NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3466 8.1727 120.1468 56.2136 34.1196 177.6650 3 F 4.1972 8.4381 123.8954 60.2521 39.3182 174.3352 4 L 3.7565 8.2513 119.9075 58.2436 41.9697 178.0639 5 E 3.8551 8.0189 116.9930 59.0982 30.0562 177.7973 6 L 4.0476 7.8158 120.3184 58.4154 42.1611 178.6861 7 N 4.0913 7.8296 116.1139 56.3100 38.2446 177.5915 8 K 4.0172 7.8519 118.4592 58.2345 32.1617 178.3863 9 K 4.3464 7.3889 116.7610 55.6732 33.3213 176.2966 10 R 4.1184 7.1241 121.7345 56.2451 30.5883 175.0675 11 H 4.8305 8.3179 120.6627 53.5792 32.7647 173.2691 12 A 4.1191 8.5176 124.2798 52.3236 17.4854 176.7934 13 T 4.3594 8.6223 117.4077 61.3788 68.5259 174.7906 14 K 4.3145 8.2283 125.8412 56.1265 34.9393 175.8689 15 H 4.7179 7.4070 115.5616 53.6336 31.8501 172.3390 16 F 5.2956 8.5433 122.0847 55.6067 41.7773 175.3867 17 T 4.5690 8.5198 113.7528 60.7914 69.8039 174.1756 18 D 4.6456 8.4243 119.2398 54.2611 41.2433 177.1136 19 K 3.8952 7.6286 121.3735 56.3253 32.5392 176.5342 20 L 4.1283 8.3933 125.8492 54.7919 42.2400 176.5425 21 V 4.2864 8.0772 121.5403 60.9982 32.4079 174.9659 22 D 4.5098 8.6375 127.8605 53.2857 41.6752 174.9532 23 P 4.1993 0.0000 0.0000 65.4901 31.2295 178.4662 24 K 3.9414 8.1603 118.2452 59.5202 32.0018 178.6288 25 D 4.3238 8.3070 119.5012 57.1596 40.7347 178.8092 26 V 3.4787 7.6683 118.2670 66.0280 31.5808 177.7882 27 R 3.8091 7.9934 118.3172 59.8266 29.9080 178.6186 28 T 3.8105 8.0456 115.2421 66.5567 68.3497 176.6394 29 A 3.9686 8.1784 122.8794 55.0385 18.3303 179.8548 30 I 3.2368 7.6095 118.5098 64.1573 36.8975 178.0451 31 E 3.8344 7.8727 119.1450 59.4308 29.7108 178.7616 32 I 3.7918 7.7831 119.4068 64.1549 37.1174 177.9902 33 A 3.9071 8.0163 122.1759 55.4691 17.9916 179.2223 34 T 4.0608 7.4965 104.3015 62.7425 69.1520 176.1533 35 L 4.1133 7.7492 122.0553 56.1375 42.0102 177.1596 36 A 4.0572 7.4855 122.0102 51.8759 18.7525 175.6616 37 P 4.7668 0.0000 0.0000 62.6705 32.6290 175.5604 38 S 4.8030 8.2821 111.6643 56.1347 66.1294 173.2341 39 A 4.1375 8.7259 124.6085 54.3986 18.3761 177.9309 40 H 4.2139 9.4146 117.4398 55.7004 26.6760 174.0782 41 N 4.3371 8.3656 115.9247 54.6195 37.6661 175.3119 42 S 4.3460 8.8849 111.8989 59.4593 64.2413 174.2440 43 Q 2.0000 7.8262 120.0981 55.7418 27.6904 172.5224 44 P 4.6816 0.0000 0.0000 63.8823 31.8071 177.1696 45 W 5.5238 7.3942 115.4299 55.7395 31.6829 175.2395 46 K 4.7219 9.1891 122.0020 54.9247 35.1166 174.7007 47 F 4.9092 9.2454 126.1644 56.0403 40.6517 175.5340 48 V 4.0993 9.1924 125.9228 61.2540 32.6644 175.2597 49 V 4.2077 8.3303 129.5775 62.0227 31.7139 175.4148 50 V 4.0469 8.7382 130.3347 62.1201 31.7132 176.4520 51 R 4.4285 8.7412 126.0372 56.0073 32.6444 176.3737 52 E 4.4634 8.2064 115.0323 56.6397 31.3952 176.6466 53 K 4.5111 7.7527 116.4972 56.3690 32.7329 177.7838 54 N 4.2134 8.2426 119.3373 56.4469 38.1516 176.8424 55 A 3.9316 7.8617 120.2914 55.1684 18.6532 178.8735 56 E 4.0442 8.0657 117.2757 59.2161 29.8414 178.3679 57 L 3.9094 8.1442 120.4080 58.3161 42.2375 178.7735 58 A 3.9021 8.3722 120.8354 55.1592 17.9158 179.6826 59 K 4.3874 7.8204 116.1076 59.1120 32.4320 178.7393 60 L 4.3175 8.1948 118.2779 54.6688 41.7472 175.9839 61 A 4.7442 7.2164 122.5507 50.7832 20.0003 176.6678 62 Y 4.6849 8.6453 121.8815 58.8648 39.9872 176.1802 63 G 3.9798 8.6556 112.3892 46.5363 0.0000 177.5279 64 