NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5035 8.2893 118.7975 54.0735 33.7887 175.2889 2 L 4.1188 8.2959 117.0858 55.1903 42.4008 176.5118 3 K 4.5138 8.6254 126.1616 54.4710 34.7530 173.6964 4 S 5.1375 8.3122 115.1877 56.5256 65.5886 173.6026 5 V 3.8753 8.5676 126.6717 62.6018 32.1029 175.9347 6 G 3.9574 8.6987 113.1652 45.7135 0.0000 172.7951 7 V 4.6270 8.4896 120.2048 61.0313 34.4456 175.1223 8 I 4.4051 8.8241 129.0441 60.2543 37.7989 174.5914 9 L 4.7182 9.0080 131.5524 54.0458 43.0475 175.2884 10 V 4.7483 8.9109 128.1695 61.2659 33.5282 174.3407 11 L 5.3299 9.0907 128.1632 53.1082 44.8482 175.7465 12 S 5.1614 8.8668 118.3633 55.6786 66.8061 173.0575 13 S 4.5321 8.2488 116.5231 56.1909 65.3164 172.0397 14 P 4.5435 0.0000 0.0000 65.3871 32.0077 177.2714 15 S 4.0797 8.1373 113.1713 59.1367 62.6424 174.8310 16 G 3.7584 8.0358 110.8127 46.7814 0.0000 173.3276 *21 T 4.3759 8.5798 117.8208 61.5094 70.9783 174.8474 22 V 3.6703 7.7415 122.2257 65.5613 31.7114 179.7250 23 A 4.1939 8.1637 123.9154 55.7947 17.9633 179.5999 24 N 4.2440 8.3521 119.5399 58.5436 37.3250 179.4955 25 K 4.2178 8.0123 127.0890 60.2420 31.8115 181.3392 26 L 4.3460 7.7993 122.7380 59.3590 40.9340 181.0912 27 L 4.4035 7.8598 121.0734 57.2214 42.4304 178.6049 28 E 4.2813 7.5501 119.6511 57.4012 28.9468 180.6560 *33 N 4.8276 7.8463 114.2874 53.9243 40.4551 173.9510 34 I 5.1851 7.8007 115.9947 59.1697 41.5923 174.5268 35 V 4.5578 8.6761 123.5654 59.9650 35.0308 175.4926 36 K 4.5128 8.4303 126.9513 54.6781 32.4259 177.0349 37 S 4.3660 8.6435 121.0966 57.1226 63.2867 173.2845 38 V 4.1630 8.2389 126.2555 61.3458 32.8061 175.4614 39 S 4.8885 8.4454 123.5522 58.1128 64.9588 173.1976 40 V 4.8132 8.9294 122.4708 62.7444 33.0746 174.8128 41 T 5.0181 8.9305 120.8570 60.8061 70.7894 174.0434 42 T 5.3432 8.3748 115.6729 61.6291 69.5966 175.3092 43 R 4.2232 7.4169 118.9280 55.6284 30.4048 176.6736 44 A 4.0158 8.4472 123.0006 51.7244 19.1099 177.5839 45 A 3.6617 7.7285 123.9477 52.1078 19.0510 177.9428 46 R 4.4147 9.4040 124.0733 54.6256 32.0839 176.8324 47 K 4.1629 8.2646 120.9291 56.3026 31.8868 176.2347 48 G 4.1135 8.9606 112.4847 44.5189 0.0000 173.6755 49 E 4.5559 7.8429 118.7274 55.9403 30.4250 176.2885 50 K 4.6616 9.2587 121.0056 54.0621 35.6218 175.7027 51 E 4.4128 9.0199 123.5801 58.3888 29.7860 177.9115 52 G 3.9102 9.2020 117.0267 45.9332 0.0000 174.2531 53 K 4.3141 7.7634 117.8990 56.2461 34.0921 182.7314 54 D 4.3658 8.1925 118.2073 56.4141 41.2956 176.1477 55 Y 4.4799 6.9220 113.7960 56.6255 43.1659 173.4230 56 Y 5.0306 8.5867 119.0553 56.7005 39.1704 175.0523 57 F 5.1737 9.6141 125.0547 56.5643 40.1995 175.8442 58 V 4.7973 8.8784 116.5569 59.7785 36.8480 174.5856 59 D 4.9660 8.4363 121.2274 51.9724 41.4914 177.4475 60 R 4.0036 8.5364 118.0715 59.4587 29.8509 177.6069 61 E 3.9423 8.2446 118.6551 59.5245 29.5976 178.3741 62 E 3.9183 8.6418 119.1954 58.9776 29.6819 178.3634 63 F 3.8610 8.5023 120.9197 61.4400 39.4546 177.1346 64 L 3.9414 8.3470 118.7592 57.6841 41.4865 179.5388 65 R 3.8238 8.2145 118.8168 59.3429 30.1181 178.5962 66 L 4.0608 7.9068 120.2723 57.4164 41.6858 179.1175 67 C 3.8874 7.7374 116.8207 62.9430 27.8500 176.5388 68 S 4.1981 7.9668 114.6242 60.4971 62.3207 175.1302 69 N 4.7720 7.9643 119.0219 52.2823 37.1612 176.3522 70 G 3.9370 7.7946 108.0341 45.9364 0.0000 174.3153 71 E 4.2736 8.1431 118.4693 56.9797 30.7072 175.9384 72 I 4.7586 7.4515 120.5479 59.5430 38.9864 175.2956 73 I 4.1586 8.8828 127.6114 62.2134 38.4944 175.1562 74 E 4.8924 8.0259 121.6765 55.2032 33.0744 173.3358 75 H 5.4045 8.6158 119.0041 54.9717 31.7402 172.0178 76 A 4.7118 9.2926 120.3223 