0862 17 Y 4.0570 7.5133 121.6213 57.8117 39.2432 175.8041 18 R 4.2187 7.7174 126.8273 52.8475 29.3917 177.0760 19 G 3.6865 7.4440 113.0390 44.8397 0.0000 172.6515 20 S 4.3171 8.5167 122.3782 58.4404 61.8449 172.3484 21 Y 4.5450 8.4239 127.1041 56.9657 39.5117 174.4391 22 I 3.8472 7.5932 128.5999 59.1477 37.9248 173.8421 23 P 4.0117 0.0000 0.0000 61.7027 33.4118 175.9410 24 R 3.8454 8.4445 115.8928 57.4452 27.5308 177.0313 *26 S 4.2509 7.5363 112.7749 57.5481 65.3034 172.6958 27 P 3.2329 0.0000 0.0000 65.4092 30.9586 178.3705 28 Y 3.8912 7.8810 117.9300 60.6671 38.7964 177.6244 29 E 3.9134 8.2333 120.0255 59.1252 29.7567 178.2065 30 F 4.2526 8.6251 121.1249 61.5437 39.3703 176.9223 31 L 3.8876 8.2564 119.8383 57.9864 41.9595 178.4667 32 R 3.6242 7.9308 119.0688 59.8651 29.8779 178.1693 33 N 4.0275 7.7988 115.7947 55.8735 38.3114 177.7422 34 V 3.5057 7.3829 119.7103 66.1214 31.6366 177.9666 35 N 4.3444 8.2927 116.4177 56.2164 38.3204 177.2847 36 N 4.2855 7.9514 117.6886 56.1828 38.6121 176.6529 37 Y 3.8149 7.9897 120.9831 60.6913 38.7456 178.2534 38 I 3.7085 7.9802 120.5740 64.5488 37.0508 178.1470 39 I 3.6397 7.4836 118.9360 64.8254 37.0950 178.0438 40 E 4.0940 7.9558 117.2781 58.1760 29.4336 177.4288 41 N 4.5096 7.7704 113.8235 52.4975 41.0891 174.7765 42 N 3.9945 8.0565 110.7480 54.1235 36.8614 171.5610 43 P 4.5804 0.0000 0.0000 61.8448 32.7418 177.1684 44 T 3.9758 8.2724 116.6005 63.0550 68.7830 174.1844 45 L 4.0599 8.5456 129.0095 55.4896 42.8369 175.9113 46 V 4.4947 8.7791 128.0060 60.8780 33.4756 174.7559 47 D 4.5582 8.8679 127.9899 53.8273 39.9879 176.6069 48 G 4.4824 8.5845 110.3993 45.5759 0.0000 173.7944 49 Y 4.1582 9.0924 117.6380 59.0468 38.6443 175.2895 50 A 4.2882 6.5662 122.5280 49.9543 22.3140 176.4224 51 D 4.3335 8.3520 119.0545 56.0519 39.3374 177.5652 52 F 4.7935 7.1349 112.7799 56.6130 38.5683 173.9126 53 C 5.3587 7.6557 122.3908 57.8900 34.1450 172.9221 54 K 5.1025 8.9125 124.3472 54.8231 36.4260 174.5647 55 H 5.1849 9.3166 117.1825 54.2040 33.0231 172.9929 56 I 4.7392 8.2856 121.8873 59.4414 40.7498 174.3343 57 F 5.2165 8.7824 124.0968 55.8876 40.9789 175.1435 58 I 4.6201 8.8508 123.8942 58.4748 41.5125 173.0592 59 P 4.5457 0.0000 0.0000 63.2226 31.8740 175.3639 60 N 4.3125 8.7341 123.6946 53.9472 38.7700 174.5208 61 F 4.6310 8.2506 121.2259 56.9045 38.8027 175.4516 62 T 4.4786 7.1999 111.9967 60.2189 70.6427 174.1220 63 E 4.1441 8.4307 118.5603 56.4124 29.9900 176.8546 64 A 3.9806 7.6572 122.3441 52.9121 19.0763 177.5666 65 K 4.8060 8.5210 121.5879 54.5922 34.3989 176.2856 66 Q 4.2058 8.3501 123.1959 57.4231 29.2052 176.9256 67 S 4.8689 8.8204 118.2364 58.0027 64.9378 173.2085 68 I 5.2166 7.8996 121.3178 59.7733 39.7843 174.7924 69 V 4.4860 8.7909 126.8632 60.4142 34.3221 174.6809 70 K 4.2018 8.6646 128.7310 56.8341 32.6014 176.0786 71 I 4.6522 8.7280 129.4459 61.2520 37.7492 175.3157 72 T 4.7410 9.5567 115.6979 59.4184 72.0245 174.5598 73 N 4.5190 8.7070 117.6443 55.4453 38.4633 176.1726 74 E 4.3884 8.0794 114.7694 56.3538 30.5749 175.9639 75 N 4.9551 7.8309 116.1881 52.6405 38.5707 176.4541 76 E 3.9636 7.9771 120.8639 59.2911 29.6863 178.7228 77 K 4.0167 7.7083 115.7865 58.8768 32.5958 176.7655 78 Y 4.7275 7.4677 116.1056 58.1972 38.5119 175.8072 79 I 3.5746 7.4308 121.9680 61.2271 37.5957 175.4122 80 K 4.2467 8.5620 128.7541 54.6414 34.1955 175.0113 81 T 4.8428 8.2067 115.1356 59.3334 72.1620 172.9409 82 G 4.2009 8.1269 110.7107 46.7412 0.0000 171.2497 83 Y 4.8338 8.5372 118.0690 56.8201 38.6188 175.6039 84 I 4.7410 8.6471 125.5045 59.3348 41.2693 174.8613 85 S 4.9569 8.5531 120.7444 56.8591 64.2239 174.8038 86 R 4.0244 8.7332 121.5734 