NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.4644 8.1693 122.4882 53.9891 43.0348 176.4068 4 P 4.3136 0.0000 0.0000 60.7564 32.0462 175.3170 5 T 4.1237 9.0795 114.4613 61.1209 71.7538 176.6159 6 A 4.0013 8.4648 122.2271 55.5661 18.2608 179.7876 7 Q 3.9270 7.9853 115.8625 59.2361 28.7748 178.8072 8 E 3.9007 8.1041 119.5533 59.1306 29.3210 179.5120 9 V 3.1076 8.1309 118.7326 65.9065 31.5778 177.9078 10 Q 4.0669 8.0870 117.8307 59.1057 28.5968 179.4469 11 G 3.5579 7.9873 106.4621 47.7612 0.0000 175.8105 12 L 3.9797 8.0646 121.9333 57.8067 41.7209 179.5841 13 M 4.1701 8.4406 118.8159 58.1745 31.9060 178.6779 14 A 4.0272 8.1338 121.1461 55.1548 18.4588 179.7025 15 R 3.8507 8.2314 117.3232 59.3874 30.0313 177.9001 16 Y 3.9917 8.2665 119.7340 60.9444 38.6590 178.4677 17 I 3.4207 7.7229 120.0586 64.3177 37.1553 178.2668 18 E 3.9231 8.2366 119.4291 59.3840 29.1439 179.4698 19 L 3.9394 8.0798 119.3572 57.4495 41.4067 179.6379 20 V 3.3745 7.3281 117.7405 65.8963 31.5120 177.1865 21 D 4.4243 8.0542 117.0020 57.3915 41.1314 178.1951 22 V 3.9463 7.6917 111.3801 61.6220 31.8588 176.8078 23 G 3.7436 8.2651 106.5439 46.4034 0.0000 174.4389 24 D 4.5616 7.8042 120.4772 52.2973 40.2301 175.4424 25 I 3.6482 8.0102 126.6315 64.3130 37.4347 177.6207 26 E 3.9681 8.2205 118.4380 59.2507 29.1005 179.1455 27 A 4.0427 8.0989 120.2951 54.9088 18.7112 179.5046 28 I 3.7242 7.8590 118.5300 64.6187 37.1855 178.8122 29 V 3.8143 8.0739 119.3555 66.1070 31.1081 177.7595 30 Q 4.1357 8.0382 118.2485 58.9855 29.1696 177.6980 31 M 4.2148 8.1675 119.5989 56.9564 32.0106 175.8427 32 Y 4.6465 7.2909 116.1739 56.4476 39.5372 175.3830 33 A 4.2885 8.8204 126.4187 51.9835 19.3425 178.7616 34 D 4.5041 8.8574 119.8710 55.6290 39.5346 177.4863 35 D 4.8103 7.8468 117.8259 52.6112 39.9408 175.8737 36 A 4.5750 7.9205 121.6748 53.2421 19.9704 177.3056 37 T 5.0073 8.6509 108.8226 59.8475 72.3040 173.2760 38 V 4.7792 8.3140 122.4144 61.1660 34.8191 173.9680 39 E 4.6348 9.1092 127.6533 54.8478 31.8161 175.2840 40 N 5.0954 8.2563 124.9746 51.8157 40.9003 172.0938 41 P 4.4846 0.0000 0.0000 61.7255 33.1410 175.4285 42 F 3.9906 8.4589 124.4767 59.7605 38.9831 174.8876 43 G 3.5754 7.7704 113.3677 45.4901 0.0000 173.8069 44 Q 4.3418 7.1294 117.8547 53.3522 30.3959 173.7900 45 P 4.2784 0.0000 0.0000 61.9619 31.9330 175.0251 46 P 4.6533 0.0000 0.0000 62.7252 32.2705 175.5880 47 I 4.5654 8.3895 116.1233 59.6297 40.2857 174.0657 48 H 5.1204 9.1029 120.9642 55.2278 31.2926 174.8605 49 G 4.1298 9.2551 108.0541 45.8845 0.0000 174.4668 50 R 3.8762 8.4879 118.9652 59.0294 29.9491 179.2679 51 E 3.9541 8.1344 118.6029 59.4277 29.7394 178.7589 52 Q 4.0275 8.0136 117.5530 59.0549 28.8624 178.7036 53 I 3.6978 8.0587 120.8263 64.2360 37.0163 178.2571 54 A 4.1535 8.5969 121.8888 55.2611 18.2316 179.5484 55 A 3.9668 8.1556 119.2655 55.1130 18.4323 179.5788 56 F 3.9459 8.4223 119.1795 61.8330 39.4957 177.1039 57 Y 3.8807 8.2750 116.2790 60.8163 37.3930 178.3545 58 R 3.9664 8.2424 119.4534 59.5016 30.2696 178.3046 59 Q 4.1767 7.9812 117.1251 58.8052 28.7549 178.5388 60 G 3.5272 7.5601 105.6442 45.0898 0.0000 173.9200 61 L 4.6167 7.6928 120.5687 52.4288 44.2652 176.1156 *65 K 4.0834 8.4647 121.6682 56.2425 33.1774 175.2834 66 V 4.7453 8.2338 122.4633 61.1621 34.7338 174.5636 67 R 5.0307 8.8445 124.8725 54.5182 33.8842 174.5142 68 A 5.3794 9.3896 123.5107 50.7766 22.4689 175.3965 69 C 4.8576 9.1506 115.8099 56.2734 33.5966 173.6120 70 L 4.7163 8.7277 121.0601 55.2245 41.8677 177.0579 71 T 4.4974 8.3719 112.0220 60.5809 69.0467 173.5161 72 G 3.9668 7.3831 109.8056 44.8495 0.0000 171.5218 73 P 4.4261 0.0000 0.0000 62.1585 31.8539 176.3384 74 V 3.8697 8.2072 120.1762 63.3021 32.4448 175.3627 75 R 4.5696 9.2080 127.2273 54.8248 31.4605 175.1818 76 A 5.1960 8.5728 125.9302 50.2977 21.7077 175.4906 77 S 4.5717 8.7544 114.9346 56.8000 65.9010 173.6298 78 H 4.8741 8.5440 114.3034 55.6705 28.4046 175.3092 79 N 4.9793 7.8537 117.0048 52.7285 37.5629 174.9568 80 G 3.9444 8.5491 103.7946 47.6248 0.0000 173.1157 81 C 5.4737 7.5658 115.7345 58.0212 32.8608 172.7304 82 G 4.4459 8.7472 105.9873 46.0442 0.0000 171.9850 83 A 5.5254 9.1023 121.1189 50.5996 23.0261 175.2512 84 M 5.2246 9.1667 117.1439 53.3573 35.3102 171.8762 85 P 5.5278 0.0000 