NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.6141 8.2644 122.4785 51.7645 20.6213 175.3620 2 W 4.9343 9.1904 128.3175 54.8494 34.0260 172.0133 3 K 4.4751 7.7829 127.4957 54.5968 35.2845 175.0134 4 G 3.3533 6.8384 110.5804 45.9590 0.0000 171.1594 5 E 5.2562 9.0637 119.8006 54.3068 32.9666 176.4613 6 V 4.4440 9.0439 125.9635 60.9727 33.9074 174.5622 7 L 4.4269 8.4799 128.5663 54.2821 42.2089 178.5997 8 A 3.2548 8.3339 126.6977 54.5720 18.3211 178.0994 9 N 4.9194 7.9286 110.6211 52.9519 37.7391 175.0212 10 N 4.6198 7.8343 118.8328 52.4007 37.8367 174.0154 11 E 2.9185 8.4111 126.3951 58.3331 30.0593 178.0908 12 A 3.8884 7.7908 120.6268 53.3162 18.6934 178.3192 13 G 3.8740 7.8370 100.5395 45.2953 0.0000 173.2028 14 Q 4.3378 8.8402 121.9436 54.4335 29.6211 174.8040 15 V 3.9808 8.2604 127.7359 63.0234 32.2154 175.7753 16 T 3.8412 8.0345 119.2196 59.9253 70.4637 174.8358 17 S 4.2832 8.0120 114.4753 59.5031 63.7994 174.1295 18 I 3.9206 7.3988 123.5066 61.3964 37.7404 175.2888 19 I 4.5893 8.2622 129.3556 59.8916 37.9498 175.2670 20 Y 4.0941 9.0763 130.7544 57.6931 39.5474 174.2799 21 N 5.1198 8.9496 124.6824 50.3392 41.7978 172.9718 22 P 4.2137 0.0000 0.0000 64.6353 31.7976 176.8230 23 G 3.9883 8.8478 110.9946 45.4247 0.0000 173.6727 24 D 4.3285 7.3903 119.2996 54.4961 41.4388 175.6706 25 V 4.8719 8.3221 122.3788 61.1187 34.2307 174.2270 26 I 5.2621 9.0847 120.6338 59.4715 41.3524 174.2564 27 T 5.1440 8.9387 120.2572 61.9232 71.9318 172.9390 28 I 5.0683 8.8223 126.5299 59.4282 40.7900 174.5852 29 V 4.7932 8.8167 125.9934 60.9764 34.2190 173.8452 30 A 5.2615 8.9434 129.6361 50.1135 21.2418 175.0180 31 A 4.4498 9.4263 123.1747 50.4451 23.6830 174.7604 32 G 4.1564 7.5478 103.6455 43.6245 0.0000 172.3607 33 W 6.0107 8.7499 117.7257 55.1610 33.1301 174.6830 34 A 4.8168 9.7326 125.1685 50.6965 22.8767 174.5782 35 S 5.3842 9.3946 113.8360 56.6868 65.9949 173.9854 36 Y 5.1460 8.6062 122.5427 55.6775 38.1668 176.8882 37 G 4.6427 7.4044 118.5770 46.6850 0.0000 171.9153 38 P 4.3968 0.0000 0.0000 61.9097 31.9154 176.9888 39 T 3.9425 8.2299 109.9344 64.1861 69.1298 175.0890 40 Q 3.8796 7.6463 122.1505 55.6962 29.6896 174.6209 41 K 4.8453 7.3157 119.8656 54.3940 36.2303 175.4647 42 W 5.2531 9.8212 121.7373 54.9895 33.7727 175.8804 43 G 4.4052 8.8874 109.0602 44.7293 0.0000 172.3640 44 P 3.5798 0.0000 0.0000 64.2547 31.1320 177.6420 45 Q 4.3234 7.3955 116.5193 55.3240 29.6006 177.6139 46 G 3.8051 8.0267 106.9069 45.2899 0.0000 172.5700 47 D 4.3332 8.0791 122.3277 52.1778 41.0866 178.3613 48 R 2.0000 8.0437 123.5481 57.1095 29.7188 177.0785 49 E 4.2417 7.9682 117.1895 56.8443 30.3169 175.6204 50 H 4.4592 7.3995 119.9790 54.5123 30.5454 173.1531 51 P 4.3684 0.0000 0.0000 62.0849 31.9344 175.4159 52 D 4.4619 8.4359 119.2539 54.1978 40.8267 176.2189 53 Q 4.4262 8.3604 126.0395 56.2572 28.9893 176.2090 54 G 4.3162 8.4857 105.9627 46.1267 0.0000 174.7360 55 L 4.2690 8.3156 118.8706 53.9085 42.4019 178.3559 56 I 3.7038 7.9916 114.8836 63.1238 37.4375 175.6966 57 C 4.6290 8.1111 120.3545 56.3641 32.9271 173.9987 58 H 4.5689 8.5840 124.1267 57.4787 28.5778 176.0165 59 D 4.6541 7.9182 117.7303 53.7190 40.8188 175.4879 60 A 4.4005 7.2200 120.6798 50.0668 22.6022 176.7260 61 F 4.5054 7.9090 117.8007 56.9476 39.8584 174.9741 62 C 4.0547 8.3513 123.3501 61.0406 31.5239 174.6043 63 G 3.5867 8.5849 115.7677 44.1397 0.0000 173.1632 64 A 4.4532 7.4212 121.7032 51.1639 20.3945 176.5037 65 L 4.6651 8.6782 122.3915 54.9625 43.4896 176.3940 66 V 5.1755 8.9407 119.0072 60.0146 36.5325 173.7839 67 M 5.2467 8.8372 117.3471 54.3795 35.0174 173.9489 68 K 4.8497 8.8875 118.4175 54.6492 36.2216 175.5084 69 I 4.6591 8.3823 124.0396 59.0782 39.1536 176.0917 70 G 3.8090 8.9276 118.4850 46.4569 0.0000 173.5872 71 N 4.9117 8.6860 118.5050 52.5571 38.8356 174.9129 72 S 4.3163 7.7623 113.1252 57.7063 63.7073 173.6171 73 G 3.8807 8.2030 110.6989 44.9160 0.0000 173.1109 74 T 4.3425 8.1781 109.1302 61.6743 70.2717 173.5790 75 I 4.7711 8.7269 124.7543 58.7032 40.5284 173.3303 76 P 4.3911 0.0000 0.0000 62.9669 31.7019 175.8101 77 V 3.9231 8.3499 121.9891 63.8851 33.9847 176.0914 78 N 4.1704 7.7160 116.9736 54.8491 37.4317 178.0739 79 T 3.8266 8.3430 118.3536 63.6239 69.1046 174.6142 80 G 