59.1312 30.3723 176.6212 87 R 4.6233 7.4823 111.8432 54.8994 31.9723 175.3353 88 D 4.4226 8.7125 118.4956 57.5909 40.8205 178.1758 89 E 4.1363 8.2211 116.6803 57.9465 29.7337 176.3775 90 E 4.6966 8.0442 119.3663 53.8397 31.3951 175.7711 91 I 3.9341 8.3300 116.3503 60.8925 37.8426 173.9947 92 P 4.7744 0.0000 0.0000 63.2365 32.3124 175.7795 93 V 4.7613 8.8222 114.0220 59.2112 36.3976 174.6565 94 L 3.9009 8.4414 125.4031 55.4010 42.4329 176.2697 95 S 4.9691 9.3427 121.9052 56.7058 67.5651 173.0247 96 R 5.3129 8.3739 117.4439 54.6291 32.2918 174.4134 97 W 4.9624 8.2676 116.1758 55.8806 32.2867 172.9438 98 F 5.0045 9.1900 120.7011 55.6042 39.9519 174.4558 99 P 4.8516 0.0000 0.0000 62.1771 31.9270 177.1762 100 K 3.8635 9.0068 124.5534 60.1615 32.0960 178.1526 *101 D 4.6069 7.9896 115.9576 54.3403 40.5805 180.1825 102 S 4.1583 7.7364 112.3356 58.1653 63.5651 173.8639 103 P 4.0781 0.0000 0.0000 65.0617 31.1765 177.2121 104 P 4.0329 0.0000 0.0000 64.3827 31.0366 176.8128 105 A 4.4192 7.5303 120.3156 52.7335 19.7490 179.3261 106 S 3.9887 7.4083 109.9721 60.9159 63.3340 175.8065 107 Q 4.1058 7.8873 118.2359 58.2992 29.0109 176.4386 108 L 4.1911 7.0902 117.6092 55.3046 42.5412 176.6917 109 I 4.6689 7.9089 114.3264 58.2635 41.8342 173.6061 110 K 4.3600 8.6327 121.7880 56.8892 32.0088 176.4240 111 S 4.5818 8.5900 122.1374 57.8825 64.1740 174.4644 112 K 3.9274 9.2177 121.7817 58.9591 32.9947 176.5050 113 Y 5.4741 8.4442 116.0679 56.0890 42.8339 174.4841 114 L 5.1617 9.2408 120.1956 53.1300 45.1382 175.4273 115 D 4.6743 9.4446 124.2100 53.0910 42.8143 174.9859 116 I 4.7579 8.3935 128.3097 59.9085 39.2011 174.7903 117 I 4.6353 8.7123 129.2301 59.7799 38.9981 174.8609 118 L 5.4520 8.9296 127.1221 53.2516 44.8378 175.1162 119 Y 6.0158 9.0804 120.4000 56.0371 41.3704 175.5319 120 S 4.2639 9.3944 118.0194 58.1143 63.8558 175.4360 121 K 4.0738 8.9555 122.8655 60.5828 31.9828 179.3205 122 E 4.6493 7.9105 120.4240 58.6474 29.6916 178.4765 123 Q 3.7283 8.2650 119.8918 59.3732 29.1110 178.3608 124 C 4.1226 8.2304 117.5804 62.8593 28.1892 175.9166 125 E 3.8984 8.1266 120.1523 59.1095 28.7876 179.2103 126 K 3.8015 7.7326 118.5902 59.7972 32.5071 178.4791 127 E 4.1272 8.1707 120.8442 59.8910 28.8058 180.1313 128 S 4.1934 7.8598 118.6719 63.0301 62.1355 179.6588 129 S 4.4787 7.9480 114.5333 60.4035 62.1066 174.5668 130 I 4.1077 7.0726 123.1462 62.2023 37.3989 176.8810 *132 N 4.7426 8.0703 115.9319 52.4222 38.4245 177.0058 133 C 5.0088 7.6774 114.9161 56.7127 33.1108 175.1614 134 C 4.8091 8.2973 118.1912 57.9518 28.2208 173.0050 135 L 4.6251 7.5145 119.8700 52.9376 43.4839 176.8350 136 Q 4.2458 8.4488 122.0651 55.9879 29.1569 175.9437 137 D 4.7978 8.7590 123.6842 54.2427 42.4619 175.6494 138 I 4.4446 8.7555 122.3177 60.2313 38.7285 174.8153 139 L 5.1176 8.5085 126.8386 52.5398 44.4158 176.0769 140 D 4.5459 8.6597 122.6197 54.0597 41.8690 176.6791 141 D 4.4880 8.9069 126.6402 57.5989 40.9828 178.1844 142 R 4.1553 8.3568 116.0316 57.3319 30.3746 176.5678 143 E 4.4355 7.9931 118.7142 55.1488 30.2819 174.4660 144 K 4.3206 8.4258 123.8312 56.8718 33.2824 176.9754 145 N 5.0106 7.4867 116.2132 51.2139 38.5642 171.9296 146 P 4.3942 0.0000 0.0000 62.5122 32.6934 176.6946 147 D 4.4745 8.3873 119.5074 55.4814 42.4541 176.3015 148 W 5.5650 7.8447 117.4982 54.9429 33.3920 173.9255 149 Y 5.1988 9.2926 120.5907 56.0197 41.4517 175.0070 150 I 4.4800 9.2147 125.4681 61.8434 37.4503 176.4999 151 I 4.2950 8.5744 121.7230 61.9483 38.7884 175.8625 152 S 4.8216 7.5869 114.8672 57.6140 65.6949 173.9934 153 I 5.0004 8.4639 125.5734 59.6671 40.7145 174.7060 154 K 4.5564 9.4030 127.0837 54.4905 34.7942 175.5170 155 A 4.9784 