NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3368 0.0000 0.0000 62.4482 32.5123 176.6958 6 T 3.9441 8.2902 113.0636 60.4933 71.0856 173.3312 7 I 3.7959 8.3197 119.9110 64.0540 38.3191 178.0730 8 N 4.2294 8.1407 117.4400 57.1203 38.7401 176.4584 9 Q 3.9819 8.1278 119.1091 59.2132 28.2035 179.2951 10 L 4.0234 7.9249 119.8892 57.4527 41.5106 179.3381 11 V 3.7490 7.8774 117.1741 65.4633 31.4551 176.3826 12 R 4.3604 7.6838 115.5048 57.7691 31.2737 177.9415 13 K 4.0858 8.4675 120.5533 59.0857 32.7697 178.8788 14 G 3.9501 7.9109 103.7009 45.1795 0.0000 172.1939 15 R 4.4959 8.0856 116.9349 54.3589 31.6827 175.8628 16 E 4.3346 8.4588 122.5757 54.5972 30.5249 175.7141 17 K 4.2100 8.7876 127.9185 56.2776 34.1881 175.0784 18 V 2.6472 8.3687 111.2651 62.6604 31.2268 177.2073 19 R 3.9919 9.2551 132.2496 57.4082 28.4212 174.3296 20 K 4.3408 7.9632 122.3675 55.6684 34.0692 176.6766 21 K 4.4036 8.1758 119.4125 54.2680 33.9284 175.4616 22 S 4.0711 8.6472 118.8271 58.1367 61.3464 174.4398 23 K 3.6962 8.3379 128.3443 58.1070 32.1233 176.8817 24 V 3.9900 7.5038 115.3520 62.3677 32.6017 171.3875 25 P 4.5506 0.0000 0.0000 61.9332 29.1788 177.5959 26 A 4.4298 8.1264 125.5579 52.7308 18.1711 174.2702 27 L 3.2498 9.7951 126.0140 56.6510 42.1660 176.6822 28 K 3.8560 9.4024 122.2403 56.1610 32.1941 175.8693 29 G 3.7221 8.1686 105.5266 46.4645 0.0000 173.4632 30 A 4.4888 7.6928 121.2003 49.6922 20.5038 176.7178 31 P 3.9931 0.0000 0.0000 65.2895 31.3032 176.3775 32 F 5.3144 7.4102 111.9963 55.2891 43.5288 173.5171 33 R 4.6453 8.3955 117.7862 55.5818 32.9213 174.8401 34 R 4.7215 8.9303 126.8207 56.9916 31.9235 174.9608 35 G 4.4376 8.9714 109.4062 45.4355 0.0000 171.9482 36 V 4.9327 8.2162 120.2460 60.7540 34.4339 174.5078 37 C 4.6933 8.8665 126.2523 60.3863 28.4381 174.1905 38 T 4.2031 8.6983 114.6184 63.2738 70.0751 175.5462 39 V 4.5527 7.5065 120.2009 60.9756 35.4999 173.8223 40 V 4.8541 8.4026 119.5329 59.6865 33.9267 174.8343 41 R 4.6505 8.9288 124.9129 55.0267 34.4525 173.5380 42 T 4.8487 8.4902 117.5855 60.8807 68.2094 173.8744 43 V 4.6488 8.6883 123.2197 59.7275 34.6298 175.5824 44 T 5.0251 8.2354 113.2931 59.7433 70.1120 172.7421 45 P 4.7078 0.0000 0.0000 61.1498 32.6370 180.1243 46 K 4.2601 8.9845 122.9729 56.7310 31.6362 177.9107 47 K 4.0634 8.6010 119.6124 57.1376 31.9038 175.1243 48 P 4.6761 0.0000 0.0000 63.0508 31.3885 176.3505 49 N 5.1159 8.4538 115.2393 52.2320 42.1493 173.8542 50 S 4.6639 8.3512 114.4398 56.4968 65.7335 173.1659 51 A 4.2324 7.5600 125.5523 52.4993 23.4580 174.5919 52 L 5.0117 8.4621 114.8367 52.9526 42.6191 175.4599 53 R 4.1917 9.1684 122.6915 55.6505 31.7113 175.8976 54 K 4.4651 8.6552 123.8906 56.3389 32.7627 176.2359 55 V 4.9304 8.4410 118.4273 59.6102 35.6182 174.4079 56 A 5.0398 8.9418 121.1093 51.1822 23.0456 175.4589 57 K 4.7470 8.7567 120.3377 54.9108 34.3808 175.8412 58 V 4.7809 8.4274 124.4643 60.8575 34.8714 174.3625 59 R 4.6230 8.8220 128.8493 55.4390 30.9091 175.8304 60 L 4.8323 8.4977 126.9557 53.5823 43.8190 177.1469 61 T 4.4857 7.7147 108.7374 62.4909 68.9715 175.6736 62 S 4.6070 7.8665 114.0037 59.1284 65.3082 176.0002 63 G 4.0067 8.3479 109.2149 45.7890 0.0000 174.6359 64 Y 4.2518 7.4561 116.5447 58.8198 39.0576 175.6338 65 E 5.4333 8.9410 118.1569 58.7446 33.5934 176.2747 66 V 3.6936 7.5897 112.3241 59.8167 33.3182 175.1167 67 T 4.9214 8.6617 114.0114 61.2696 70.6738 173.3560 68 A 5.2697 9.8805 126.0182 50.4943 23.4313 173.7868 69 Y 4.7789 8.9246 119.9302 56.1138 41.6240 174.8395 70 I 4.4412 6.7551 125.7094 58.9864 38.4658 174.8431 71 P 4.5673 0.0000 0.0000 63.1667 32.2037 176.2038 72 G 4.0253 8.3607 