NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 P 4.2516 0.0000 0.0000 63.2254 32.7453 172.2944 -1 G 3.8317 8.8738 118.9303 43.2572 0.0000 171.8474 0 S 4.5468 9.1810 120.6711 58.4297 65.8906 171.1042 1 M 5.1195 8.5243 119.3876 53.8481 34.7354 175.2935 2 S 4.8466 8.9417 117.1510 56.3670 67.8961 173.3071 3 V 3.5194 7.8773 121.5312 63.0128 31.6430 175.3037 4 M 4.4589 8.5982 128.3969 53.3581 33.6186 174.4472 5 P 4.5770 0.0000 0.0000 61.7128 33.2483 176.7964 6 D 4.5068 8.7225 120.6600 57.3354 39.0177 179.2488 7 H 4.2560 8.1733 116.6103 57.7081 28.4950 177.1863 8 W 4.0213 7.9732 130.6579 60.2605 30.6321 177.8651 9 I 3.3958 8.0926 119.8754 64.0563 36.5233 178.1629 10 K 3.6152 8.5106 123.2182 60.1975 32.0753 179.2184 11 E 3.8308 7.8208 118.2476 61.2358 29.5984 181.1847 12 R 4.0196 7.3672 118.9063 58.4790 29.7730 179.1677 13 A 3.5940 7.3307 120.7149 55.0007 18.0444 179.7749 14 L 3.7620 7.4728 116.3581 57.6700 41.7917 179.3511 15 K 4.1723 8.1515 117.0753 57.6570 32.4938 177.4171 16 D 4.6538 7.6556 115.8079 53.1509 41.4656 176.3042 17 G 3.8371 7.6910 107.1384 46.7052 0.0000 175.2040 18 M 4.9294 7.7346 121.8782 57.2200 33.5224 175.9522 19 I 4.6708 7.1976 117.9246 59.3411 41.0303 175.1476 20 S 4.6842 8.6625 121.2008 56.2504 65.9919 171.9190 21 P 4.8092 0.0000 0.0000 62.7593 32.3115 175.3227 22 F 4.9075 8.7047 122.0406 56.2757 42.1099 174.1837 23 V 4.1619 8.4910 127.4334 61.1117 33.4263 175.0388 24 D 4.4697 8.2135 126.1233 52.9732 39.7336 174.9486 25 H 4.5766 6.9327 114.0748 55.0924 31.7358 172.2776 26 K 4.2570 8.5570 120.8273 56.4794 32.5164 175.3834 27 E 4.4414 9.0232 127.8606 54.7104 33.6167 175.5358 28 G 4.2863 8.7965 108.4004 45.8616 0.0000 173.0397 29 T 4.1702 8.1335 114.6410 61.9350 68.5964 175.9063 30 G 3.7902 8.4788 114.4051 44.6281 0.0000 173.1720 31 V 3.6863 8.0501 110.4309 63.4276 32.5250 177.2123 32 L 4.4046 7.4463 122.7884 53.3086 40.2724 175.5986 33 S 4.8666 7.4365 116.2645 57.8486 64.9421 173.1267 34 Y 4.8681 8.2288 118.2244 55.3175 41.2346 173.1326 35 G 3.3788 8.1335 104.1711 44.3222 0.0000 172.7816 36 L 4.2961 7.3467 121.1272 54.8668 42.2574 176.6566 37 S 4.8204 8.7841 119.0120 55.8916 65.7908 174.7613 38 S 4.2308 8.6517 117.8706 61.5438 62.5148 175.5248 39 Y 5.1159 7.6624 116.4715 56.9100 39.1162 174.5544 40 G 4.4002 7.0909 105.5650 46.6564 0.0000 171.7109 41 Y 5.1671 8.9313 120.7228 55.8565 42.0461 174.4656 42 D 5.3101 8.8222 127.5674 53.9457 41.6986 176.0060 43 A 5.3494 9.0846 126.3107 51.3118 21.4164 175.8071 44 R 5.1828 9.5817 118.1454 54.3305 33.3809 175.6834 45 L 4.5239 8.7166 124.5236 55.1242 43.4955 176.4433 46 D 4.6210 8.4658 126.1900 53.2633 43.4428 175.5550 47 N 4.3103 8.0946 115.0634 52.1334 38.6917 173.7545 48 K 4.5457 7.0405 118.3953 54.8735 34.3095 175.4670 49 F 5.1154 9.1201 123.5679 55.4889 43.3091 174.2317 50 K 4.9202 9.2527 121.6952 54.8745 34.4128 175.1092 51 I 4.6148 8.5334 126.7518 59.6088 39.1264 175.2882 52 F 4.7762 8.6307 125.9944 56.9766 40.0351 175.0579 53 A 4.7320 8.5420 122.1926 50.8637 22.4723 175.7679 54 N 4.8173 8.6706 116.2012 53.1158 37.8395 177.1463 55 T 3.7620 8.0192 117.5985 67.2035 68.4289 174.5602 56 H 4.6226 8.0788 115.4182 54.9968 29.4252 175.2104 57 S 3.9568 7.6958 114.5141 59.6386 60.5889 171.8026 58 V 4.2541 6.9725 109.8455 59.4814 32.8422 176.5647 59 V 3.6911 8.2455 124.2406 62.6362 31.7810 175.7092 60 V 3.7548 8.4328 127.7747 62.6197 32.1563 174.3463 61 D 4.8593 8.5309 126.5060 51.7881 41.9637 174.8312 62 P 4.4158 0.0000 0.0000 65.1129 31.5238 177.9944 63 K 4.1827 8.5545 117.0083 58.1182 32.1562 177.0264 64 N 4.8375 8.3680 118.1444 51.5388 39.9266 174.5719 *65 F 4.3541 