50.8718 23.2628 174.5283 77 E 4.8609 8.6897 120.4569 54.7780 31.1758 175.5845 78 V 3.9761 8.8820 126.8730 61.8024 33.8667 175.3886 79 F 4.0939 9.2419 128.5856 58.7215 36.2625 176.5618 80 G 3.9343 8.4844 105.3516 45.3400 0.0000 172.3493 81 N 4.8702 7.8199 115.5627 51.0981 43.4115 173.6700 82 F 5.0284 8.2605 119.8649 57.4354 40.5687 174.5878 83 Y 5.4871 9.1809 119.0849 56.8000 42.5198 174.4574 84 G 4.6764 9.6821 108.6739 45.4161 0.0000 171.7728 85 V 4.7060 8.7033 122.4925 60.4637 33.0803 173.8824 86 P 4.7987 0.0000 0.0000 62.4182 32.2759 176.6575 87 R 3.8993 9.0744 125.8867 59.5101 30.2528 176.5692 88 K 3.7948 7.9170 118.8216 56.2799 31.5241 178.9305 89 N 4.5872 9.0432 121.1219 52.8298 36.6539 176.3609 90 L 4.0040 7.8342 122.6383 58.9498 42.1958 179.2680 91 E 4.0631 8.2684 120.0910 61.5447 29.6502 181.0063 92 D 4.6230 8.2190 121.6834 58.9685 39.6386 181.0079 93 N 4.5333 8.6972 118.0596 55.8629 38.4371 177.6461 94 V 3.5358 7.7354 119.7167 66.3612 31.3708 177.9175 95 D 4.3361 7.8580 116.9231 56.9182 40.7112 178.1166 96 K 4.3124 7.5506 116.7760 56.4068 32.3737 177.7817 97 G 3.9686 8.0376 107.1641 44.3268 0.0000 172.7856 98 V 4.2652 7.8963 120.5562 61.2673 33.2118 175.6780 99 S 4.7251 8.7632 123.9174 58.4486 64.8355 173.1748 100 T 4.9948 8.7102 118.5174 61.7215 72.1652 172.7675 101 L 4.8279 8.8838 128.7679 53.9419 43.8131 174.9657 102 L 4.8801 8.9907 126.9876 52.9416 44.3941 175.6903 103 V 4.8134 8.5054 124.8437 61.2129 31.9246 174.2620 104 I 4.9010 8.4930 121.0452 58.1829 41.9555 174.7520 105 D 4.7615 8.4145 123.3112 52.2019 42.1759 176.9596 106 W 5.0124 8.5490 117.3918 59.4163 27.9513 178.1056 107 Q 3.0019 6.6306 118.4310 58.3285 28.0457 178.9768 108 G 3.6579 8.2728 106.3947 47.0472 0.0000 175.6150 109 A 4.2161 8.3897 123.4979 55.0164 18.4414 179.7268 110 F 4.1585 9.0222 116.7525 60.5516 38.9217 177.7790 111 K 4.0392 8.1546 119.1821 59.6097 31.9279 178.7955 112 F 3.9461 8.2844 117.9462 60.9335 38.6500 177.6218 113 M 4.0879 8.1632 117.1259 58.3059 31.7343 178.5074 114 E 4.0893 8.1358 118.3315 59.3665 29.8335 178.6028 115 M 4.3378 8.1118 115.3158 56.6708 32.4970 176.1954 116 M 4.9129 8.4470 120.6620 53.9078 33.5598 177.0015 117 R 3.9196 8.6692 123.4322 60.3822 30.3710 178.5992 118 E 4.0329 8.1241 111.3812 58.2830 30.0471 178.4573 119 H 4.9943 8.3490 112.5783 56.1229 30.5621 174.4159 120 V 4.8001 7.5220 118.9995 61.3340 33.1806 175.1851 121 V 4.8253 8.7803 127.0345 61.1357 34.5334 174.0477 122 S 5.5281 9.6942 122.9818 56.7361 65.9677 173.1513 123 I 5.4070 9.1520 123.3288 59.7475 41.0988 173.7790 124 F 4.5745 9.3273 129.8934 56.5826 41.1395 174.4330 125 I 4.6483 8.0064 128.1280 60.2246 37.8410 174.7954 126 M 4.7585 9.2148 129.0310 53.4851 33.5867 174.2616 127 P 4.7492 0.0000 0.0000 62.0044 32.3300 174.8338 128 P 4.3902 0.0000 0.0000 65.2435 31.7509 176.8956 129 S 4.5707 7.3923 111.3038 56.4931 66.5081 175.5785 130 M 4.0233 8.3773 121.2802 58.6915 31.9847 177.6732 131 E 3.9670 8.1299 119.0503 59.3897 29.6528 178.5454 132 E 3.9864 8.0106 117.6745 59.1162 29.8007 178.6444 133 L 4.0880 8.0897 120.5219 58.2013 41.9348 178.9677 134 R 3.8846 8.2036 117.7360 59.4929 30.1462 178.1185 135 R 4.0593 7.9542 116.2738 58.1537 30.1273 177.3589 136 R 4.3985 7.8022 118.1516 57.8638 31.4307 177.7593 *151 R 4.3638 7.8688 118.6844 56.6373 31.7369 182.6878 152 L 4.4052 7.8418 123.7275 59.0586 41.0417 181.6000 153 K 4.4071 8.1515 122.4060 60.1762 31.7029 183.9039 154 G 4.1848 8.2740 106.2273 47.7428 0.0000 175.5980 155 A 4.4438 8.1242 123.2368 54.4700 18.5196 179.5050 156 A 3.9686 8.5163 119.7941 55.3057 18.1979 179.6885 157 F 4.1200 8.2343 118.1652 61.3613 39.4101 176.8049 158 