108.7852 46.8579 0.0000 171.8804 73 E 4.4470 8.9817 118.2821 57.1369 31.1523 176.0554 74 G 4.0086 9.8778 112.0099 46.2523 0.0000 171.2919 75 H 4.9966 8.0987 117.1352 53.8912 31.9827 172.7528 76 N 4.8285 8.5473 116.2890 52.4920 37.2273 175.9361 77 L 4.5330 7.6485 118.6084 54.1488 42.7140 177.0735 78 Q 4.3241 8.2914 125.5534 55.4922 30.4497 176.4988 79 E 4.5163 8.6665 122.7417 57.4733 29.4356 177.4551 80 H 5.0514 7.6701 110.1948 56.5905 31.9109 173.5323 81 S 4.5001 8.2228 115.9258 58.2669 63.8305 174.3109 82 V 4.1152 9.3416 124.7274 63.2184 32.9667 174.4255 83 V 4.5743 7.9823 119.9809 62.3861 35.8005 170.2096 84 L 5.0745 8.1373 126.4393 53.2389 44.7787 174.4972 85 I 4.8043 8.5500 125.8448 59.8079 40.0389 175.0666 86 R 4.4620 9.8943 131.1434 59.4414 30.7683 176.1063 87 G 3.9014 9.2587 103.8589 44.6010 0.0000 174.1462 88 G 3.9439 8.8195 109.3406 45.3408 0.0000 174.0181 89 R 4.1654 7.8795 122.4313 55.4886 29.6280 176.6583 90 V 4.3258 7.9901 111.1025 61.8556 31.7669 173.4289 91 K 4.1300 7.2611 123.6479 55.2302 32.4010 174.1016 92 D 5.1607 7.4014 133.1429 54.2238 42.3806 175.5359 93 L 4.8752 7.3574 119.4130 50.8461 41.8378 172.1014 94 P 4.1918 0.0000 0.0000 64.5187 31.8342 176.4742 95 G 4.1717 9.5768 111.8923 45.2513 0.0000 172.8471 96 V 4.5923 7.6509 118.1632 61.1629 34.2650 176.1838 97 R 4.5973 8.3231 121.6344 55.9969 32.2656 174.2898 98 Y 4.8913 8.0991 114.9762 56.9735 42.7586 173.5428 99 H 5.3417 9.0716 118.0414 54.1491 32.7218 173.2816 100 I 4.5888 8.8565 124.0300 60.0435 37.3963 175.5074 101 V 3.5412 8.0898 128.2821 63.0419 31.7403 176.2499 102 R 3.8963 8.4302 127.5458 57.5883 30.4949 177.2974 103 G 3.8898 9.0102 109.5348 44.5267 0.0000 173.0039 104 V 4.2779 7.1363 117.9457 61.4940 35.3404 176.7689 105 Y 3.8112 7.7228 122.2900 60.0087 37.0662 171.6340 106 D 4.6755 8.8457 128.3168 55.2464 40.3285 175.4406 107 A 4.3514 8.9570 125.5589 51.0283 19.5292 177.2395 108 A 4.6187 8.5066 126.3926 50.0485 21.2167 176.7489 109 G 4.2692 8.2574 107.0994 45.8695 0.0000 172.5104 110 V 4.3883 7.6362 118.9924 60.9510 32.1086 176.1407 111 K 4.0941 8.7904 129.3870 56.5409 33.1747 175.4464 112 D 4.3168 8.5217 121.2602 55.6761 38.4456 174.4380 113 R 4.4645 7.9434 117.4726 54.7200 31.9466 174.2747 114 K 4.4237 8.5189 124.8736 57.7669 34.3339 179.6261 115 K 4.3594 7.5175 119.7911 54.9515 31.1653 178.4102 116 S 4.0544 8.6440 126.6383 60.5716 62.3594 173.8308 117 R 4.5520 8.3190 123.9772 56.3767 32.1330 178.6644 118 S 4.1253 8.3691 112.0510 61.1696 62.5022 174.7185 119 K 4.3154 7.9324 118.6690 57.2355 32.7287 177.3841 120 Y 3.3649 8.3227 116.9275 58.3532 35.8543 170.9905 121 G 3.7451 7.8827 101.5366 47.3682 0.0000 173.3426 122 T 4.8498 7.8581 123.3950 61.5398 72.9063 174.3901 123 K 4.1140 8.3911 124.4148 55.6437 32.8447 177.3875 124 K 4.0872 8.4525 124.2982 55.1735 31.0777 174.3322 125 P 4.1876 0.0000 0.0000 62.4355 31.4460 176.3203 126 K 3.9672 8.5781 123.5988 56.5504 32.3610 177.5949 127 E 4.2525 8.5540 126.9632 56.2572 27.3367 177.1652 128 A 4.1652 7.7345 128.0672 51.7495 16.5008 177.9139 *129 A 4.1172 7.6906 126.4086 51.7063 18.9464 177.0834 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 5 P 0.00 4.34 0.00 2.19 2.13 0.00 3.74 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 1.88 1.96 0.00 6 T 8.29 3.94 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 1.21 0.00 0.00 7 I 8.32 3.80 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.19 0.91 0.00 0.00 8 N 8.14 4.23 0.00 2.82 2.80 0.00 0.00 7.17 7.40 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 9 Q 8.13 3.98 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 10 L 7.92 4.02 0.00 1.97 1.71 