9.2156 129.2139 51.1261 19.2308 175.9221 156 Q 4.8048 8.8973 118.8628 55.7182 32.6880 175.6378 157 N 4.8792 8.9585 115.3990 53.0674 39.3429 174.9210 158 E 4.6445 7.8374 116.4297 54.6169 31.6682 175.5206 159 S 4.0891 7.9149 113.3180 57.7777 63.6233 173.3836 160 F 4.0220 6.4475 113.9594 55.4184 41.0269 173.4105 161 E 4.2549 8.6613 120.7111 56.0905 29.6269 177.1281 162 V 3.7693 8.0731 123.9371 61.1352 33.3497 176.1587 163 P 4.6027 0.0000 0.0000 61.7549 30.6693 176.2705 *165 E 3.1392 8.5627 123.6572 56.1063 30.8158 174.5826 166 P 4.0358 0.0000 0.0000 65.9206 31.3468 179.0422 167 I 3.7991 7.6849 111.0489 64.2424 37.2913 178.1805 168 T 3.8094 7.6219 117.0977 66.5387 68.0958 176.3390 169 I 3.7124 7.7182 119.6112 64.5154 37.3519 177.9891 170 L 4.1680 8.1128 119.4788 57.9921 41.4626 179.7248 171 R 3.9883 8.6228 118.7385 59.2462 29.9852 178.0381 172 N 4.5749 8.4192 116.0314 55.9465 38.2284 177.2050 173 T 4.4744 7.4775 118.0101 64.2083 69.3306 174.0379 174 L 4.6253 8.0137 121.0669 52.2029 42.2862 176.7529 175 I 3.9499 8.2616 125.2640 63.1458 38.2474 176.8999 176 E 4.5528 8.0592 114.6343 56.0861 29.5119 181.3447 177 E 4.6870 8.3950 116.4752 56.7039 30.6830 175.6093 178 G 3.7581 8.2291 108.8114 44.8348 0.0000 170.8756 179 G 3.7571 8.8375 119.9810 45.2305 0.0000 173.6722 180 S 4.3235 8.6424 121.3679 58.6311 63.6781 174.7537 181 G 3.7298 8.1933 108.4064 46.4017 0.0000 173.2247 182 V 4.2853 7.7728 118.8203 60.3658 32.9309 173.6080 183 P 4.4064 0.0000 0.0000 61.8312 31.9475 176.0124 184 L 3.9756 8.4167 123.1470 55.2379 42.5709 177.0687 185 K 4.4908 8.5576 125.4693 54.7035 33.5714 176.9296 186 R 4.0064 8.7035 125.0790 59.4996 30.0557 178.6190 187 E 4.0296 8.2791 116.5885 59.5546 29.4778 179.3034 188 K 4.0711 7.9521 118.8490 59.0200 32.2302 178.4470 189 Y 3.9953 8.3023 119.9641 60.9662 38.7987 178.4371 190 L 4.0654 8.5181 120.1161 57.5115 41.6987 179.1677 191 E 3.9741 8.3290 119.6611 59.2134 29.5383 178.7426 192 S 4.2215 8.0568 113.2098 61.4002 62.4555 176.2726 193 V 3.5838 7.9007 121.1312 65.9657 31.0433 177.3248 194 E 3.9305 8.0698 117.8070 59.3837 29.8071 178.4287 195 F 4.0144 8.0652 119.8077 61.1212 39.3609 176.7473 196 W 4.6435 8.2849 115.6564 57.7005 29.2194 177.9240 197 K 4.3760 8.0709 118.7937 58.3339 32.5258 176.9996 198 E 4.7277 7.9811 116.7704 56.0037 31.4237 174.6862 199 H 5.4107 8.1390 114.8094 54.7488 33.0743 172.3965 200 A 5.2374 9.2859 121.7851 50.3769 22.9982 175.9159 201 I 4.6891 8.7438 113.4393 60.9650 39.6460 174.6081 202 V 5.0075 8.7107 124.1205 61.1963 32.7944 175.6110 203 S 4.1217 9.2627 123.6612 59.4477 63.2521 173.9442 204 S 4.3051 8.7662 119.7071 58.5341 63.7309 168.4577 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 0 S 8.33 4.50 0.00 3.91 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 1 K 8.53 4.07 0.00 1.85 1.73 0.00 1.79 0.00 0.00 1.93 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.52 7.81 2 L 9.03 4.17 0.00 1.61 1.72 0.90 1.01 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 3 L 8.96 4.62 0.00 1.59 1.63 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.17 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 5 V 8.74 4.97 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 1.15 0.00 0.00 1.05 0.00 0.00 6 N 9.15 4.97 0.00 2.90 2.89 0.00 0.00 6.48 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 7 S 8.98 4.16 0.00 4.11 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 0.00 8 F 9.15 4.17 0.00 3.06 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 9 A 8.16 3.80 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 10 L 7.87 4.02 0.00 1.77 1.71 0.91 0.81 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 