E 3.9736 8.4660 118.2118 59.7420 29.3878 179.4325 159 I 3.4611 8.0829 119.9584 64.2533 36.9198 178.3450 160 S 4.0414 7.4619 113.4720 60.5705 63.1059 175.1096 161 H 4.5238 7.5392 119.3299 56.0572 28.6465 176.1980 162 C 3.5054 7.6239 122.8255 62.4108 30.9679 175.3799 163 E 3.9603 8.0524 118.2757 58.8589 29.2235 177.5688 164 A 4.1648 7.9253 119.8030 53.4086 19.1076 177.1945 165 Y 4.4507 8.1861 114.4903 57.2063 39.0933 176.3592 166 D 4.3547 9.0446 123.3129 57.2016 41.3773 176.4344 167 Y 5.1050 8.7106 114.6824 56.0247 42.3541 175.1719 168 V 5.1016 8.5179 119.8169 60.2436 34.7795 174.7877 169 I 4.6747 8.7760 123.7972 59.4707 41.0767 174.5383 170 V 4.2311 8.5072 127.0256 62.4616 32.0200 176.0872 171 N 4.8290 9.1205 129.4909 52.0065 36.4896 174.3083 172 E 4.0526 8.5465 123.3810 58.0873 30.8177 176.7364 173 D 4.9589 7.7214 117.6106 51.7925 44.3085 176.4430 174 I 3.7664 8.4946 125.4860 64.7747 37.2157 177.9511 175 E 3.8841 8.1073 119.2047 59.2424 29.5212 178.2588 176 E 4.0786 8.1097 118.8459 59.5408 29.6560 178.6570 177 T 3.8164 8.0105 115.5150 66.6229 68.4590 176.2722 178 A 3.9719 8.1800 122.7390 55.3393 18.2900 179.3592 179 D 4.2796 8.1320 117.1998 57.7062 40.8934 179.3952 180 R 3.8977 8.1626 118.5345 59.1344 29.9761 179.1463 181 I 3.5860 8.0916 120.1034 64.3613 37.0832 178.2781 182 S 4.0293 8.2714 114.1848 61.5684 62.1773 175.9546 183 N 4.2970 8.3564 119.2347 56.4396 38.1889 177.5033 184 I 3.5289 7.7206 121.2194 63.9881 37.0986 178.2498 185 L 3.8681 7.9994 121.3370 58.2609 41.7402 179.2469 186 R 4.0502 7.8886 116.4832 59.1380 30.2710 178.5820 187 A 4.1500 8.0986 120.5250 55.3958 18.5136 179.6572 188 E 4.0517 8.4484 117.0270 59.4544 29.2480 179.5324 189 Q 4.1338 7.9549 117.2728 58.3100 28.8028 177.3994 190 M 4.3755 7.5984 117.6265 54.1122 33.0530 176.5359 191 K 4.1406 7.4586 120.6696 56.5501 33.1419 178.1466 192 T 3.9018 8.7231 120.2968 66.8721 68.5469 176.2683 193 C 4.2833 8.0635 114.1561 60.3422 29.9256 174.2172 194 R 4.4051 7.9016 118.5771 56.2270 30.2876 176.1778 195 Q 4.5819 7.8137 117.9095 55.3237 29.5321 175.3396 196 V 4.1581 8.4692 121.7871 62.3928 32.8156 175.9156 197 G 3.8915 8.8280 115.0460 46.9764 0.0000 175.3827 198 L 3.9236 8.1031 122.8642 57.8228 42.0859 178.2612 199 R 3.8906 7.9421 118.1091 59.5767 30.1154 178.1039 200 E 3.9686 8.1757 117.8888 59.2527 29.4382 178.9444 201 L 3.9803 8.1623 120.5665 58.2028 42.1747 179.0708 202 L 4.2670 8.3222 119.2423 58.0240 41.3508 179.4290 203 E 4.0432 8.3355 117.9032 58.9358 29.3941 179.0541 204 S 4.3527 7.9550 113.5445 60.8093 63.7445 176.0532 205 R 4.0847 8.2235 120.1269 56.0496 31.4662 176.6031 206 F 4.8975 8.0293 116.1973 55.6134 39.5542 173.5669 207 P 4.4549 0.0000 0.0000 62.6280 32.3827 176.5373 208 I 3.9991 8.3212 124.4437 61.6110 37.8813 176.3519 209 E 4.4424 9.5462 123.1805 55.2536 31.4904 174.2063 210 D 4.6754 8.7536 115.0667 54.0180 40.3433 176.3993 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 1 M 8.29 4.50 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 L 8.30 4.12 0.00 1.83 1.73 0.96 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.63 4.51 0.00 1.47 1.72 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.70 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.41 1.00 7.81 4 S 8.31 5.14 0.00 3.86 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 5 V 8.57 3.88 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 0.84 0.00 0.00 0.96 0.00 0.00 6 G 8.70 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.49 4.63 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.96 0.00 0.00 8 I 8.82 4.41 1.86 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 1.09 0.46 0.63 