0.92 0.79 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 11 V 7.88 3.75 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 0.83 0.00 0.00 1.00 0.00 0.00 12 R 7.68 4.36 0.00 1.80 1.84 0.00 3.27 0.00 0.00 3.22 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.92 0.00 13 K 8.47 4.09 0.00 1.93 1.87 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.51 7.81 14 G 7.91 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 15 R 8.09 4.50 0.00 1.80 1.85 0.00 3.36 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 16 E 8.46 4.33 0.00 1.92 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 2.24 2.28 0.00 17 K 8.79 4.21 0.00 1.75 1.69 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.40 7.81 18 V 8.37 2.65 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 0.71 0.00 0.00 0.93 0.00 0.00 19 R 9.26 3.99 0.00 1.84 2.28 0.00 3.23 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 20 K 7.96 4.34 0.00 1.89 1.78 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.44 7.81 21 K 8.18 4.40 0.00 1.74 1.76 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.38 7.81 22 S 8.65 4.07 0.00 3.84 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 23 K 8.34 3.70 0.00 1.71 1.79 0.00 1.83 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.42 7.81 24 V 7.50 3.99 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 0.44 0.00 0.00 0.64 0.00 0.00 25 P 0.00 4.55 0.00 2.23 2.23 0.00 3.83 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 2.16 2.05 0.00 26 A 8.13 4.43 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 27 L 9.80 3.25 0.00 1.72 1.53 -0.38 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.40 3.86 0.00 1.90 1.95 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.43 7.81 29 G 8.17 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 30 A 7.69 4.49 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 31 P 0.00 3.99 0.00 1.76 1.66 0.00 3.61 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 32 F 7.41 5.31 0.00 2.92 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 33 R 8.40 4.65 0.00 1.91 1.73 0.00 3.19 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 34 R 8.93 4.72 0.00 2.03 1.79 0.00 2.88 0.00 0.00 2.76 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 35 G 8.97 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.22 4.93 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 0.96 0.00 0.00 0.88 0.00 0.00 37 C 8.87 4.69 0.00 3.01 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 38 T 8.70 4.20 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 1.26 0.00 0.00 39 V 7.51 4.55 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 0.96 0.00 0.00 0.93 0.00 0.00 40 V 8.40 4.85 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 0.79 0.00 0.00 1.03 0.00 0.00 41 R 8.93 4.65 0.00 1.81 1.69 0.00 3.24 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 42 T 8.49 4.85 4.25 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 1.22 0.00 0.00 43 V 8.69 4.65 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 0.74 0.00 0.00 1.03 0.00 0.00 44 T 8.24 5.03 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 1.23 0.00 0.00 45 P 0.00 4.71 0.00 2.09 2.23 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 46 K 8.98 4.26 0.00 1.76 0.82 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.39 7.81 47 K 8.60 4.06 0.00 1.79 1.56 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.35 7.81 48 P 0.00 4.68 0.00 2.22 2.12 0.00 3.76 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 1.98 1.98 0.00 49 N 8.45 5.12 0.00 2.69 2.71 0.00 0.00 6.53 7.61 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 