S 4.5678 8.6737 121.1414 60.3583 62.5771 175.5425 65 N 4.5138 8.3899 120.5886 55.8139 38.1559 176.7342 66 F 4.2559 8.2800 122.5645 61.6651 38.9569 177.1406 67 E 3.9291 8.0843 116.5348 59.1982 29.1890 179.2852 68 Q 4.1093 8.0359 117.7116 59.2302 28.7066 179.0575 69 V 3.5836 7.6034 117.5950 65.8943 31.5474 177.9628 70 S 4.0535 7.6118 114.3492 61.5666 62.7029 176.3889 71 S 4.3623 8.1536 116.6538 59.7448 63.0420 175.2130 72 A 3.2931 7.7943 125.5549 51.0133 18.4410 175.7284 73 P 4.2697 0.0000 0.0000 64.8583 31.7735 176.8347 74 V 4.7088 7.4631 117.6337 60.8537 35.0859 174.5309 75 T 4.9517 8.2637 116.6140 59.9355 72.0102 172.6299 76 I 4.7030 9.0548 126.7953 59.8836 39.1261 174.4619 77 A 4.6937 9.3065 130.6132 50.6999 20.4228 175.3899 78 L 4.7327 8.7232 126.1245 53.6913 43.7603 175.3904 79 F 5.4871 9.4520 125.3693 55.8886 42.6263 174.5295 80 T 5.2596 8.8499 110.7936 59.9744 72.2132 172.9005 81 D 4.5118 8.7607 123.8008 53.6451 40.9165 176.2847 82 T 3.9628 8.4758 116.9116 62.9055 69.7539 175.5765 83 D 4.5428 7.8213 122.9625 52.8953 40.4087 175.9391 84 L 3.6341 7.6477 125.4827 56.7244 41.7989 178.4226 85 A 4.0653 7.7317 120.4992 55.0984 18.4119 179.4136 86 K 3.8851 7.9867 118.0506 59.4071 32.2078 179.1232 87 R 3.8237 8.0024 118.9047 59.2144 30.1513 178.0783 88 A 4.2307 8.5637 120.9278 55.7226 18.3550 179.9793 89 R 3.9353 8.0977 116.2534 58.8646 30.0171 179.2332 90 K 3.8914 8.1590 119.6616 59.6015 32.1836 178.6067 91 I 3.6072 7.7420 119.7599 64.5099 37.0211 178.1882 92 A 3.8500 7.6685 121.0019 55.0772 17.9628 179.5396 93 R 3.8098 8.0932 116.4224 59.6349 30.3247 178.6158 94 V 3.8483 8.1123 117.4639 65.9284 31.4679 178.0553 95 G 3.6963 8.7096 106.0451 47.4596 0.0000 175.1433 96 G 4.0802 8.6382 110.4450 44.1621 0.0000 173.4758 97 A 4.2084 8.7009 120.1756 55.3581 18.3136 179.0731 98 N 4.5395 8.1451 111.7535 55.3421 38.8614 175.4848 99 N 4.6908 7.5532 113.1474 52.5581 41.0628 174.6339 100 F 5.3442 8.0190 116.3482 54.9770 41.8438 175.8846 101 S 4.4736 9.1218 120.4198 57.8150 64.9548 175.1953 102 E 3.9646 8.8397 121.5346 59.9593 29.1498 179.5871 103 E 3.9597 8.1273 118.3022 59.3066 29.8433 178.5626 104 Q 4.0419 8.0181 117.6228 59.0351 28.6113 178.7373 105 L 3.9935 8.2274 119.1529 58.0171 41.8552 179.1945 106 Q 4.0965 8.1806 119.3386 59.0020 28.8626 177.4953 107 Y 4.0214 8.0275 120.8263 60.5356 38.5385 177.6736 108 F 4.2394 7.6813 115.6441 57.9281 39.3155 176.6513 *110 K 4.2490 7.9598 120.1289 56.6490 34.0356 177.5825 111 N 4.1628 7.7697 115.9822 55.9971 38.3606 177.3939 112 L 3.0394 7.4220 121.8777 57.4823 42.1752 177.1059 113 P 4.2605 0.0000 0.0000 65.4864 30.9493 178.4371 114 A 3.8669 7.3367 118.4178 54.9409 18.5778 178.9389 115 E 3.8365 7.7117 117.7233 59.5287 29.7684 179.0265 116 F 3.3717 7.6313 117.7875 60.2728 38.6135 177.5046 117 A 4.0304 7.7247 119.7343 54.5908 18.1952 179.0840 118 R 4.2058 7.6949 112.9315 56.8813 30.3588 176.6852 119 Y 4.3679 7.3890 118.4141 57.5487 38.5622 176.5217 120 S 4.3896 8.5685 119.3409 58.1251 65.0734 175.1463 121 E 3.9474 8.7511 121.8225 59.9108 29.1949 179.5919 122 Q 3.9467 8.0277 118.7892 59.0579 29.1932 177.7219 123 Q 3.8984 8.0145 120.5321 59.1818 29.1493 178.4035 124 V 3.6985 8.0172 119.2473 66.1784 31.5679 177.7676 125 S 4.1329 8.2815 112.8353 61.7285 62.1695 175.9577 126 D 4.4243 8.6942 121.9069 57.3258 40.5034 178.1146 127 Y 4.0552 