NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.6946 8.4444 117.8472 55.8515 30.9605 173.6552 1 M 4.1405 8.0492 119.1560 55.4144 32.6327 174.4259 2 K 4.7710 9.6560 126.7999 55.4057 35.2889 175.0916 3 I 4.8979 8.8967 123.9844 59.7786 39.8534 175.0775 4 F 5.5826 8.8341 125.7872 56.1905 41.9943 174.5772 5 L 5.1519 8.3998 120.6902 53.5727 43.6833 176.2111 6 D 5.1127 8.9139 124.9160 53.8962 39.6481 175.3564 7 T 4.4380 8.1532 115.6205 61.2893 71.0472 172.4484 8 A 4.5849 8.5638 125.6192 51.2587 20.4070 176.0385 9 N 4.6044 8.6803 117.3446 53.3234 39.9346 175.8942 10 L 4.0612 8.5284 130.6285 58.0706 41.8116 179.9066 11 E 3.8459 8.4224 119.0071 60.9466 29.7046 182.6619 12 E 3.2122 7.9445 118.4990 58.8310 29.4010 179.2167 13 I 3.6151 7.3797 120.4066 63.8444 37.1465 178.2240 14 K 3.7749 8.1096 120.8071 59.3166 32.0068 178.8116 15 K 3.4791 7.8962 119.0348 59.2546 32.0078 179.2839 16 G 3.9217 7.8403 105.6962 48.2359 0.0000 176.0659 17 V 3.7697 7.9135 114.8440 63.7172 31.3679 178.2884 18 E 3.9030 8.2860 118.1018 59.5338 29.4373 179.3345 19 W 4.7465 8.0993 116.8404 57.2980 29.2409 176.8879 20 G 4.0170 8.0899 106.7695 46.6357 0.0000 174.2568 21 I 4.4550 7.9624 111.8932 59.7493 39.2244 175.2331 22 V 4.5042 7.9331 121.3009 61.7747 32.3535 174.6149 23 D 4.7691 9.2230 127.0800 55.1611 42.9506 176.0623 24 G 3.6193 7.4279 103.5335 45.7628 0.0000 172.0639 25 V 5.0309 7.8408 118.9477 61.2848 35.2823 174.5445 26 T 5.4046 8.8447 117.3058 59.5881 71.1383 173.3314 27 T 5.0255 8.3373 120.2939 62.0336 72.6958 172.7725 28 N 5.2354 8.5325 117.7860 50.0837 40.1285 173.8133 29 P 4.4119 0.0000 0.0000 65.4859 31.2929 178.8180 30 T 3.8962 8.0267 118.5002 67.2657 68.5769 176.6535 *31 L 4.0526 9.9462 126.9016 60.3953 40.6539 181.9325 *32 I 3.9457 7.7199 121.3308 65.0950 34.0830 180.0135 33 S 4.4769 8.3772 116.3758 60.5732 62.6515 176.5768 34 K 4.1879 8.0335 121.8507 58.9198 31.8817 178.5706 35 E 4.1681 7.7706 118.1498 60.1687 30.2606 177.3121 36 G 3.5136 6.3575 105.6965 45.2837 0.0000 172.3036 37 A 4.5971 7.7698 123.5094 50.4872 23.2584 176.7177 *38 E 4.8311 8.3215 119.7223 58.2616 33.4990 174.6960 *39 F 3.6369 8.1355 119.2076 61.0033 38.9253 178.0434 40 K 4.1599 7.9181 116.8712 59.3930 32.3275 179.1126 41 Q 3.9028 8.0343 119.2374 59.5035 29.0221 178.4641 42 R 3.9830 7.9185 119.1315 59.0857 29.9919 178.5842 43 V 3.6286 7.8214 120.4733 66.4136 31.5226 178.7430 *44 K 3.9734 8.0306 123.3363 59.9705 31.4930 180.6762 45 E 4.1710 8.4305 120.4955 59.1609 29.2845 179.6585 46 I 3.6312 8.1697 120.2047 64.4841 37.1003 178.0680 47 C 3.9804 8.1600 117.6035 63.1995 27.8165 176.0164 48 D 4.3393 7.9440 118.7391 57.0772 40.3820 178.5703 49 L 4.0622 7.3177 119.9505 58.0313 42.3921 178.9149 50 V 3.6442 7.9289 117.6260 61.8597 32.6070 176.0054 51 K 2.7379 7.8312 118.4691 55.8504 29.8541 172.8509 52 G 4.2024 6.8122 102.5794 45.0692 0.0000 171.6232 53 P 4.5425 0.0000 0.0000 63.6675 32.0499 175.4025 54 V 4.6348 8.6698 124.3542 60.7337 34.0199 174.2302 55 S 5.0453 8.8558 124.2388 57.9267 64.5548 173.2333 56 A 5.0273 9.1453 125.4363 50.0744 22.5632 174.8678 57 E 4.6467 8.7925 119.5741 55.7655 31.7906 176.2337 58 V 4.1863 7.6071 114.9042 60.7775 32.8555 177.1385 59 V 3.7609 8.4441 115.7843 64.3884 31.6803 177.5769 60 S 4.3884 8.9235 114.1933 58.1361 62.7374 174.0932 61 L 4.6845 8.2662 