0.0000 61.7584 34.0418 174.1208 86 F 5.4841 8.8086 116.7110 56.1198 42.2425 172.5106 87 R 4.9104 9.1757 119.0172 54.4476 33.2080 173.9170 88 V 4.9545 8.7827 126.1594 61.2048 34.2579 173.7970 89 E 5.2612 9.3244 127.9521 54.9543 32.1973 175.0940 90 M 5.1092 8.9484 120.5171 54.1650 35.7892 173.3224 91 V 4.6788 8.3808 118.0612 60.8814 33.2251 174.5087 92 W 4.8560 9.8552 135.0000 57.3440 33.5122 174.9416 93 N 3.9255 9.6754 122.5487 54.9063 34.9990 174.5381 94 G 3.8206 7.7298 103.4316 46.2435 0.0000 171.7465 95 Q 4.6046 8.9292 120.1681 53.1668 30.0625 173.5434 96 P 4.8594 0.0000 0.0000 63.5385 32.1276 175.1398 97 C 5.0595 9.6047 116.0021 57.1796 33.9470 172.1779 98 A 5.1479 9.1725 120.1641 50.0003 22.5174 174.8452 99 L 4.9640 8.8657 122.2472 53.2760 45.1247 175.0850 100 D 5.0098 8.6623 126.7800 53.6751 41.8402 176.2139 101 V 4.6671 8.4205 122.2099 61.1502 35.8893 173.7710 102 I 5.0688 8.6547 125.9574 59.7437 39.7070 174.1231 103 D 5.5363 9.2636 127.1105 52.8557 43.2807 175.5031 104 V 4.8742 9.0041 123.3204 61.4620 33.9584 174.2279 105 M 5.1245 9.1446 127.2248 53.3781 36.0231 174.3821 106 R 4.8421 8.4537 122.2685 54.6629 32.6521 174.7589 107 F 5.0816 9.3221 125.8132 56.3009 41.1892 175.4988 108 D 4.8331 8.8042 121.6066 51.8814 41.3834 176.8962 109 E 4.0741 8.6355 117.2136 58.6283 29.3358 177.4103 110 H 4.7234 8.7957 115.4939 55.2846 29.2473 175.1987 111 G 3.9429 8.6401 107.8640 45.7089 0.0000 173.7866 112 R 4.7792 7.9708 117.8981 54.0594 32.3408 175.5082 113 I 3.3663 8.5162 122.5673 61.5401 37.4326 176.6603 114 Q 4.2767 9.1552 130.3405 58.2316 30.4825 175.7377 115 T 5.2022 7.5722 107.6827 59.9923 72.6313 172.4469 116 M 5.1047 8.9310 123.9257 53.8755 35.3742 174.1112 117 Q 4.9558 9.2504 124.4437 54.1685 32.7348 174.1765 118 A 5.4086 9.0386 127.3901 49.9231 20.9702 175.1216 119 Y 4.6971 9.4660 121.7680 57.9199 39.1066 175.3120 120 W 4.9631 8.1297 119.6953 56.6901 30.7307 173.5457 121 S 4.4565 8.9268 114.9474 56.8043 65.8138 174.3004 122 E 4.2686 8.8963 116.8736 59.5902 29.1567 179.1451 123 V 3.6490 7.9406 117.9090 65.2855 31.8163 175.6684 124 N 4.8859 8.7470 116.2616 53.0869 39.5848 173.9972 125 L 5.0223 7.9154 121.7336 53.7224 44.0077 175.9494 126 S 4.6544 9.0989 121.1847 56.7967 66.3782 174.6032 127 V 3.9825 8.5236 123.5581 62.9564 31.3757 175.2487 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 3 L 8.17 4.46 0.00 1.60 1.66 1.00 0.66 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 4 P 0.00 4.31 0.00 2.11 1.78 0.00 3.85 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.58 0.00 5 T 9.08 4.12 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 1.24 0.00 0.00 6 A 8.46 4.00 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 7 Q 7.99 3.93 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 8 E 8.10 3.90 0.00 2.13 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 9 V 8.13 3.11 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 1.14 0.00 0.00 0.82 0.00 0.00 10 Q 8.09 4.07 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 11 G 7.99 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 0.00 0.00 0.00 12 L 8.06 3.98 0.00 1.20 1.57 0.27 0.81 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 13 M 8.44 4.17 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.76 0.00 14 A 8.13 4.03 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 15 R 8.23 3.85 0.00 1.89 1.94 0.00 3.10 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 16 Y 8.27 3.99 0.00 3.08 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 17 I 7.72 3.42 1.95 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.70 0.85 0.00 0.00 18 E 8.24 3.92 0.00 2.09 1.96 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 2.47 2.47 0.00 19 L 8.08 3.94 0.00 1.57 1.55 0.87 1.03 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 20 V 7.33 3.37 1.90 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 0.79 0.00 0.00 0.31 0.00 0.00 21 D 8.05 4.42 0.00 2.84 2.82 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 22 V 7.69 3.95 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 0.75 0.00 0.00 0.97 0.00 0.00 23 G 8.27 3.74 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 0.00 0.00 0.00 24 D 7.80 4.56 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.01 3.65 