8.3288 120.1711 60.7607 38.7919 178.2566 128 L 4.0867 8.1880 119.5682 57.6923 41.7549 179.2329 129 A 4.0107 8.0687 120.7632 55.1333 18.3449 179.4633 130 L 3.9072 8.1195 118.7991 58.4971 42.2451 178.8740 131 N 4.4528 8.1475 116.2014 56.2541 38.3411 177.2402 132 A 4.2031 8.5481 122.6117 55.1251 18.2860 179.7957 133 G 3.6322 8.0396 103.0527 47.9539 0.0000 175.4673 134 L 4.2037 7.8821 120.5898 57.6406 41.9546 179.7917 135 V 3.6098 7.6847 118.2290 64.0959 31.3758 178.7402 136 A 4.2994 8.1434 120.9905 52.1157 18.1152 178.7357 *138 N 4.5679 8.1874 121.5649 55.1714 41.1277 176.1906 139 L 3.8429 8.1811 119.5636 58.2028 42.1676 179.1168 140 V 3.5977 7.7563 118.1429 65.9553 31.3320 178.0231 141 L 3.9623 7.8798 117.9869 57.6037 41.4782 178.7957 142 A 3.9762 8.1546 120.9863 55.3407 18.2603 179.5796 143 L 3.8986 8.2010 117.4763 58.4238 41.7661 179.7955 144 T 3.9628 7.9371 115.4885 66.9589 68.1709 176.0973 145 D 4.4301 8.2360 118.7902 56.7468 41.2565 177.2006 146 Q 4.4813 7.4918 116.8751 55.3660 28.8389 176.3847 147 G 3.9941 8.0052 107.8592 45.6166 0.0000 173.2563 148 I 4.0159 7.4529 120.0241 58.9838 39.1185 176.2041 149 G 4.1414 8.7009 114.2947 46.3944 0.0000 172.2740 150 S 5.7997 8.2434 112.9418 58.4250 66.5734 172.7269 151 N 5.2805 8.4747 118.4415 52.3539 42.6027 172.9562 152 I 4.7493 8.3729 125.9648 60.2719 39.0690 175.0755 153 I 4.6167 8.9826 127.2216 59.6910 39.7917 175.8883 154 L 4.7242 9.0708 127.7596 55.1175 43.3740 177.0759 155 G 4.1032 7.8936 108.9969 43.8703 0.0000 172.2840 156 F 4.1804 6.8432 117.0351 54.4338 40.6897 175.7789 157 D 4.6781 8.5540 123.4522 53.0286 40.7614 176.9837 158 K 4.0535 8.2285 127.7542 59.0864 31.9783 178.9926 159 S 4.3693 8.0436 113.2380 60.2529 63.2063 175.4940 160 K 4.5378 7.7217 120.3723 56.2027 33.0662 178.1345 161 V 3.7099 7.5405 118.5210 65.9348 31.3566 177.5163 162 N 4.4780 8.3122 115.8259 56.2955 38.3748 176.6620 163 E 3.9244 8.2090 120.0458 59.4248 29.6219 178.7836 164 V 3.6408 7.7255 116.6764 65.6811 31.7454 177.1019 165 L 4.3531 8.0052 115.1213 53.4030 43.0738 176.0630 166 E 3.7959 7.6717 117.9692 57.8081 27.1188 174.6553 167 I 4.3861 7.8850 117.8362 58.8544 40.6337 176.4734 168 E 4.1130 8.6328 124.2156 56.6535 29.8234 177.9458 169 D 4.6979 8.7512 122.3253 56.8200 41.4102 177.5172 170 R 3.9355 8.2249 119.8465 58.8101 31.0280 175.9908 171 F 5.3990 8.3221 117.2180 55.7617 40.6938 175.8013 172 R 5.0361 9.1699 120.4285 53.5206 32.1024 173.4702 173 P 3.5834 0.0000 0.0000 63.0419 31.5468 175.2546 174 E 4.5987 9.2445 123.0361 57.7771 31.3873 176.3639 175 L 4.9584 7.5169 116.6826 53.5418 46.7148 174.3871 176 L 4.7316 8.3577 121.8995 53.1883 44.1067 175.7367 177 I 5.0126 8.7141 124.3719 59.4794 40.0627 175.1306 178 T 4.4604 8.5180 118.5372 61.5632 70.4901 173.9480 179 V 4.7505 8.6685 123.3924 60.7675 35.2322 174.5743 180 G 4.0921 7.9225 114.8241 46.2080 0.0000 171.2674 181 Y 4.8322 7.9999 117.7067 57.6683 39.3215 175.3404 182 T 4.6527 8.6526 117.4509 61.4661 68.2485 173.8883 183 D 4.8680 8.4812 125.0879 53.9060 41.9877 175.4588 184 E 4.6149 7.8773 114.4068 54.7695 32.6425 175.2061 185 K 3.9394 8.6364 120.2499 56.9225 32.2093 176.3565 186 L 4.5666 8.1996 124.2204 52.9636 43.3920 176.0789 187 E 4.5231 8.2852 122.1106 53.9507 31.1815 174.3631 188 P 4.3423 0.0000 0.0000 62.9031 31.8520 176.8372 189 S 4.4799 8.3887 117.0573 57.5107 64.4000 173.1452 