11 R 7.41 3.93 0.00 1.54 1.91 0.00 3.10 0.00 0.00 2.90 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 12 Q 7.75 3.36 0.00 1.67 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 1.16 2.01 0.00 13 F 7.75 4.75 0.00 3.10 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 14 V 7.39 4.31 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 0.96 0.00 0.00 1.01 0.00 0.00 15 E 8.63 2.82 0.00 1.64 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.47 0.00 16 G 8.47 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 0.00 0.00 0.00 17 Y 7.51 4.06 0.00 3.12 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 18 R 7.72 4.22 0.00 1.32 1.44 0.00 2.64 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.17 0.00 19 G 7.44 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 20 S 8.52 4.32 0.00 4.05 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 21 Y 8.42 4.54 0.00 3.01 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 22 I 7.59 3.85 0.56 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.11 0.63 0.00 0.00 23 P 0.00 4.01 0.00 1.93 1.63 0.00 3.58 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 24 R 8.44 3.85 0.00 2.03 2.15 0.00 3.42 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 *26 S 7.54 4.25 0.00 4.07 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 27 P 0.00 3.23 0.00 1.91 1.43 0.00 3.42 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.25 0.00 28 Y 7.88 3.89 0.00 3.09 3.01 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 29 E 8.23 3.91 0.00 2.27 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 2.39 2.47 0.00 30 F 8.63 4.25 0.00 3.48 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 31 L 8.26 3.89 0.00 1.90 1.60 0.97 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.93 3.62 0.00 1.59 1.88 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 33 N 7.80 4.03 0.00 2.10 1.42 0.00 0.00 6.73 7.76 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 34 V 7.38 3.51 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 43 P 0.00 4.58 0.00 2.34 2.27 0.00 3.87 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 2.09 2.27 0.00 44 T 8.27 3.98 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 1.23 0.00 0.00 45 L 8.55 4.06 0.00 1.58 1.54 0.58 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.78 4.49 2.27 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 0.88 0.00 0.00 1.18 0.00 0.00 47 D 8.87 4.56 0.00 2.69 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 48 G 8.58 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 0.00 0.00 0.00 0.00 49 Y 9.09 4.16 0.00 3.11 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 50 A 6.57 4.29 -0.17 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 0.00 0.00 51 D 8.35 4.33 0.00 2.79 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 52 F 7.13 4.79 0.00 3.12 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 53 C 7.66 5.36 0.00 2.40 2.27 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 54 K 8.91 5.10 0.00 0.88 1.29 0.00 1.42 0.00 0.00 1.46 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.44 0.21 7.81 55 H 9.32 5.18 0.00 2.79 2.42 0.00 5.55 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 56 I 8.29 4.74 1.81 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 1.13 0.72 1.01 0.00 0.00 57 F 8.78 5.22 0.00 2.83 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 58 I 8.85 4.62 1.77 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 0.45 0.29 0.62 0.00 0.00 59 P 0.00 4.55 0.00 1.94 2.05 0.00 3.18 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 2.18 2.26 0.00 60 N 8.73 4.31 0.00 2.65 2.75 0.00 0.00 7.18 6.99 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 61 F 8.25 4.63 0.00 3.12 3.12 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 62 T 7.20 4.48 4.13 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 0.80 0.00 0.00 63 E 8.43 4.14 0.00 1.91 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 2.28 2.24 0.00 64 A 7.66 3.