0.00 0.00 9 L 9.01 4.72 0.00 1.70 1.63 0.97 0.69 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 10 V 8.91 4.75 2.13 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 1.09 0.00 0.00 0.78 0.00 0.00 11 L 9.09 5.33 0.00 1.55 1.48 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.87 5.16 0.00 3.55 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.25 4.53 0.00 3.66 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.54 0.00 2.29 2.30 0.00 3.89 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 15 S 8.14 4.08 0.00 3.99 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 16 G 8.04 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 *21 T 8.58 4.38 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 22 V 7.74 3.67 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 0.77 0.00 0.00 0.93 0.00 0.00 23 A 8.16 4.19 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 24 N 8.35 4.24 0.00 2.74 2.86 0.00 0.00 6.94 7.02 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 25 K 8.01 4.22 0.00 1.86 1.77 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.34 7.81 26 L 7.80 4.35 0.00 1.73 1.62 0.92 1.21 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 27 L 7.86 4.40 0.00 1.74 1.73 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.55 4.28 0.00 2.04 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 2.25 2.18 0.00 *33 N 7.85 4.83 0.00 2.79 2.83 0.00 0.00 6.42 7.98 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 34 I 7.80 5.19 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.08 0.89 0.00 0.00 35 V 8.68 4.56 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 0.65 0.00 0.00 0.95 0.00 0.00 36 K 8.43 4.51 0.00 1.54 1.60 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.34 1.00 7.81 37 S 8.64 4.37 0.00 3.87 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 38 V 8.24 4.16 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.80 0.00 0.00 39 S 8.45 4.89 0.00 4.16 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 40 V 8.93 4.81 2.17 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 1.19 0.00 0.00 1.01 0.00 0.00 41 T 8.93 5.02 3.47 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 0.65 0.00 0.00 42 T 8.37 5.34 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 43 R 7.42 4.22 0.00 1.85 1.93 0.00 3.13 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.63 0.00 44 A 8.45 4.02 1.20 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 45 A 7.73 3.66 0.36 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 0.00 0.00 0.00 46 R 9.40 4.41 0.00 1.99 1.89 0.00 3.23 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 47 K 8.26 4.16 0.00 1.77 1.61 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.01 7.81 48 G 8.96 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 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0.00 3.09 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 58 V 8.88 4.80 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 0.82 0.00 0.00 1.22 0.00 0.00 59 D 8.44 4.97 0.00 2.93 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 60 R 8.54 4.00 0.00 1.97 2.04 0.00 3.24 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.00 0.00 61 E 8.24 3.94 0.00 2.15 2.13 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 2.40 2.46 0.00 62 E 8.64 3.92 0.00 2.24 2.17 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 2.33 2.36 0.00 63 F 8.50 3.86 0.00 3.26 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.35 3.94 0.00 1.85 1.68 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.21 3.82 0.00 1.95 2.02 0.00 3.07 0.00 0.00 3.15 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0.00 