4.3247 5.9988 108.4404 43.9904 0.0000 171.8908 81 L 4.6608 8.2269 119.1279 52.6865 45.0189 175.7298 82 F 4.8334 8.9488 124.7730 57.2154 40.8683 175.7133 83 R 4.0229 8.2672 129.5367 55.6581 27.9413 176.1358 84 W 4.7218 8.8668 127.8319 55.5872 32.7701 174.6410 85 V 4.4135 7.3582 124.1447 60.6377 34.1505 174.9504 86 A 3.4047 7.2415 134.6881 51.0654 17.2203 179.8169 *90 V 3.9214 8.2856 118.2343 65.2546 31.8108 174.0746 91 Q 4.7938 8.3490 122.3821 55.7486 31.1483 171.9600 92 G 3.7241 8.8482 104.1903 43.4337 0.0000 172.8785 93 A 4.5356 8.5392 120.5299 52.2028 19.6673 177.0446 94 I 4.4477 8.7708 123.6247 61.1177 38.6922 175.0141 95 T 4.7752 9.0280 124.5986 61.7794 70.8548 173.4812 96 L 4.9561 8.6977 127.0731 53.5849 43.8485 175.8499 97 I 5.0280 8.8141 123.6694 59.4861 41.7662 174.0407 98 Y 4.6542 8.9395 128.0648 57.7756 40.2589 174.1568 99 N 4.7667 8.8029 126.5419 53.3872 40.0060 173.0851 100 D 4.7085 8.2486 124.9968 52.5982 45.9423 173.6001 101 V 4.4425 8.0124 120.0765 60.9087 32.6140 173.6922 102 P 4.7111 0.0000 0.0000 64.3885 31.6548 176.8971 103 G 4.0284 9.5025 110.2068 46.1516 0.0000 174.0451 104 T 4.6100 7.9824 108.7723 61.5978 69.2230 175.6304 105 Y 4.0925 8.2554 120.7838 60.1895 38.3445 177.8590 106 G 3.7105 7.6484 109.4274 47.9796 0.0000 174.0571 107 N 4.7364 8.0323 114.7544 52.5905 37.8629 174.8582 108 N 4.8046 8.0078 117.6762 53.6871 39.4875 173.9490 109 S 4.4487 8.8871 113.8426 58.4045 66.3564 175.4050 110 G 3.7335 9.4912 110.1642 45.5770 0.0000 171.9237 111 S 4.4955 7.5946 111.8381 57.7423 66.3843 174.2536 112 F 5.4226 8.4511 118.9329 55.9115 41.5770 174.9603 113 S 5.0404 8.9982 118.2964 57.4380 63.9279 172.9721 114 V 4.9651 8.8787 126.5457 61.3120 35.0873 173.5232 115 N 5.6248 9.2096 124.8825 51.6647 41.3426 173.7663 116 I 5.1917 9.3670 123.7487 59.5781 40.9559 174.8229 117 G 4.5224 9.3551 113.1873 44.2734 0.0000 171.4984 118 K 4.8617 8.6288 121.0096 55.6626 33.2264 176.8019 119 D 4.7746 9.2612 125.3067 52.8675 43.0170 176.0404 120 Q 4.2360 8.4828 119.0962 56.6759 29.2725 177.3237 121 S 4.1452 8.3014 115.1112 58.7856 62.8650 173.8130 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.26 4.61 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 2 W 9.19 4.93 0.00 3.37 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 3 K 7.78 4.48 0.00 1.64 1.30 0.00 1.93 0.00 0.00 1.58 0.00 0.00 2.66 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.03 1.39 7.81 4 G 6.84 3.35 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 0.00 5 E 9.06 5.26 0.00 1.95 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 2.20 2.28 0.00 6 V 9.04 4.44 2.31 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 1.09 0.00 0.00 1.17 0.00 0.00 7 L 8.48 4.43 0.00 1.69 1.69 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.33 3.25 0.50 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 0.00 0.00 0.00 0.00 0.00 0.00 9 N 7.93 4.92 0.00 3.00 3.10 0.00 0.00 5.92 8.04 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 10 N 7.83 4.62 0.00 2.74 2.98 0.00 0.00 7.05 7.53 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 11 E 8.41 2.92 0.00 1.51 1.68 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 1.84 1.47 0.00 12 A 7.79 3.89 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 13 G 7.84 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 0.00 0.00 0.00 14 Q 8.84 4.34 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.95 0.00 0.00 0.00 0.00 0.00 2.83 2.46 0.00 15 V 8.26 3.98 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 0.78 0.00 0.00 0.89 0.00 0.00 16 T 8.03 3.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 17 S 8.01 4.28 0.00 4.09 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 0.00 18 I 7.40 3.92 1.82 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.99 0.99 0.00 0.00 19 I 8.26 4.59 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 1.23 0.78 0.94 0.00 0.00 20 Y 9.08 4.09 0.00 3.19 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 21 N 8.95 5.12 0.00 2.50 2.54 0.00 0.00 6.55 7.95 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 22 P 0.00 4.21 0.00 1.98 1.99 0.00 3.59 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 23 G 8.85 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 24 D 7.39 4.33 