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.52 4.81 0.00 1.67 1.79 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.60 7.81 66 Q 8.35 4.21 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 67 S 8.82 4.87 0.00 4.12 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 77 K 7.71 4.02 0.00 1.63 1.66 0.00 1.00 0.00 0.00 1.38 0.00 0.00 2.84 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.46 0.21 7.81 78 Y 7.47 4.73 0.00 3.46 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 79 I 7.43 3.57 1.80 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.48 0.63 0.00 0.00 80 K 8.56 4.25 0.00 1.13 0.74 0.00 1.50 0.00 0.00 1.93 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.67 1.04 7.81 81 T 8.21 4.84 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 82 G 8.13 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 83 Y 8.54 4.83 0.00 2.96 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 84 I 8.65 4.74 1.68 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 1.37 0.65 0.65 0.00 0.00 85 S 8.55 4.96 0.00 4.09 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 86 R 8.73 4.02 0.00 2.16 2.14 0.00 3.45 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 87 R 7.48 4.62 0.00 2.12 2.03 0.00 3.30 0.00 0.00 3.60 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 88 D 8.71 4.42 0.00 2.70 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 89 E 8.22 4.14 0.00 2.00 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 2.33 2.35 0.00 90 E 8.04 4.70 0.00 2.11 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 2.46 2.28 0.00 91 I 8.33 3.93 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 1.43 0.56 0.92 0.00 0.00 92 P 0.00 4.77 0.00 2.25 2.15 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.84 0.89 0.00 0.00 110 K 8.63 4.36 0.00 1.75 1.76 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.43 7.81 111 S 8.59 4.58 0.00 4.12 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 0.00 112 K 9.22 3.93 0.00 1.35 0.82 0.00 1.49 0.00 0.00 1.54 0.00 0.00 2.13 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 1.39 7.81 113 Y 8.44 5.47 0.00 3.01 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 0.00 114 L 9.24 5.16 0.00 1.50 1.56 0.68 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 115 D 9.44 4.67 0.00 2.89 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 0.00 116 I 8.39 4.76 1.92 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 1.42 0.73 0.98 0.00 0.00 117 I 8.71 4.64 1.98 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 1.05 0.74 1.00 0.00 0.00 118 L 8.93 5.45 0.00 1.44 1.77 0.64 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 9.08 6.02 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 S 9.39 4.26 0.00 3.65 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 0.00 121 K 8.96 4.07 0.00 2.35 2.45 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.37 1.52 7.81 122 E 7.91 4.65 0.00 2.01 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 2.34 2.22 0.00 123 Q 8.26 3.73 0.00 1.84 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 1.39 2.35 0.00 124 C 8.23 4.12 0.00 2.98 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 0.00 125 E 8.13 3.90 0.00 2.14 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 2.29 2.37 0.00 126 K 7.73 3.80 0.00 1.82 1.90 0.00 1.69 0.00 0.00 1.50 