8.4524 120.6978 56.4301 38.6803 173.4663 66 S 4.8247 8.6059 119.0341 56.8470 65.3350 175.8669 67 Q 3.9071 8.6267 125.0229 57.7297 28.1313 175.2854 68 D 4.5599 7.5681 113.8605 55.3668 41.2008 177.5309 69 S 4.4553 7.8028 115.9161 60.4953 63.2489 173.5019 70 F 4.9780 6.8766 112.3793 55.1367 41.1229 173.9666 71 V 4.3131 8.5001 118.9390 61.0580 34.3748 174.1660 72 D 5.1814 8.6543 126.9372 54.0699 41.9211 175.7316 73 R 4.7556 9.2508 122.6831 54.5337 34.0960 173.2799 74 E 4.9593 9.0439 124.8849 53.9487 31.1519 175.0571 75 G 3.9476 8.1570 112.1988 46.6556 0.0000 172.5527 76 D 4.7606 8.1232 118.1903 56.1559 41.8319 176.2905 77 F 5.1885 6.9706 110.8562 55.7056 41.4938 173.1924 78 C 4.4858 8.5583 118.7212 57.4599 34.9197 172.4052 79 I 4.7507 8.1932 125.3671 59.7837 38.6814 175.0561 80 I 4.1792 8.7676 129.1847 59.6567 38.1498 174.1295 81 P 4.8108 0.0000 0.0000 61.5885 31.3278 174.5540 82 P 4.3445 0.0000 0.0000 63.8813 32.3905 175.6847 83 N 4.5209 8.3881 116.1722 53.2139 37.0737 173.4722 84 S 4.9290 7.4944 112.8678 57.6187 66.6191 171.8006 85 F 5.5568 8.6412 112.3669 56.2152 41.7326 172.6271 86 M 5.2771 9.2189 117.8501 53.8306 36.0186 173.5492 87 L 5.4740 8.9297 124.2728 53.2369 44.4252 175.4103 88 A 4.9003 9.0062 123.7392 50.7761 23.3714 175.1812 89 K 4.8599 8.3390 118.4141 55.1129 34.4278 176.7605 90 T 4.6398 8.7854 113.7504 61.9559 69.0755 174.7790 91 V 3.8582 8.5726 123.7598 66.1844 32.1526 176.7316 92 E 4.4450 8.4401 118.9780 56.3972 30.3058 175.8854 93 Y 4.2325 9.3483 126.0518 56.3067 40.7697 174.0679 94 F 5.2298 8.4205 124.7725 55.7546 42.6406 174.3532 95 N 5.2524 9.2303 120.2090 51.6684 41.3878 173.1737 96 I 4.6824 9.1343 126.2406 59.3071 38.9272 174.8081 97 P 4.6967 0.0000 0.0000 62.4180 31.8645 177.3049 98 R 4.2134 8.5437 117.1070 57.8244 28.7927 176.6797 99 D 5.0634 8.4339 117.0920 53.7857 43.0444 175.0419 100 V 5.0951 7.6416 116.4034 62.3848 35.5524 172.8245 101 M 5.1127 9.1899 126.0278 53.7468 35.9416 173.9354 102 V 4.7876 8.5787 124.5251 61.0843 34.6530 174.2917 103 V 4.6008 8.8774 127.7184 61.2877 34.2637 173.5757 104 C 4.9748 8.5132 126.0000 57.6330 33.5241 173.1919 105 V 4.4849 8.6364 118.8158 59.2206 35.7477 175.5503 106 G 3.9843 8.5240 110.0183 45.9404 0.0000 172.6897 107 K 4.7582 8.3490 118.6540 54.3482 34.2040 178.3244 108 S 4.1507 8.5447 117.7493 61.7188 62.6203 176.8495 109 T 3.7803 7.7749 118.4317 66.7220 68.4552 175.3590 110 Y 4.5603 7.7394 117.5859 60.6389 38.2841 177.5920 111 A 4.4992 8.4683 123.4116 54.4642 18.3111 179.2730 112 R 4.1003 8.0256 111.4329 57.9067 29.7654 176.8456 113 C 4.3910 8.1098 116.0201 59.7968 28.4967 174.4455 114 G 3.9228 8.3359 109.4368 44.8339 0.0000 173.0825 115 I 4.3226 7.5293 121.5979 60.8136 38.5319 174.7993 116 V 4.2992 8.6044 128.4048 61.0939 33.2331 174.7249 117 V 4.1469 8.1735 128.6169 62.1196 31.9251 175.7838 118 N 4.9444 8.8132 128.4167 51.8190 37.5678 172.8234 119 V 4.4582 7.4977 118.9025 60.8461 34.1112 175.7958 120 T 4.2244 8.4194 118.0236 60.2087 69.9352 172.4070 121 P 4.5108 0.0000 0.0000 62.4522 32.4433 176.2150 122 L 3.8461 8.4326 123.6571 54.2285 42.7257 176.7780 123 E 4.5741 8.6540 123.2377 54.8900 31.2822 174.5478 124 P 4.8361 0.0000 0.0000 63.9686 31.7298 177.2795 125 G 4.0186 8.8277 111.0010 44.8512 0.0000 173.7542 126 W 4.1011 8.0838 130.6281 57.4609 31.2656 174.6807 127 S 4.4794 7.8164 118.4846 54.8547 64.7220 173.4895 128 G 3.2959 6.3123 117.0559 44.3743 0.0000 170.6851 129 Y 4.8520 7.5021 117.5979 57.8728 38.7537 176.1039 130 V 4.1444 9.0495 123.7540 62.8601 33.2052 175.0769 131 T 4.7271 8.6188 124.7247 62.9678 69.0717 174.1489 132 L 4.5161 9.6608 128.9398 53.8629 