1.91 1.45 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 0.00 0.00 0.00 0.00 83 Y 9.18 5.49 0.00 2.95 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 84 G 9.68 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.70 4.71 2.36 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 1.16 0.00 0.00 1.21 0.00 0.00 86 P 0.00 4.80 0.00 2.13 1.95 0.00 3.87 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.14 0.00 87 R 9.07 3.90 0.00 1.82 1.91 0.00 3.16 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 88 K 7.92 3.79 0.00 1.81 1.67 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.07 7.81 89 N 9.04 4.59 0.00 2.98 3.04 0.00 0.00 6.72 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.83 4.00 0.00 1.84 1.79 0.90 0.94 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.12 0.98 0.00 0.00 124 F 9.33 4.57 0.00 2.36 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 0.00 125 I 8.01 4.65 1.66 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 1.05 0.58 0.86 0.00 0.00 126 M 9.21 4.76 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 127 P 0.00 4.75 0.00 2.41 2.06 0.00 3.94 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 128 P 0.00 4.39 0.00 2.20 2.35 0.00 3.72 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 2.33 2.21 0.00 129 S 7.39 4.57 0.00 4.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 M 8.38 4.02 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.67 0.00 131 E 8.13 3.97 0.00 2.04 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 2.38 2.35 0.00 132 E 8.01 3.99 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 133 L 8.09 4.09 0.00 1.86 1.88 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 134 R 8.20 3.88 0.00 1.80 2.12 0.00 3.32 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 135 R 7.95 4.06 0.00 2.00 2.04 0.00 3.27 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 136 R 7.80 4.40 0.00 1.93 1.93 0.00 3.33 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 *151 R 7.87 4.36 0.00 1.76 1.97 0.00 3.24 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 152 L 7.84 4.41 0.00 1.65 1.70 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 153 K 8.15 4.41 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.08 7.81 154 G 8.27 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 0.00 155 A 8.12 4.44 1.46 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 0.00 0.00 156 A 8.52 3.97 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 F 8.23 4.12 0.00 3.02 3.36 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 0.00 158 E 8.47 3.97 0.00 2.48 2.30 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 2.82 2.88 0.00 159 I 8.08 3.46 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.98 0.79 0.00 0.00 160 S 7.46 4.04 0.00 3.80 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 0.00 161 H 7.54 4.52 0.00 3.22 3.41 0.00 5.83 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 C 7.62 3.51 0.00 1.99 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 E 8.05 3.96 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 164 A 7.93 4.16 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 0.00 165 Y 8.19 4.45 0.00 3.35 3.19 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 0.00 166 D 9.04 4.35 0.00 2.91 2.48 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 0.00 167 Y 8.71 5.11 0.00 3.