50 S 8.35 4.66 0.00 3.82 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.56 4.23 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 52 L 8.46 5.01 0.00 1.52 1.61 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 53 R 9.17 4.19 0.00 2.06 2.17 0.00 3.26 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.98 0.00 54 K 8.66 4.47 0.00 1.44 1.44 0.00 1.60 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.52 7.81 55 V 8.44 4.93 2.19 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 0.91 0.00 0.00 1.02 0.00 0.00 56 A 8.94 5.04 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 57 K 8.76 4.75 0.00 1.73 1.73 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.37 7.81 58 V 8.43 4.78 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 1.09 0.00 0.00 0.92 0.00 0.00 59 R 8.82 4.62 0.00 1.95 1.79 0.00 3.22 0.00 0.00 3.47 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 60 L 8.50 4.83 0.00 1.69 1.61 0.86 0.63 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 61 T 7.71 4.49 4.25 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 1.27 0.00 0.00 62 S 7.87 4.61 0.00 4.13 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 63 G 8.35 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 0.00 0.00 0.00 64 Y 7.46 4.25 0.00 3.11 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 65 E 8.94 5.43 0.00 1.94 1.89 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 2.20 2.16 0.00 66 V 7.59 3.69 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 0.85 0.00 0.00 0.47 0.00 0.00 67 T 8.66 4.92 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 1.24 0.00 0.00 68 A 9.88 5.27 1.23 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 0.00 0.00 69 Y 8.92 4.78 0.00 2.93 2.54 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 70 I 6.76 4.44 1.54 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.57 0.72 0.00 0.00 71 P 0.00 4.57 0.00 1.72 1.79 0.00 3.75 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 2.00 2.33 0.00 72 G 8.36 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 73 E 8.98 4.45 0.00 1.97 1.92 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 2.27 2.35 0.00 74 G 9.88 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 0.00 0.00 0.00 75 H 8.10 5.00 0.00 3.19 3.17 0.00 5.50 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.55 4.83 0.00 2.83 2.90 0.00 0.00 5.95 7.79 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 77 L 7.65 4.53 0.00 1.76 1.69 0.86 1.07 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 78 Q 8.29 4.32 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.27 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 79 E 8.67 4.52 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 80 H 7.67 5.05 0.00 2.98 3.23 0.00 6.00 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.22 4.50 0.00 3.80 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 82 V 9.34 4.12 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 0.58 0.00 0.00 0.95 0.00 0.00 83 V 7.98 4.57 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 0.88 0.00 0.00 0.96 0.00 0.00 84 L 8.14 5.07 0.00 1.47 1.29 0.31 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.55 4.80 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.30 0.98 0.00 0.00 86 R 9.89 4.46 0.00 1.94 2.16 0.00 3.41 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.02 0.00 87 G 9.26 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 0.00 0.00 0.00 88 G 8.82 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 89 R 7.88 4.17 0.00 1.93 1.93 0.00 2.65 0.00 0.00 3.