0.00 1.79 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 25 V 8.32 4.87 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.97 0.00 0.00 26 I 9.08 5.26 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.99 1.22 0.00 0.00 27 T 8.94 5.14 4.22 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 0.00 0.00 1.34 0.00 0.00 28 I 8.82 5.07 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.65 0.91 0.00 0.00 29 V 8.82 4.79 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 1.03 0.00 0.00 0.98 0.00 0.00 30 A 8.94 5.26 1.09 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 31 A 9.43 4.45 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 32 G 7.55 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 0.00 0.00 0.00 0.00 33 W 8.75 6.01 0.00 3.28 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 34 A 9.73 4.82 0.77 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 0.00 0.00 35 S 9.39 5.38 0.00 4.10 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 8.61 5.15 0.00 3.27 3.17 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 37 G 7.40 4.64 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 38 P 0.00 4.40 0.00 2.23 2.08 0.00 2.74 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.98 0.00 39 T 8.23 3.94 4.17 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 1.17 0.00 0.00 40 Q 7.65 3.88 0.00 1.78 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.67 0.00 41 K 7.32 4.85 0.00 1.44 1.81 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.34 7.81 42 W 9.82 5.25 0.00 3.61 3.32 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 43 G 8.89 4.41 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 0.00 44 P 0.00 3.58 0.00 1.85 1.03 0.00 3.33 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 1.70 1.50 0.00 45 Q 7.40 4.32 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.89 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 46 G 8.03 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.08 4.33 0.00 1.58 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 0.00 0.00 0.00 48 R 8.04 2.00 0.00 1.27 1.30 0.00 3.03 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 49 E 7.97 4.24 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 2.24 2.18 0.00 50 H 7.40 4.46 0.00 2.91 2.88 0.00 5.94 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.37 0.00 2.14 1.96 0.00 3.32 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 52 D 8.44 4.46 0.00 2.69 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 53 Q 8.36 4.43 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.35 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 54 G 8.49 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 0.00 0.00 0.00 0.00 55 L 8.32 4.27 0.00 1.52 1.71 0.87 0.52 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 56 I 7.99 3.70 1.88 0.00 0.00 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 1.26 0.64 1.03 0.00 0.00 57 C 8.11 4.63 0.00 2.87 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 58 H 8.58 4.57 0.00 3.17 3.30 0.00 5.79 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 7.92 4.65 0.00 2.57 2.60 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 60 A 7.22 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 7.91 4.51 0.00 3.23 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 62 C 8.35 4.05 0.00 2.64 2.23 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 63 G 8.58 3.59 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 0.00 0.00 0.00 64 A 7.42 4.45 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 65 L 8.68 4.67 0.00 1.70 1.57 1.17 1.11 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 66 V 8.94 5.18 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 0.66 0.00 0.00 1.00 0.00 0.00 67 M 8.84 5.25 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 68 K 8.89 4.85 0.00 1.66 1.68 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.34 7.81 69 I 8.38 4.66 1.88 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 1.12 0.64 1.11 0.00 0.00 70 G 8.93 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.69 4.91 0.00 2.71 2.82 0.00 0.00 6.78 7.57 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 72 S 7.76 4.32 0.00 4.01 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 