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.41 7.81 127 E 8.17 4.13 0.00 2.03 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 0.00 2.25 2.37 0.00 128 S 7.86 4.19 0.00 3.78 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 0.00 129 S 7.95 4.48 0.00 3.89 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.07 4.11 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 1.16 0.72 0.95 0.00 0.00 *132 N 8.07 4.74 0.00 2.77 2.70 0.00 0.00 6.82 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 0.00 133 C 7.68 5.01 0.00 3.03 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 0.00 134 C 8.30 4.81 0.00 2.92 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 0.00 135 L 7.51 4.63 0.00 1.63 1.59 0.94 1.04 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 0.00 136 Q 8.45 4.25 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 7.05 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 137 D 8.76 4.80 0.00 2.67 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 0.00 138 I 8.76 4.44 1.96 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 1.27 1.02 1.12 0.00 0.00 139 L 8.51 5.12 0.00 1.59 1.62 1.05 1.20 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 0.00 140 D 8.66 4.55 0.00 2.62 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 0.00 141 D 8.91 4.49 0.00 2.81 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 0.00 142 R 8.36 4.16 0.00 1.80 1.98 0.00 3.14 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 143 E 7.99 4.44 0.00 1.84 1.79 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 2.42 2.28 0.00 144 K 8.43 4.32 0.00 1.80 1.86 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.38 7.81 145 N 7.49 5.01 0.00 2.57 2.67 0.00 0.00 7.17 7.57 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 0.00 146 P 0.00 4.39 0.00 1.46 1.88 0.00 3.60 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.92 0.00 147 D 8.39 4.47 0.00 2.30 2.16 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 0.00 148 W 7.84 5.56 0.00 3.26 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 0.00 149 Y 9.29 5.20 0.00 3.11 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 0.00 150 I 9.21 4.48 2.04 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.93 1.04 0.00 0.00 151 I 8.57 4.30 1.64 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 0.37 0.52 0.67 0.00 0.00 152 S 7.59 4.82 0.00 3.97 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 0.00 153 I 8.46 5.00 1.62 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 1.21 0.73 0.80 0.00 0.00 154 K 9.40 4.56 0.00 1.65 1.77 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.57 7.81 155 A 9.22 4.98 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 0.00 156 Q 8.90 4.80 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.65 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 157 N 8.96 4.88 0.00 2.75 2.93 0.00 0.00 6.82 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 0.00 158 E 7.84 4.64 0.00 1.16 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 1.58 1.47 0.00 159 S 7.91 4.09 0.00 3.44 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 0.00 160 F 6.45 4.02 0.00 2.86 2.71 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 0.00 161 E 8.66 4.25 0.00 2.04 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 2.35 2.42 0.00 162 V 8.07 3.77 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 -0.18 0.00 0.00 0.70 0.00 0.00 163 P 0.00 4.60 0.00 1.99 1.77 0.00 2.20 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.98 0.00 *165 E 8.56 3.14 0.00 1.54 1.48 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 1.47 1.47 0.00 166 P 0.00 4.04 0.00 2.05 1.62 0.00 3.31 