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 90 V 7.99 4.33 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.67 0.00 0.00 91 K 7.26 4.13 0.00 1.69 1.75 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.51 7.81 92 D 7.40 5.16 0.00 2.77 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 93 L 7.36 4.88 0.00 1.69 1.56 1.05 1.31 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 94 P 0.00 4.19 0.00 2.04 2.06 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 95 G 9.58 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 0.00 0.00 0.00 0.00 96 V 7.65 4.59 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 1.16 0.00 0.00 1.08 0.00 0.00 97 R 8.32 4.60 0.00 1.21 1.41 0.00 3.14 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 98 Y 8.10 4.89 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 99 H 9.07 5.34 0.00 3.15 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.86 4.59 1.88 0.00 0.00 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 1.13 0.70 0.94 0.00 0.00 101 V 8.09 3.54 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 0.50 0.00 0.00 0.86 0.00 0.00 102 R 8.43 3.90 0.00 1.79 1.90 0.00 3.60 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 103 G 9.01 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 0.00 104 V 7.14 4.28 1.61 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 0.13 0.00 0.00 0.68 0.00 0.00 105 Y 7.72 3.81 0.00 3.07 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 0.00 0.00 0.00 0.00 106 D 8.85 4.68 0.00 2.95 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 0.00 107 A 8.96 4.35 1.27 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 0.00 0.00 108 A 8.51 4.62 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 0.00 109 G 8.26 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 0.00 0.00 0.00 0.00 110 V 7.64 4.39 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 0.86 0.00 0.00 1.25 0.00 0.00 111 K 8.79 4.09 0.00 1.82 1.71 0.00 1.98 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.48 7.81 112 D 8.52 4.32 0.00 2.83 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 0.00 113 R 7.94 4.46 0.00 1.69 1.94 0.00 3.14 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.57 0.00 114 K 8.52 4.42 0.00 1.75 1.81 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.42 7.81 115 K 7.52 4.36 0.00 1.63 1.38 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.35 7.81 116 S 8.64 4.05 0.00 3.61 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 0.00 117 R 8.32 4.55 0.00 1.84 2.07 0.00 3.18 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.98 0.00 118 S 8.37 4.13 0.00 3.84 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 0.00 119 K 7.93 4.32 0.00 2.38 1.90 0.00 1.95 0.00 0.00 1.96 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.56 7.81 120 Y 8.32 3.36 0.00 3.07 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 0.00 121 G 7.88 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.86 4.85 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 1.27 0.00 0.00 123 K 8.39 4.11 0.00 1.75 1.73 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.36 7.81 124 K 8.45 4.09 0.00 1.71 1.77 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.42 7.81 125 P 0.00 4.19 0.00 2.21 2.06 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 126 K 8.58 3.97 0.00 1.71 1.78 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.52 7.81 127 E 8.55 4.25 0.00 1.99 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 0.00 2.31 2.30 0.00 128 A 7.73 4.17 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 *129 A 7.69 4.12 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 * Residues marked with a * may have inaccurate shift predictions.