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 V 8.52 5.10 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 0.79 0.00 0.00 1.06 0.00 0.00 169 I 8.78 4.67 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.71 0.92 0.00 0.00 170 V 8.51 4.23 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 0.76 0.00 0.00 0.96 0.00 0.00 171 N 9.12 4.83 0.00 2.70 2.82 0.00 0.00 7.10 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 E 8.55 4.05 0.00 1.95 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 2.39 0.00 173 D 7.72 4.96 0.00 2.75 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.49 3.77 1.86 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 1.51 0.50 0.90 0.00 0.00 175 E 8.11 3.88 0.00 2.07 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 2.37 2.42 0.00 176 E 8.11 4.08 0.00 2.11 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 0.00 2.38 2.46 0.00 177 T 8.01 3.82 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 178 A 8.18 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 D 8.13 4.28 0.00 2.88 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 0.00 180 R 8.16 3.90 0.00 1.99 1.95 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 181 I 8.09 3.59 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.69 0.86 0.00 0.00 182 S 8.27 4.03 0.00 3.94 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 0.00 183 N 8.36 4.30 0.00 2.89 2.82 0.00 0.00 7.07 8.25 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 0.00 184 I 7.72 3.53 1.69 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.46 0.01 0.00 0.00 185 L 8.00 3.87 0.00 1.69 1.77 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 186 R 7.89 4.05 0.00 1.93 1.97 0.00 3.21 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 187 A 8.10 4.15 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 E 8.45 4.05 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 189 Q 7.95 4.13 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 190 M 7.60 4.38 0.00 2.01 2.24 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 191 K 7.46 4.14 0.00 1.95 1.75 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.80 7.81 192 T 8.72 3.90 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 0.00 193 C 8.06 4.28 0.00 3.08 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 0.00 194 R 7.90 4.41 0.00 1.95 2.01 0.00 3.29 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 195 Q 7.81 4.58 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.69 2.45 0.00 196 V 8.47 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 0.77 0.00 0.00 0.95 0.00 0.00 197 G 8.83 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 0.00 198 L 8.10 3.92 0.00 1.78 1.69 0.94 0.83 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 0.00 199 R 7.94 3.89 0.00 1.93 1.92 0.00 3.25 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 200 E 8.18 3.97 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 201 L 8.16 3.98 0.00 1.86 1.91 0.96 0.96 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 0.00 202 L 8.32 4.27 0.00 1.92 1.79 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 203 E 8.34 4.04 0.00 2.08 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 2.37 2.44 0.00 204 S 7.95 4.35 0.00 4.01 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 0.00 205 R 8.22 4.08 0.00 1.66 1.40 0.00 3.13 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 206 F 8.03 4.90 0.00 3.01 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 0.00 207 P 0.00 4.45 0.00 2.18 2.23 0.00 3.77 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 1.98 1.95 0.00 208 I 8.32 4.00 1.89 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 1.30 0.58 0.93 0.00 0.00 209 E 9.55 4.44 0.00 1.98 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 2.17 1.86 0.00 210 D 8.75 4.68 0.00 2.78 2.69 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 * Residues marked with a * may have inaccurate shift predictions.