43.6067 175.5651 133 E 5.1324 8.9549 123.9893 54.5960 32.4266 174.2936 134 F 5.2467 9.3069 126.6274 56.1155 41.2683 174.8031 135 S 5.0713 9.1806 121.9075 57.3060 64.3730 173.4270 136 N 4.9516 9.3287 125.5980 53.0189 39.0040 174.8964 137 T 4.5787 8.7927 116.8584 61.8008 69.8256 175.0832 138 S 4.7385 8.4798 118.4551 56.8235 65.2299 173.0147 139 P 4.8725 0.0000 0.0000 63.1802 31.4615 175.5703 140 L 4.9436 7.4459 118.3413 52.2421 44.8590 174.7363 141 P 4.6586 0.0000 0.0000 62.8201 32.4225 176.0139 142 V 4.4285 8.5606 122.5443 60.8986 34.6379 174.2693 143 K 4.6274 8.7621 129.3318 56.1154 33.0459 176.1084 144 V 4.8256 8.8127 120.3097 59.7926 35.5692 174.0851 145 Y 5.0768 9.1297 121.3976 55.9428 39.7038 176.0517 146 A 3.8921 8.8261 128.0737 53.4259 19.0036 177.6220 147 F 3.9981 8.9908 118.9382 58.0657 37.3945 174.5737 148 E 4.9443 7.6914 119.1397 53.7498 33.6028 175.4869 149 G 4.3946 9.2135 108.1539 46.7296 0.0000 173.4991 150 A 5.4851 9.1433 122.6495 52.0126 21.6492 175.2655 151 C 4.7480 7.9216 108.2613 57.8011 32.6655 172.4964 152 Q 5.0891 9.0883 120.7096 54.3455 31.6773 173.8458 153 F 5.0754 9.5346 125.3536 56.1624 41.2083 174.5932 154 L 5.1246 9.0128 123.7465 53.0286 44.4373 175.2600 155 F 5.0204 9.0271 122.2739 55.9779 41.3435 174.4641 156 F 5.0961 9.5459 123.3453 56.0081 41.2980 175.0243 157 S 4.8475 8.8875 117.0775 57.1011 66.7832 174.1081 158 G 3.8916 7.9628 105.9881 46.3763 0.0000 173.9205 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 P 0.00 4.25 0.00 2.08 2.08 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.10 0.00 -1 G 8.87 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 S 9.18 4.55 0.00 3.93 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.52 5.12 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 2 S 8.94 4.85 0.00 3.62 3.61 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 3 V 7.88 3.52 1.76 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 0.61 0.00 0.00 0.12 0.00 0.00 4 M 8.60 4.46 0.00 1.07 1.46 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.03 0.00 5 P 0.00 4.58 0.00 2.01 2.11 0.00 3.64 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 1.84 1.95 0.00 6 D 8.72 4.51 0.00 2.97 3.27 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 7 H 8.17 4.26 0.00 3.47 3.65 0.00 5.65 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 W 7.97 4.02 0.00 3.36 3.34 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 0.00 9 I 8.09 3.40 2.13 0.00 0.00 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 1.35 0.88 0.81 0.00 0.00 10 K 8.51 3.62 0.00 2.06 2.00 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.80 7.81 11 E 7.82 3.83 0.00 2.05 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 2.23 0.00 12 R 7.37 4.02 0.00 1.16 1.46 0.00 2.87 0.00 0.00 2.48 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 13 A 7.33 3.59 0.18 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 14 L 7.47 3.76 0.00 1.47 1.63 0.94 0.83 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 15 K 8.15 4.17 0.00 1.56 1.76 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.49 7.81 16 D 7.66 4.65 0.00 2.65 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 17 G 7.69 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 0.00 0.00 0.00 18 M 7.73 4.93 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.51 0.00 19 I 7.20 4.67 1.62 0.00 0.00 0.58 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 0.63 0.37 0.00 0.00 20 S 8.66 4.68 0.00 3.79 3.61 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 21 P 0.00 4.81 0.00 2.21 2.10 0.00 3.86 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 22 F 