190 Y 4.2666 8.4326 121.9430 57.6121 39.1671 174.7200 191 R 4.3442 7.2993 124.4038 53.5423 33.4921 175.4597 192 L 4.0150 7.9734 120.7797 53.4284 42.4593 175.5571 193 P 4.3216 0.0000 0.0000 62.4714 32.1710 177.8785 194 V 3.6003 8.5545 121.9423 65.0868 31.1742 177.7484 195 D 4.5434 7.9382 117.6739 55.6442 40.9401 176.6437 196 E 4.1556 8.1415 120.0730 57.5957 29.8278 176.8227 197 I 4.3098 7.5118 109.8070 60.3475 38.2292 175.0347 198 I 4.4439 7.5840 122.2339 59.7461 38.8507 174.6258 199 E 4.7630 8.6116 123.8660 54.3638 32.2042 175.2597 200 K 4.6335 8.4286 120.6979 54.8382 34.2456 176.7848 201 R 4.2028 8.3201 121.3931 56.5653 31.1418 174.8617 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 K 8.17 4.35 0.00 1.88 1.91 0.00 1.65 0.00 0.00 1.99 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.46 7.81 3 F 8.44 4.20 0.00 3.13 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 4 L 8.25 3.76 0.00 1.78 1.66 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.02 3.86 0.00 1.99 2.14 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 2.28 2.35 0.00 6 L 7.82 4.05 0.00 1.93 1.70 1.09 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 7 N 7.83 4.09 0.00 2.63 2.62 0.00 0.00 7.10 6.50 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 8 K 7.85 4.02 0.00 1.86 1.84 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.47 7.81 9 K 7.39 4.35 0.00 1.93 1.90 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.62 1.40 7.81 10 R 7.12 4.12 0.00 1.74 1.87 0.00 3.18 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 11 H 8.32 4.83 0.00 3.08 3.11 0.00 5.95 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.52 4.12 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.62 4.36 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 1.35 0.00 0.00 14 K 8.23 4.31 0.00 1.55 1.52 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.33 7.81 15 H 7.41 4.72 0.00 3.09 3.09 0.00 5.75 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 16 F 8.54 5.30 0.00 3.01 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 17 T 8.52 4.57 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 1.30 0.00 0.00 18 D 8.42 4.65 0.00 2.70 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 19 K 7.63 3.90 0.00 1.55 1.63 0.00 1.38 0.00 0.00 0.61 0.00 0.00 2.28 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.14 1.22 7.81 20 L 8.39 4.13 0.00 1.69 1.61 0.92 0.90 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 21 V 8.08 4.29 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 0.70 0.00 0.00 0.86 0.00 0.00 22 D 8.64 4.51 0.00 2.79 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 23 P 0.00 4.20 0.00 2.18 2.08 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 24 K 8.16 3.94 0.00 1.84 1.92 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 25 D 8.31 4.32 0.00 2.84 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 26 V 7.67 3.48 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 0.98 0.00 0.00 0.87 0.00 0.00 27 R 7.99 3.81 0.00 1.95 2.03 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 28 T 8.05 3.81 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 1.18 0.00 0.00 29 A 8.18 3.97 1.29 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 30 I 7.61 3.24 1.73 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.58 0.12 0.00 0.00 31 E 7.87 3.83 0.00 1.98 