122.7534 54.3382 43.6081 177.3141 62 D 4.9413 7.7297 120.7095 51.8813 41.8991 176.1847 63 Y 4.1543 8.8378 122.5064 61.2312 38.7153 178.6461 64 E 3.7420 8.3159 118.7196 59.3504 29.6260 179.4836 65 G 3.6357 8.4159 106.9579 47.4178 0.0000 175.5233 66 M 4.0095 8.2522 121.4967 58.1060 32.0238 179.0596 67 V 3.4049 7.5076 118.1025 65.8565 31.5732 177.6548 68 R 3.8295 7.8840 118.5327 59.8864 29.7854 178.3053 69 E 4.1059 8.3852 117.8896 59.1211 29.3305 179.0758 70 A 3.9883 8.2234 121.1740 55.3783 18.2416 179.8815 71 R 3.8338 8.0277 116.4431 59.2105 29.8591 178.9890 72 E 3.9404 7.5897 118.2823 59.3886 30.0433 178.5666 73 L 4.1114 8.2894 119.2056 57.7737 41.8239 179.4148 74 A 4.0665 8.3542 120.9211 55.1037 18.0749 179.3821 75 Q 4.1553 7.6440 115.1301 58.1422 28.7549 178.4496 76 I 3.8926 7.5116 121.4158 63.2274 37.9010 176.2500 77 S 4.6116 7.0251 109.8929 57.2281 65.6646 176.1872 78 E 3.9503 8.6279 121.6655 59.2748 29.5805 177.9961 79 Y 4.3667 7.5017 116.3283 59.7400 38.3847 175.6650 80 V 4.2763 7.5212 120.3077 62.9541 32.2662 175.4935 81 V 4.5464 8.7632 127.2214 61.1598 34.7168 174.0649 82 I 4.7093 8.6977 128.9632 60.1172 38.4961 175.1576 83 K 4.7809 9.0155 128.1920 56.3030 33.3150 176.1510 84 I 4.8925 8.7352 126.0193 58.5311 40.3934 173.4998 85 P 4.5712 0.0000 0.0000 62.8872 32.8329 175.6952 86 M 4.6551 8.4620 122.8225 55.6726 31.2348 175.1358 87 T 4.7765 8.0270 114.4372 57.9621 72.8241 173.6232 88 P 4.2147 0.0000 0.0000 66.0616 30.7433 178.6530 89 D 4.5034 8.2094 117.1238 57.3830 40.7529 178.9572 90 G 3.8188 8.3476 107.7659 47.3461 0.0000 175.8822 91 I 3.7924 8.1194 122.3784 63.7800 37.2080 178.2516 92 K 3.8247 8.3125 120.5052 59.6051 31.9550 178.5281 93 A 4.2193 8.5955 121.2913 55.3438 18.1881 179.7768 94 V 3.5616 7.8360 116.7095 65.8546 31.4685 177.9872 95 K 4.1088 8.0081 120.7409 59.2481 31.6117 178.8451 96 T 3.9417 7.9071 115.4860 66.8762 68.3942 176.8766 97 L 4.1212 8.3868 121.2361 57.5460 41.6163 179.5548 98 S 4.0957 8.4374 115.4797 61.7955 62.6265 176.6683 99 A 4.0708 7.5948 121.7934 54.6988 18.1052 178.4735 100 E 4.4291 7.5610 113.4523 55.7349 29.7707 176.9504 101 G 3.8697 7.8120 106.8349 46.0629 0.0000 173.3155 102 I 4.3368 7.7924 120.7551 59.5996 38.2300 176.0465 103 K 4.4563 8.6738 126.8041 56.4544 33.4348 176.0639 104 T 5.1690 9.0008 113.3985 60.0276 72.7905 172.6332 105 N 5.3975 9.3175 121.7532 51.8567 41.7195 173.0397 106 V 4.3227 8.7853 127.7042 62.9232 32.9605 174.9653 107 T 4.8189 8.8889 122.3738 59.5911 71.1940 172.8826 108 L 2.4400 7.5594 119.6889 55.2912 39.0599 175.4534 109 V 4.1992 6.6180 117.2750 61.5738 32.5007 175.5136 110 F 4.9432 9.4527 124.9422 56.7827 40.2439 175.5394 111 S 4.7656 7.6946 115.5229 55.2244 67.1322 173.0549 112 P 4.2644 0.0000 0.0000 65.7530 31.0738 178.6678 113 A 3.9677 7.9784 120.3547 55.2266 18.4132 179.2548 114 Q 3.9373 7.8170 116.2108 59.2669 28.8835 179.1789 115 A 4.0705 7.8321 121.5529 55.0696 18.2676 179.8402 116 I 3.5278 7.7038 118.4324 64.5126 37.1880 178.5768 117 L 3.8736 7.7325 119.0828 57.6705 41.4574 179.3980 118 A 3.9411 8.1116 120.4463 55.1921 18.3380 179.6146 119 A 4.2564 7.6219 120.4019 54.6874 18.0674 180.0941 120 K 3.8654 7.6464 115.8540 59.1925 31.8607 179.0681 121 A 4.1963 8.1169 120.6825 53.1348 18.0206 178.5737 122 G 3.7941 7.5812 105.1990 45.2396 0.0000 173.8641 123 A 