8.70 4.91 0.00 3.00 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 23 V 8.49 4.16 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 0.66 0.00 0.00 1.06 0.00 0.00 24 D 8.21 4.47 0.00 2.98 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 25 H 6.93 4.58 0.00 3.11 3.36 0.00 5.46 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.56 4.26 0.00 1.71 1.69 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.64 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.31 7.81 27 E 9.02 4.44 0.00 1.61 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 2.10 2.11 0.00 28 G 8.80 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.13 4.17 4.26 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 1.22 0.00 0.00 30 G 8.48 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 31 V 8.05 3.69 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 0.68 0.00 0.00 0.80 0.00 0.00 32 L 7.45 4.40 0.00 1.88 1.86 0.69 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.44 4.87 0.00 3.96 3.93 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 34 Y 8.23 4.87 0.00 3.39 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 35 G 8.13 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 0.00 0.00 0.00 36 L 7.35 4.30 0.00 1.76 1.54 1.27 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.78 4.82 0.00 3.84 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 38 S 8.65 4.23 0.00 3.96 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 39 Y 7.66 5.12 0.00 2.97 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 40 G 7.09 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.93 5.17 0.00 3.58 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 0.00 42 D 8.82 5.31 0.00 2.76 2.67 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 43 A 9.08 5.35 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 0.00 0.00 0.00 0.00 0.00 44 R 9.58 5.18 0.00 1.78 1.84 0.00 2.76 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.38 0.00 45 L 8.72 4.52 0.00 1.88 1.70 0.70 1.12 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 46 D 8.47 4.62 0.00 2.71 2.41 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 47 N 8.09 4.31 0.00 2.76 2.16 0.00 0.00 5.77 7.07 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 48 K 7.04 4.55 0.00 1.31 1.52 0.00 1.39 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.19 1.28 7.81 49 F 9.12 5.12 0.00 2.82 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 50 K 9.25 4.92 0.00 1.42 1.00 0.00 1.23 0.00 0.00 0.61 0.00 0.00 2.44 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.16 1.18 7.81 51 I 8.53 4.61 1.84 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 1.19 0.69 0.90 0.00 0.00 52 F 8.63 4.78 0.00 2.47 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 53 A 8.54 4.73 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 54 N 8.67 4.82 0.00 2.99 3.09 0.00 0.00 5.99 7.22 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 55 T 8.02 3.76 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 1.02 0.00 0.00 56 H 8.08 4.62 0.00 3.18 3.31 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.70 3.96 0.00 3.99 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 58 V 6.97 4.25 2.13 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 67 Q 8.63 3.91 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.78 0.00 0.00 0.00 0.00 0.00 2.36 1.95 0.00 68 D 7.57 4.56 0.00 2.57 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 69 S 7.80 4.46 0.00 4.29 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 0.00 70 F 6.88 4.98 0.00 2.29 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 71 V 8.50 4.31 