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 0.00 2.29 2.33 0.00 32 I 7.78 3.79 1.81 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 1.42 0.54 0.88 0.00 0.00 33 A 8.02 3.91 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 34 T 7.50 4.06 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 0.95 0.00 0.00 35 L 7.75 4.11 0.00 1.81 1.80 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.49 4.06 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.77 0.00 2.28 2.15 0.00 3.81 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 2.06 2.00 0.00 38 S 8.28 4.80 0.00 3.98 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 39 A 8.73 4.14 1.21 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 40 H 9.41 4.21 0.00 3.58 3.53 0.00 6.05 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.37 4.34 0.00 3.01 3.23 0.00 0.00 7.11 7.25 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 42 S 8.88 4.35 0.00 4.23 4.43 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 43 Q 7.83 2.00 0.00 1.47 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.68 0.00 0.00 0.00 0.00 0.00 2.32 2.12 0.00 44 P 0.00 4.68 0.00 2.14 2.26 0.00 2.92 0.00 0.00 3.47 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 45 W 7.39 5.52 0.00 2.95 3.21 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 71 S 8.15 4.36 0.00 3.99 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 72 A 7.79 3.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.27 0.00 2.10 2.14 0.00 3.06 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.88 0.00 74 V 7.46 4.71 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 1.00 0.00 0.00 0.85 0.00 0.00 75 T 8.26 4.95 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 1.08 0.00 0.00 76 I 9.05 4.70 1.90 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 1.18 0.53 1.10 0.00 0.00 77 A 9.31 4.69 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.72 4.73 0.00 1.57 1.40 0.81 0.10 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 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4.26 0.00 2.10 2.05 0.00 3.51 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 114 A 7.34 3.87 1.25 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 0.00 0.00 115 E 7.71 3.84 0.00 1.78 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 1.82 2.35 0.00 116 F 7.63 3.37 0.00 2.94 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 0.00 117 A 7.72 4.03 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 0.00 118 R 7.69 4.21 0.00 2.04 2.08 0.00 3.18 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 119 Y 7.39 4.37 0.00 2.99 2.89 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 0.00 120 S 8.57 4.39 0.00 4.06 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 0.00 121 E 8.75 3.95 0.00 2.04 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 2.41 2.39 0.00 122 Q 8.03 3.95 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 123 Q 8.01 3.90 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.56 0.00 0.00 0.00 0.00 0.00 1.83 2.14 0.00 124 V 8.02 3.70 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 0.90 0.00 0.00 1.04 0.00 0.00 125 S 8.28 4.13 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 0.00 126 D 8.69 4.42 0.00 3.00 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 0.00 127 Y 8.33 4.06 0.00 3.35 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 