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.85 0.98 0.00 0.00 26 E 8.22 3.97 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 27 A 8.10 4.04 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 28 I 7.86 3.72 1.74 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.60 0.34 0.00 0.00 29 V 8.07 3.81 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 1.06 0.00 0.00 1.02 0.00 0.00 30 Q 8.04 4.14 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 31 M 8.17 4.21 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.60 0.00 32 Y 7.29 4.65 0.00 3.22 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 33 A 8.82 4.29 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.86 4.50 0.00 2.86 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 35 D 7.85 4.81 0.00 2.80 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 36 A 7.92 4.57 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.65 5.01 4.08 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 1.00 0.00 0.00 38 V 8.31 4.78 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.72 0.00 0.00 39 E 9.11 4.63 0.00 1.96 1.77 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 2.10 2.14 0.00 40 N 8.26 5.10 0.00 2.63 2.41 0.00 0.00 7.27 7.69 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 41 P 0.00 4.48 0.00 1.37 0.49 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.00 0.00 42 F 8.46 3.99 0.00 2.32 2.34 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 43 G 7.77 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.13 4.34 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.10 2.28 0.00 45 P 0.00 4.28 0.00 1.97 1.92 0.00 3.59 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 46 P 0.00 4.65 0.00 1.76 1.85 0.00 3.59 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 47 I 8.39 4.57 1.90 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 1.08 0.65 0.82 0.00 0.00 48 H 9.10 5.12 0.00 3.00 3.22 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.26 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.49 3.88 0.00 1.91 2.03 0.00 3.18 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 51 E 8.13 3.95 0.00 2.05 1.96 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 2.40 2.42 0.00 52 Q 8.01 4.03 0.00 2.38 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 53 I 8.06 3.70 1.75 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.78 0.66 0.00 0.00 54 A 8.60 4.15 1.43 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 0.00 0.00 55 A 8.16 3.97 1.43 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 0.00 0.00 56 F 8.42 3.95 0.00 3.10 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 57 Y 8.28 3.88 0.00 3.16 3.02 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 58 R 8.24 3.97 0.00 2.00 1.97 0.00 3.29 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 59 Q 7.98 4.18 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 60 G 7.56 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.69 4.62 0.00 1.65 1.57 1.03 0.90 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 *65 K 8.46 4.08 0.00 1.78 1.80 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 66 V 8.23 4.75 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 0.87 0.00 0.00 0.92 0.00 0.00 67 R 8.84 5.03 0.00 1.79 1.78 0.00 3.15 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 68 A 9.39 5.38 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 69 C 9.15 4.86 0.00 3.01 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.73 4.72 0.00 1.60 1.87 0.94 0.94 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 71 T 8.37 4.50 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 1.28 0.00 0.00 72 G 7.38 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 0.00 0.00 0.00 73 P 0.00 4.43 0.00 2.20 2.08 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 74 V 8.21 3.87 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 0.81 0.00 0.00 0.96 0.00 0.00 75 R 9.21 4.57 0.00 1.94 1.83 0.00 3.30 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 76 A 8.57 5.20 1.16 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 0.00 0.00 77 S 8.75 4.57 0.00 3.81 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 78 H 8.54 4.87 0.00 3.18 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.85 4.98 0.00 2.81 2.86 0.00 