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 1.00 0.00 0.00 0.84 0.00 0.00 72 D 8.65 5.18 0.00 2.62 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 73 R 9.25 4.76 0.00 1.82 1.87 0.00 3.33 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 74 E 9.04 4.96 0.00 1.90 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 2.13 2.30 0.00 75 G 8.16 3.95 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 0.00 0.00 0.00 76 D 8.12 4.76 0.00 2.79 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 77 F 6.97 5.19 0.00 2.74 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 78 C 8.56 4.49 0.00 1.23 1.91 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 79 I 8.19 4.75 1.88 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 1.32 0.90 0.90 0.00 0.00 80 I 8.77 4.18 1.89 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 1.20 0.73 0.97 0.00 0.00 81 P 0.00 4.81 0.00 1.96 2.00 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 82 P 0.00 4.34 0.00 2.12 2.21 0.00 3.86 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 83 N 8.39 4.52 0.00 2.87 2.94 0.00 0.00 6.63 8.29 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 84 S 7.49 4.93 0.00 4.11 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 85 F 8.64 5.56 0.00 3.45 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 86 M 9.22 5.28 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.87 0.00 87 L 8.93 5.47 0.00 1.65 1.58 1.11 1.21 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 88 A 9.01 4.90 1.14 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 89 K 8.34 4.86 0.00 1.63 1.71 0.00 1.62 0.00 0.00 1.92 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.47 7.81 90 T 8.79 4.64 4.67 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 1.63 0.00 0.00 91 V 8.57 3.86 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 0.86 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 1.39 0.00 0.00 1.37 0.00 0.00 101 M 9.19 5.11 0.00 2.10 1.81 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.33 0.00 102 V 8.58 4.79 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 0.40 0.00 0.00 0.87 0.00 0.00 103 V 8.88 4.60 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 0.91 0.00 0.00 0.85 0.00 0.00 104 C 8.51 4.97 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 0.00 105 V 8.64 4.48 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 0.71 0.00 0.00 0.95 0.00 0.00 106 G 8.52 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 0.00 0.00 0.00 107 K 8.35 4.76 0.00 1.83 1.69 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.40 7.81 108 S 8.54 4.15 0.00 4.02 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 0.00 109 T 7.77 3.78 3.93 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 0.96 0.00 0.00 110 Y 7.74 4.56 0.00 2.92 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 0.00 111 A 8.47 4.50 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 0.00 112 R 8.03 4.10 0.00 1.94 2.06 0.00 3.04 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 113 C 8.11 4.39 0.00 3.23 3.05 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 0.00 0.00 0.00 114 G 8.34 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 0.00 115 I 7.53 4.32 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 1.34 1.50 0.33 0.00 0.00 116 V 8.60 4.30 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 0.75 0.00 0.00 0.88 0.00 0.00 117 V 8.17 4.15 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 0.79 0.00 0.00 0.47 0.00 0.00 118 N 8.81 4.94 0.00 2.63 2.73 0.00 0.00 6.98 8.24 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 0.00 119 V 7.50 4.46 