0.00 128 L 8.19 4.09 0.00 1.85 1.87 0.99 0.95 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 0.00 129 A 8.07 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 3.91 0.00 1.83 1.63 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 131 N 8.15 4.45 0.00 2.90 3.04 0.00 0.00 6.96 7.96 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 0.00 132 A 8.55 4.20 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 0.00 133 G 8.04 3.63 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 0.00 134 L 7.88 4.20 0.00 1.92 1.82 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.68 3.61 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 0.00 0.00 0.53 0.00 0.00 0.15 0.00 0.00 136 A 8.14 4.30 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 *138 N 8.19 4.57 0.00 2.94 2.88 0.00 0.00 6.71 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 0.00 139 L 8.18 3.84 0.00 1.86 1.83 0.80 1.12 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 0.00 140 V 7.76 3.60 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 0.97 0.00 0.00 0.93 0.00 0.00 141 L 7.88 3.96 0.00 1.93 1.79 1.16 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.15 3.98 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 0.00 143 L 8.20 3.90 0.00 1.79 1.78 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 144 T 7.94 3.96 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 1.21 0.00 0.00 145 D 8.24 4.43 0.00 2.79 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 0.00 146 Q 7.49 4.48 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.81 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 147 G 8.01 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.45 4.02 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.73 0.55 0.00 0.00 149 G 8.70 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 0.00 0.00 0.00 150 S 8.24 5.80 0.00 3.88 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 0.00 151 N 8.47 5.28 0.00 3.06 2.69 0.00 0.00 7.54 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 0.00 152 I 8.37 4.75 1.89 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 1.35 0.71 0.93 0.00 0.00 153 I 8.98 4.62 1.93 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 1.15 1.01 1.03 0.00 0.00 154 L 9.07 4.72 0.00 1.65 1.70 0.93 1.09 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 0.00 155 G 7.89 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 F 6.84 4.18 0.00 3.01 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 0.00 157 D 8.55 4.68 0.00 2.78 2.68 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 0.00 158 K 8.23 4.05 0.00 1.72 1.80 0.00 1.52 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.27 0.76 7.81 159 S 8.04 4.37 0.00 4.04 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 0.00 160 K 7.72 4.54 0.00 1.83 1.90 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.40 1.45 7.81 161 V 7.54 3.71 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.17 0.00 0.00 162 N 8.31 4.48 0.00 2.89 3.12 0.00 0.00 6.76 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 0.00 163 E 8.21 3.92 0.00 2.07 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 0.00 2.41 2.40 0.00 164 V 7.73 3.64 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 0.92 0.00 0.00 1.00 0.00 0.00 165 L 8.01 4.35 0.00 1.84 1.71 1.07 0.83 