4.3419 7.4599 121.2527 51.8616 19.1099 179.0563 124 T 3.9978 8.5550 118.1815 66.2081 69.8327 174.2663 125 Y 5.5171 8.6170 117.2711 56.3333 42.8827 175.0172 126 V 4.9947 9.0597 114.1291 59.9944 35.8524 175.2608 127 S 5.4912 9.0164 120.0892 55.0006 64.5483 170.7204 128 P 4.5263 0.0000 0.0000 62.4454 32.3662 175.6558 129 F 4.7806 8.7069 124.0549 56.4920 38.3848 177.0599 130 V 3.6706 8.8421 123.3523 65.8929 31.6178 177.8685 131 G 3.6412 8.3532 105.6702 47.7365 0.0000 175.5166 132 R 4.0843 7.8956 119.9207 59.5347 30.5184 178.2671 133 M 4.3169 8.0744 118.0537 58.3851 31.9912 178.1351 134 D 4.4667 8.4407 119.3407 57.8764 40.8387 178.9320 135 D 4.4535 7.9894 117.7936 56.9567 40.3657 178.0088 136 L 4.2211 7.8315 117.4752 54.6816 41.4526 177.8682 137 S 3.9760 7.7511 113.7708 59.6831 60.8166 171.7836 138 N 4.6035 7.6414 115.8880 52.5069 38.4705 172.7704 139 D 4.3334 8.0921 123.2448 54.2672 38.7233 174.0872 140 G 3.6450 9.5854 112.8429 47.5967 0.0000 172.7499 141 M 4.0629 8.1508 120.4898 57.9908 32.0149 178.6774 142 R 3.9062 8.0409 119.5818 59.5417 30.3590 178.4912 143 M 4.1145 7.8579 117.0489 58.0642 31.1521 178.2900 144 L 3.9595 8.2746 121.8297 58.0166 42.2920 179.1337 145 G 3.6534 8.2103 105.6191 48.0054 0.0000 175.4595 146 E 4.0369 8.3330 120.6924 59.1713 29.3563 179.5221 147 I 3.6567 7.6061 119.5370 64.0792 37.0847 178.3653 148 V 3.5304 7.8234 119.3150 66.1267 31.3414 177.5171 149 E 3.9391 8.2668 118.7748 59.5200 29.2760 178.9553 150 I 3.9043 7.9735 119.6353 64.7666 37.2644 178.0909 151 Y 4.5651 8.7188 117.9955 61.2666 37.4340 178.3739 152 N 4.3904 8.5646 117.1694 56.3947 38.7144 176.7262 153 N 4.1992 7.9811 116.8990 55.6266 38.2795 175.9328 154 Y 4.4995 7.4792 115.1820 56.0065 39.4406 175.7719 155 G 3.9853 8.0828 108.0223 45.7492 0.0000 174.1891 156 F 4.2359 6.8068 113.0728 57.4883 39.5431 176.5393 157 E 4.0903 8.7932 123.8656 59.2348 29.8854 177.8115 158 T 4.1575 7.8765 115.7642 64.4372 69.4751 172.9924 159 E 5.2113 9.1956 125.6928 55.0553 32.4478 174.9865 160 I 4.6408 9.1532 124.5682 60.4006 39.2104 174.8409 161 I 4.6554 8.8184 128.8940 59.2049 38.7908 175.0587 162 A 4.1580 8.9197 130.9274 52.2693 19.3795 176.1582 163 A 4.7262 8.4501 123.8251 49.4310 23.2238 175.1814 164 S 3.6078 7.6411 109.4497 59.3189 60.6520 171.8808 165 I 4.3682 7.4238 119.0605 60.5708 38.0724 176.4819 166 R 4.5806 8.3898 122.4166 56.2388 32.5682 174.8784 167 H 4.7104 7.4590 111.2233 52.6490 31.0624 172.5983 168 P 4.2405 0.0000 0.0000 66.4192 30.9108 178.8683 169 M 4.1575 8.0959 116.6937 58.3602 31.8911 178.2031 170 H 4.2072 8.1044 116.2956 58.9703 28.9019 177.8946 171 V 3.5574 7.6235 119.3658 65.8972 31.4172 178.1395 172 V 3.5588 7.8208 117.9523 66.1372 31.4344 177.9243 173 E 3.9539 8.4963 118.3989 59.2323 29.2528 179.2007 174 A 3.9535 8.1615 120.6820 55.1406 18.5610 179.5983 175 A 3.9516 8.1107 119.2814 55.2649 18.2177 179.9085 176 L 3.9941 7.9419 116.7153 57.8560 41.7502 178.9686 177 M 4.3010 7.8215 116.6376 55.3811 32.3393 176.3960 178 G 3.7921 7.8451 106.8692 45.9465 0.0000 174.4389 179 V 3.7762 7.4286 118.2289 61.4473 32.3585 175.9494 180 D 4.6007 8.7643 121.8987 57.2906 41.9020 176.4154 181 I 5.0752 8.0934 118.2105 59.3816 42.0341 174.6028 182 V 4.6364 8.4560 125.4659 60.0357 33.9889 174.1497 183 T 5.1623 8.4341 119.7897 60.5003 68.8877 173.2047 184 M 