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 0.88 0.00 0.00 1.03 0.00 0.00 120 T 8.42 4.22 4.16 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 1.15 0.00 0.00 121 P 0.00 4.51 0.00 1.84 1.97 0.00 3.58 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.01 0.00 122 L 8.43 3.85 0.00 1.34 1.14 0.10 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.65 4.57 0.00 1.98 1.91 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 2.37 2.31 0.00 124 P 0.00 4.84 0.00 2.09 2.12 0.00 3.77 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 125 G 8.83 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 0.00 126 W 8.08 4.10 0.00 3.57 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 7.82 4.48 0.00 3.64 3.37 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 0.00 128 G 6.31 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 0.00 0.00 0.00 129 Y 7.50 4.85 0.00 3.05 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 0.00 130 V 9.05 4.14 2.28 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 1.10 0.00 0.00 0.34 0.00 0.00 131 T 8.62 4.73 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 1.27 0.00 0.00 132 L 9.66 4.52 0.00 1.46 1.64 0.97 0.73 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 0.00 133 E 8.95 5.13 0.00 2.04 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 2.51 2.20 0.00 134 F 9.31 5.25 0.00 2.90 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 0.00 135 S 9.18 5.07 0.00 3.69 3.77 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 N 9.33 4.95 0.00 2.87 2.99 0.00 0.00 6.47 7.37 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 0.00 137 T 8.79 4.58 4.23 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 1.22 0.00 0.00 138 S 8.48 4.74 0.00 3.93 4.15 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 0.00 139 P 0.00 4.87 0.00 2.21 2.19 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 140 L 7.45 4.94 0.00 1.54 1.58 0.93 1.05 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 0.00 141 P 0.00 4.66 0.00 1.93 1.98 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 142 V 8.56 4.43 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 0.93 0.00 0.00 1.06 0.00 0.00 143 K 8.76 4.63 0.00 1.65 1.59 0.00 1.18 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.64 1.01 7.81 144 V 8.81 4.83 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 0.65 0.00 0.00 0.73 0.00 0.00 145 Y 9.13 5.08 0.00 3.03 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 0.00 146 A 8.83 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 F 8.99 4.00 0.00 3.30 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 0.00 148 E 7.69 4.94 0.00 2.20 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 2.37 2.62 0.00 149 G 9.21 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 0.00 0.00 0.00 0.00 150 A 9.14 5.49 1.57 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 0.00 0.00 151 C 7.92 4.75 0.00 2.99 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 0.00 152 Q 9.09 5.09 0.00 2.20 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 153 F 9.53 5.08 0.00 3.18 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 0.00 154 L 9.01 5.12 0.00 1.61 1.54 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 155 F 9.03 5.02 0.00 3.15 3.27 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 0.00 156 F 9.55 5.10 0.00 3.02 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 0.00 157 S 8.89 4.85 0.00 3.57 3.18 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 0.00 158 G 7.96 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 * Residues marked with a * may have inaccurate shift predictions.