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 167 I 7.68 3.80 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.59 0.92 0.00 0.00 168 T 7.62 3.81 4.24 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 1.21 0.00 0.00 169 I 7.72 3.71 2.25 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 1.59 0.61 1.12 0.00 0.00 170 L 8.11 4.17 0.00 1.97 1.76 1.05 0.56 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 0.00 171 R 8.62 3.99 0.00 1.86 2.04 0.00 3.13 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 172 N 8.42 4.57 0.00 3.21 2.99 0.00 0.00 6.89 6.59 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 0.00 173 T 7.48 4.47 4.55 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 1.22 0.00 0.00 174 L 8.01 4.63 0.00 1.64 1.57 0.93 0.62 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 0.00 175 I 8.26 3.95 1.86 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 1.23 1.82 0.89 0.00 0.00 176 E 8.06 4.55 0.00 2.02 1.80 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 2.18 1.89 0.00 177 E 8.40 4.69 0.00 2.12 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 0.00 2.23 2.37 0.00 178 G 8.23 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 G 8.84 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 S 8.64 4.32 0.00 4.05 4.30 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 0.00 181 G 8.19 3.73 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 0.00 0.00 0.00 182 V 7.77 4.29 2.32 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 1.13 0.00 0.00 1.29 0.00 0.00 183 P 0.00 4.41 0.00 2.12 1.99 0.00 3.80 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 2.10 0.00 184 L 8.42 3.98 0.00 1.59 1.56 0.79 0.43 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 0.00 185 K 8.56 4.49 0.00 1.90 2.15 0.00 1.83 0.00 0.00 2.01 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.55 7.81 186 R 8.70 4.01 0.00 1.88 2.05 0.00 3.12 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 187 E 8.28 4.03 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 188 K 7.95 4.07 0.00 2.04 1.96 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.59 1.52 7.81 189 Y 8.30 4.00 0.00 3.04 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 0.00 190 L 8.52 4.07 0.00 1.87 1.78 1.07 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 191 E 8.33 3.97 0.00 2.09 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 2.34 2.35 0.00 192 S 8.06 4.22 0.00 4.02 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 V 7.90 3.58 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 0.97 0.00 0.00 0.62 0.00 0.00 194 E 8.07 3.93 0.00 2.17 2.16 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 2.36 2.40 0.00 195 F 8.07 4.01 0.00 3.04 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 0.00 196 W 8.28 4.64 0.00 3.46 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 K 8.07 4.38 0.00 1.96 2.24 0.00 1.56 0.00 0.00 1.94 0.00 0.00 3.18 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.44 7.81 198 E 7.98 4.73 0.00 1.87 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 2.13 1.90 0.00 199 H 8.14 5.41 0.00 2.25 2.88 0.00 5.86 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 A 9.29 5.24 1.04 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 0.00 0.00 201 I 8.74 4.69 1.99 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.17 1.14 0.00 0.00 202 V 8.71 5.01 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 0.89 0.00 0.00 1.11 0.00 0.00 203 S 9.26 4.12 0.00 4.08 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 0.00 204 S 8.77 4.31 0.00 3.88 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 * Residues marked with a * may have inaccurate shift predictions.