4.9371 8.8245 124.8678 53.0566 35.3876 173.0008 185 P 4.7279 0.0000 0.0000 62.2570 32.4938 177.4328 186 F 4.3445 9.0664 122.0797 61.5926 39.0665 177.2596 187 A 3.9035 8.1719 119.9600 55.2189 17.9180 179.6637 188 V 3.5279 7.6448 115.4078 65.8096 32.0576 177.4876 189 L 4.0536 7.6457 119.6767 58.3137 41.4415 178.7360 190 E 3.9522 8.0903 118.5529 59.5202 29.3001 179.5906 191 K 4.0217 7.8054 118.3080 59.3855 31.8292 179.3394 192 L 3.9055 7.5221 118.4129 57.6395 41.4853 179.2519 193 F 3.9691 7.6909 116.2694 58.6814 39.1539 175.7272 194 K 4.5040 7.4867 117.8027 55.6389 33.3510 176.1559 195 H 4.7621 8.2899 120.6759 53.1988 34.0718 172.8123 196 P 4.3065 0.0000 0.0000 66.2801 31.0795 178.7281 197 M 4.1567 8.2745 118.0829 58.2176 31.8499 178.6111 198 T 3.8834 7.9303 115.6768 66.8119 68.7289 176.2043 199 D 4.3668 7.9471 120.3800 57.3680 40.7439 178.9281 200 L 4.2664 8.2043 119.7089 57.5933 41.6197 179.5933 201 G 3.6552 8.3003 105.8785 47.9892 0.0000 175.7605 202 I 3.8333 8.0647 122.4374 64.1629 36.9089 178.3571 203 E 3.9933 7.9727 118.3384 59.5598 29.3284 179.1542 204 R 3.9961 8.0312 118.0061 59.2502 30.3051 178.1422 205 F 4.6503 8.5749 117.4914 60.3378 40.2741 177.2473 206 M 4.4172 7.7383 121.0270 52.5289 30.1748 176.3460 207 E 4.7526 8.1978 122.3881 56.8778 30.1930 176.5288 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 H 8.44 4.69 0.00 3.18 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.05 4.14 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.59 0.00 2 K 9.66 4.77 0.00 1.51 1.76 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.72 7.81 3 I 8.90 4.90 2.17 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 1.21 0.66 0.98 0.00 0.00 4 F 8.83 5.58 0.00 2.87 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.40 5.15 0.00 1.68 1.65 1.08 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.91 5.11 0.00 2.56 2.66 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 0.00 0.00 0.00 0.00 7 T 8.15 4.44 4.35 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 1.20 0.00 0.00 8 A 8.56 4.58 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 9 N 8.68 4.60 0.00 2.82 2.74 0.00 0.00 7.21 6.53 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 10 L 8.53 4.06 0.00 1.65 1.61 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.42 3.85 0.00 1.97 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 2.24 2.19 0.00 12 E 7.94 3.21 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.08 0.00 13 I 7.38 3.62 1.88 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 1.34 0.57 0.82 0.00 0.00 14 K 8.11 3.77 0.00 1.74 1.78 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.36 7.81 15 K 7.90 3.48 0.00 1.52 0.74 0.00 1.84 0.00 0.00 1.40 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.08 1.32 7.81 16 G 7.84 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 0.00 0.00 0.00 17 V 7.91 3.77 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.91 0.00 0.00 18 E 8.29 3.90 0.00 1.68 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 2.25 2.37 0.00 19 W 8.10 4.75 0.00 3.74 3.30 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 20 G 8.09 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 0.00 0.00 0.00 21 I 7.96 4.45 1.95 0.00 0.00 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 1.62 1.13 0.97 0.00 0.00 22 V 7.93 