73 G 8.20 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 0.00 0.00 0.00 74 T 8.18 4.34 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 75 I 8.73 4.77 1.75 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.80 0.79 0.00 0.00 76 P 0.00 4.39 0.00 1.83 1.87 0.00 3.58 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 77 V 8.35 3.92 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 0.91 0.00 0.00 0.73 0.00 0.00 78 N 7.72 4.17 0.00 2.86 2.06 0.00 0.00 6.85 6.64 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 79 T 8.34 3.83 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 1.16 0.00 0.00 80 G 6.00 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 0.00 0.00 0.00 0.00 81 L 8.23 4.66 0.00 1.51 1.36 -0.26 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.95 4.83 0.00 2.96 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 83 R 8.27 4.02 0.00 1.59 1.73 0.00 2.80 0.00 0.00 2.78 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.50 0.00 84 W 8.87 4.72 0.00 3.30 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 85 V 7.36 4.41 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 0.78 0.00 0.00 0.86 0.00 0.00 86 A 7.24 3.40 0.73 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 0.00 0.00 0.00 0.00 0.00 *90 V 8.29 3.92 2.11 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 0.90 0.00 0.00 0.96 0.00 0.00 91 Q 8.35 4.79 0.00 2.44 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 5.98 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 92 G 8.85 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 0.00 0.00 0.00 93 A 8.54 4.54 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 94 I 8.77 4.45 1.72 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.78 0.77 0.00 0.00 95 T 9.03 4.78 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 1.21 0.00 0.00 96 L 8.70 4.96 0.00 1.57 1.63 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.81 5.03 1.93 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 1.12 0.85 1.01 0.00 0.00 98 Y 8.94 4.65 0.00 3.16 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 99 N 8.80 4.77 0.00 2.83 2.57 0.00 0.00 6.26 8.04 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 0.00 100 D 8.25 4.71 0.00 2.27 1.54 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 0.00 0.00 0.00 0.00 101 V 8.01 4.44 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 1.20 0.00 0.00 0.84 0.00 0.00 102 P 0.00 4.71 0.00 2.13 2.03 0.00 3.89 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 2.07 2.17 0.00 103 G 9.50 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 0.00 0.00 0.00 104 T 7.98 4.61 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 1.26 0.00 0.00 105 Y 8.26 4.09 0.00 3.09 3.13 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 0.00 106 G 7.65 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.03 4.74 0.00 2.85 2.94 0.00 0.00 6.07 8.04 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 0.00 108 N 8.01 4.80 0.00 3.00 2.68 0.00 0.00 6.52 6.85 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 0.00 109 S 8.89 4.45 0.00 3.89 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 0.00 110 G 9.49 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 111 S 7.59 4.50 0.00 3.83 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 0.00 112 F 8.45 5.42 0.00 3.12 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 0.00 113 S 9.00 5.04 0.00 3.94 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.88 4.97 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 1.14 0.00 0.00 1.13 0.00 0.00 115 N 9.21 5.62 0.00 2.69 2.73 0.00 0.00 6.47 7.89 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 0.00 116 I 9.37 5.19 2.08 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 1.27 1.14 0.98 0.00 0.00 117 G 9.36 4.52 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 0.00 118 K 8.63 4.86 0.00 1.68 1.77 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.51 7.81 119 D 9.26 4.77 0.00 2.62 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 0.00 120 Q 8.48 4.24 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 121 S 8.30 4.15 0.00 3.89 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 * Residues marked with a * may have inaccurate shift predictions.