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 0.00 166 E 7.67 3.80 0.00 2.03 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 2.25 2.26 0.00 167 I 7.88 4.39 1.59 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.34 0.11 0.00 0.00 168 E 8.63 4.11 0.00 2.19 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 2.42 2.35 0.00 169 D 8.75 4.70 0.00 2.70 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 0.00 170 R 8.22 3.94 0.00 1.81 1.62 0.00 2.21 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 171 F 8.32 5.40 0.00 3.02 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 R 9.17 5.04 0.00 1.90 2.09 0.00 2.80 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 173 P 0.00 3.58 0.00 2.13 1.51 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 174 E 9.24 4.60 0.00 1.90 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 2.44 2.44 0.00 175 L 7.52 4.96 0.00 1.50 1.47 0.93 0.68 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 0.00 176 L 8.36 4.73 0.00 1.28 1.27 0.42 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 177 I 8.71 5.01 1.85 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 1.27 1.00 0.90 0.00 0.00 178 T 8.52 4.46 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 1.18 0.00 0.00 179 V 8.67 4.75 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 0.79 0.00 0.00 0.92 0.00 0.00 180 G 7.92 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 0.00 181 Y 8.00 4.83 0.00 3.09 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 T 8.65 4.65 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 1.26 0.00 0.00 183 D 8.48 4.87 0.00 2.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 E 7.88 4.61 0.00 2.06 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 2.16 2.22 0.00 185 K 8.64 3.94 0.00 1.74 1.80 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.45 7.81 186 L 8.20 4.57 0.00 1.29 1.39 0.92 0.98 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 0.00 187 E 8.29 4.52 0.00 1.94 1.86 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 2.23 2.25 0.00 188 P 0.00 4.34 0.00 2.05 2.01 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 189 S 8.39 4.48 0.00 4.03 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 Y 8.43 4.27 0.00 2.99 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 0.00 191 R 7.30 4.34 0.00 1.53 1.55 0.00 3.35 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.44 0.00 192 L 7.97 4.02 0.00 1.56 1.61 0.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 193 P 0.00 4.32 0.00 2.18 1.98 0.00 3.66 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 194 V 8.55 3.60 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 0.74 0.00 0.00 0.92 0.00 0.00 195 D 7.94 4.54 0.00 2.69 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 0.00 196 E 8.14 4.16 0.00 1.93 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 2.34 2.30 0.00 197 I 7.51 4.31 1.87 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 1.28 0.75 0.91 0.00 0.00 198 I 7.58 4.44 1.87 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 1.42 0.76 0.91 0.00 0.00 199 E 8.61 4.76 0.00 1.92 1.83 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 2.21 2.23 0.00 200 K 8.43 4.63 0.00 1.72 1.71 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.42 7.81 201 R 8.32 4.20 0.00 1.73 1.75 0.00 3.40 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.