4.50 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 0.99 0.00 0.00 1.12 0.00 0.00 23 D 9.22 4.77 0.00 2.93 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 24 G 7.43 3.62 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 25 V 7.84 5.03 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 1.09 0.00 0.00 0.85 0.00 0.00 26 T 8.84 5.40 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 1.33 0.00 0.00 27 T 8.34 5.03 4.45 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 1.21 0.00 0.00 28 N 8.53 5.24 0.00 2.92 2.95 0.00 0.00 6.49 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 29 P 0.00 4.41 0.00 2.29 2.36 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 30 T 8.03 3.90 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 1.23 0.00 0.00 *31 L 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0.00 106 V 8.79 4.32 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 0.93 0.00 0.00 0.97 0.00 0.00 107 T 8.89 4.82 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 1.26 0.00 0.00 108 L 7.56 2.44 0.00 1.70 1.66 0.91 0.51 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 0.00 109 V 6.62 4.20 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 0.95 0.00 0.00 0.89 0.00 0.00 110 F 9.45 4.94 0.00 2.97 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 0.00 111 S 7.69 4.77 0.00 4.03 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 0.00 112 P 0.00 4.26 0.00 2.33 2.37 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.29 0.00 113 A 7.98 3.97 1.36 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 0.00 114 Q 7.82 3.94 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 115 A 7.83 4.07 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 0.00 116 I 7.70 3.53 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.75 0.84 0.00 0.00 117 L 7.73 3.87 0.00 1.81 1.68 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.11 3.94 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 0.00 119 A 7.62 4.26 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 0.00 120 K 7.65 3.87 0.00 1.61 1.81 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.39 7.81 121 A 8.12 4.20 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 0.00 122 G 7.58 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 0.00 0.00 0.00 123 A 7.46 4.34 1.39 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 0.00 0.00 0.00 124 T 8.55 4.00 4.32 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 0.71 0.00 0.00 125 Y 8.62 5.52 0.00 2.94 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 0.00 126 V 9.06 4.99 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 1.15 0.00 0.00 127 S 9.02 5.49 0.00 3.89 3.80 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 0.00 128 P 0.00 4.53 0.00 2.01 1.90 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 129 F 8.71 4.78 0.00 2.23 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 0.00 130 V 8.84 3.67 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 0.83 0.00 0.00 0.84 0.00 0.00 131 G 8.35 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.90 4.08 0.00 2.18 2.41 0.00 3.91 0.00 0.00 3.49 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.85 0.00 133 M 8.07 4.32 0.00 2.18 2.35 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 3.14 0.00 134 D 8.44 4.47 0.00 2.92 