0.00 6.87 6.48 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 80 G 8.55 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 7.57 5.47 0.00 2.86 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 82 G 8.75 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 0.00 0.00 0.00 0.00 83 A 9.10 5.53 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 M 9.17 5.22 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 85 P 0.00 5.53 0.00 2.18 2.24 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.98 0.00 86 F 8.81 5.48 0.00 3.24 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 87 R 9.18 4.91 0.00 1.86 1.80 0.00 3.05 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 88 V 8.78 4.95 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 0.89 0.00 0.00 1.12 0.00 0.00 89 E 9.32 5.26 0.00 1.90 1.82 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 2.23 2.22 0.00 90 M 8.95 5.11 0.00 1.95 2.12 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 2.41 2.61 0.00 91 V 8.38 4.68 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 0.95 0.00 0.00 92 W 9.86 4.86 0.00 3.15 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 93 N 9.68 3.93 0.00 2.12 2.56 0.00 0.00 7.08 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.73 3.82 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 0.00 95 Q 8.93 4.60 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 96 P 0.00 4.86 0.00 2.10 2.08 0.00 3.76 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 2.01 1.99 0.00 97 C 9.60 5.06 0.00 3.04 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 98 A 9.17 5.15 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 99 L 8.87 4.96 0.00 1.35 1.17 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.66 5.01 0.00 2.58 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.42 4.67 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 0.00 0.00 1.25 0.00 0.00 0.48 0.00 0.00 102 I 8.65 5.07 1.92 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 1.27 0.57 0.95 0.00 0.00 103 D 9.26 5.54 0.00 2.83 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 9.00 4.87 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.91 0.00 0.00 105 M 9.14 5.12 0.00 1.26 1.77 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.06 0.00 106 R 8.45 4.84 0.00 1.83 1.69 0.00 3.09 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 107 F 9.32 5.08 0.00 2.99 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 0.00 108 D 8.80 4.83 0.00 2.91 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 0.00 109 E 8.64 4.07 0.00 1.79 1.96 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 2.29 2.37 0.00 110 H 8.80 4.72 0.00 3.23 3.31 0.00 5.69 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 0.00 111 G 8.64 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.97 4.78 0.00 2.25 1.89 0.00 3.53 0.00 0.00 3.40 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 113 I 8.52 3.37 1.07 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.27 0.48 0.00 0.00 114 Q 9.16 4.28 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 115 T 7.57 5.20 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 1.20 0.00 0.00 116 M 8.93 5.10 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.66 0.00 117 Q 9.25 4.96 0.00 1.97 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.51 2.30 0.00 118 A 9.04 5.41 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.47 4.70 0.00 3.06 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 0.00 120 W 8.13 4.96 0.00 3.32 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 0.00 121 S 8.93 4.46 0.00 3.93 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.90 4.27 0.00 2.20 2.33 0.00 0.00 0.00 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 2.29 0.00 123 V 7.94 3.65 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 0.85 0.00 0.00 0.96 0.00 0.00 124 N 8.75 4.89 0.00 2.99 3.01 0.00 0.00 6.37 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.92 5.02 0.00 1.58 1.71 0.81 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 126 S 9.10 4.65 0.00 3.73 3.72 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 0.00 127 V 8.52 3.98 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 0.89 0.00 0.00 1.19 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.