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 0.00 135 D 7.99 4.45 0.00 2.91 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 0.00 136 L 7.83 4.22 0.00 1.99 1.70 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 137 S 7.75 3.98 0.00 4.04 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 0.00 138 N 7.64 4.60 0.00 2.93 2.86 0.00 0.00 6.83 7.94 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 0.00 139 D 8.09 4.33 0.00 2.87 2.70 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 0.00 140 G 9.59 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 141 M 8.15 4.06 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.54 0.00 142 R 8.04 3.91 0.00 2.08 2.09 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 1.62 1.51 0.00 143 M 7.86 4.11 0.00 2.33 2.33 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.64 0.00 144 L 8.27 3.96 0.00 1.80 1.84 0.84 1.23 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 0.00 145 G 8.21 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.33 4.04 0.00 2.19 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 2.34 2.50 0.00 147 I 7.61 3.66 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 1.30 0.74 0.31 0.00 0.00 148 V 7.82 3.53 2.21 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 1.07 0.00 0.00 0.91 0.00 0.00 149 E 8.27 3.94 0.00 2.18 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 0.00 2.32 2.42 0.00 150 I 7.97 3.90 2.17 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 1.75 0.68 1.45 0.00 0.00 151 Y 8.72 4.57 0.00 3.12 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 0.00 152 N 8.56 4.39 0.00 2.86 2.86 0.00 0.00 7.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 N 7.98 4.20 0.00 2.29 1.97 0.00 0.00 6.89 7.01 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 0.00 154 Y 7.48 4.50 0.00 1.92 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 0.00 0.00 0.00 155 G 8.08 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 0.00 156 F 6.81 4.24 0.00 2.49 2.55 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 0.00 157 E 8.79 4.09 0.00 1.92 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 2.31 2.39 0.00 158 T 7.88 4.16 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 1.39 0.00 0.00 159 E 9.20 5.21 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 160 I 9.15 4.64 1.87 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.04 0.83 0.00 0.00 161 I 8.82 4.66 1.93 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.69 0.76 0.00 0.00 162 A 8.92 4.16 1.15 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 0.00 0.00 163 A 8.45 4.73 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 S 7.64 3.61 0.00 3.55 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 I 7.42 4.37 1.92 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 1.40 0.92 0.89 0.00 0.00 166 R 8.39 4.58 0.00 1.72 1.94 0.00 3.43 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 167 H 7.46 4.71 0.00 3.26 3.33 0.00 5.68 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 0.00 168 P 0.00 4.24 0.00 2.16 2.13 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 169 M 8.10 4.16 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 170 H 8.10 4.21 0.00 3.31 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 V 7.62 3.56 2.21 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 0.98 0.00 0.00 0.90 0.00 0.00 172 V 7.82 3.56 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 0.96 0.00 0.00 0.98 0.00 0.00 173 E 8.50 3.95 0.00 2.20 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 2.33 2.33 0.00 174 A 8.16 3.95 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 0.00 175 A 8.11 3.95 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 0.00 176 L 7.94 3.99 0.00 1.76 1.74 0.91 0.78 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 0.00 177 M 7.82 4.30 0.00 1.97 2.09 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 2.80 2.54 0.00 178 G 7.85 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 0.00 0.00 0.00 179 V 7.43 3.78 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 0.72 0.00 0.00 0.93 0.00 0.00 180 D 8.76 4.60 0.00 2.89 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 0.00 181 I 8.09 5.08 1.64 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 1.12 0.74 -0.35 0.00 0.00 182 V 8.46 4.64 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 0.68 0.00 0.00 0.87 0.00 0.00 183 T 8.43 5.16 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 184 M 8.82 4.94 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 185 P 0.00 4.73 0.00 2.25 2.06 0.00 3.61 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 186 F 9.07 4.34 0.00 3.27 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 0.00 187 A 8.17 3.90 1.36 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 0.00 188 V 7.64 3.53 2.21 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 0.85 0.00 0.00 0.94 0.00 0.00 189 L 7.65 4.05 0.00 1.88 1.76 0.92 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 190 E 8.09 3.95 0.00 2.04 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 0.00 1.96 1.73 0.00 191 K 7.81 4.02 0.00 1.93 1.84 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 192 L 7.52 3.91 0.00 1.59 1.43 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 193 F 7.69 3.97 0.00 2.98 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 K 7.49 4.50 0.00 1.84 1.72 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.57 7.81 195 H 8.29 4.76 0.00 3.13 3.07 0.00 5.68 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 P 0.00 4.31 0.00 2.28 2.25 0.00 3.21 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 1.95 1.94 0.00 197 M 8.27 4.16 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.68 0.00 198 T 7.93 3.88 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 199 D 7.95 4.37 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 0.00 200 L 8.20 4.27 0.00 1.69 1.69 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 201 G 8.30 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 I 8.06 3.83 2.04 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 1.57 1.44 0.94 0.00 0.00 203 E 7.97 3.99 0.00 2.11 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 2.33 0.00 204 R 8.03 4.00 0.00 1.73 2.09 0.00 3.19 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.44 0.00 205 F 8.57 4.65 0.00 3.20 2.97 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 0.00 206 M 7.74 4.42 0.00 2.00 2.11 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 2.67 2.79 0.00 207 E 8.20 4.75 0.00 2.11 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 2.06 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.