NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2177 8.3149 121.7838 56.4766 34.0653 176.4882 3 T 3.6818 7.7812 115.2629 62.2333 68.9101 171.5517 4 P 3.9920 0.0000 0.0000 63.5462 33.1757 175.0596 5 T 5.0247 7.5836 119.9459 61.7810 72.1342 173.3248 6 F 4.8558 9.5184 123.3930 56.6285 43.9449 174.7499 7 G 4.4696 9.1619 108.3401 46.5554 0.0000 173.6559 8 K 4.0562 8.7097 124.0671 56.4172 32.2727 176.6230 9 R 4.4928 8.1803 120.8543 54.6380 30.9186 175.5187 10 E 4.5307 9.6756 121.0710 54.8211 30.3790 177.3739 11 E 4.1561 8.7681 122.3969 59.0892 30.1303 178.5743 12 T 4.0213 7.9649 116.0690 66.3047 68.7928 175.0304 13 L 4.3586 7.2751 118.4397 53.9338 42.6989 176.1204 14 T 4.4838 8.0566 111.2388 60.6384 70.0701 173.7241 15 Y 4.3968 8.6329 123.9437 57.1826 39.2266 175.2107 16 Q 4.4297 8.7955 123.4762 55.6427 30.7625 174.8641 17 T 4.9645 8.4298 119.0743 62.5605 70.1894 174.5138 18 R 4.5264 8.5447 124.5289 54.5819 34.5648 174.0947 19 Y 4.9792 8.5059 119.9162 57.1803 40.1550 174.3294 20 A 5.1066 9.1064 122.7727 50.3001 23.5008 174.8368 21 A 5.0410 8.3880 120.4633 50.4262 22.6782 175.0610 22 Y 5.1133 8.7153 118.1611 56.3309 42.8616 174.2550 23 I 5.2799 8.6766 120.8284 59.5793 41.6688 174.4832 24 I 3.8823 8.7583 130.2558 60.6915 38.6063 174.9228 25 V 4.4907 8.1703 127.3792 61.1842 33.3250 174.1789 26 S 5.3146 8.8862 122.1660 56.6400 66.3262 174.1871 27 K 4.6558 9.5280 123.8672 53.9771 31.7592 174.5101 28 P 4.4621 0.0000 0.0000 65.0049 31.9051 178.6304 29 E 3.9956 8.4208 115.3781 58.6424 29.3515 177.3667 30 N 4.8316 8.0301 113.4637 51.3238 38.4334 173.7125 31 N 4.2386 8.0149 115.6922 55.9164 37.8989 172.3846 32 T 5.3310 8.0712 107.2636 60.3105 73.2296 173.7071 33 M 5.5100 9.3205 118.6049 53.8704 35.1468 173.9982 34 V 3.9754 7.4052 119.4021 59.8766 33.1776 175.2037 35 L 4.8422 8.5484 123.3378 52.9120 45.5105 175.3589 36 V 4.6388 8.7880 122.5066 61.4469 33.6419 174.1093 37 Q 4.7491 9.0398 130.0871 53.9923 30.6223 175.2126 38 A 5.0964 8.8480 129.4898 50.8337 19.2698 176.1740 39 P 4.2166 0.0000 0.0000 65.7299 31.3764 178.0133 40 N 4.4040 8.0112 113.3890 53.8826 37.3998 175.6558 41 G 3.8154 8.0163 107.1502 44.8529 0.0000 173.8303 42 A 3.9484 8.2282 122.8634 51.9865 19.6397 176.1453 43 Y 4.7574 8.0932 119.4473 56.7920 40.1098 174.7896 44 F 5.2306 9.0823 121.2007 55.3208 43.7524 174.4893 45 L 4.4439 8.8286 120.7227 54.1374 42.4643 175.3932 46 P 4.3391 0.0000 0.0000 63.5147 32.5369 176.2452 47 G 3.8227 8.5187 109.3574 45.4063 0.0000 171.9922 48 G 3.7090 6.9058 106.0459 45.2498 0.0000 171.2180 49 E 4.3995 8.1911 119.0542 56.2553 30.0685 177.3173 50 I 3.9642 8.6002 125.9694 61.3553 37.9827 175.3519 51 E 4.6596 9.2397 125.4848 53.6620 33.2316 179.0845 52 G 3.7006 8.7121 111.1456 47.6105 0.0000 174.3308 53 T 4.5065 8.4306 112.6895 60.8455 68.7968 174.1971 54 E 4.2131 7.9213 121.6233 57.2518 30.1096 177.7946 55 T 4.1580 8.6129 113.3696 60.8701 71.2750 176.0200 56 K 3.8067 8.3474 120.6057 59.9093 31.9807 179.3952 57 E 3.6262 7.8668 118.0382 59.2726 29.4293 179.0895 58 E 3.9555 8.1900 118.5018 59.2455 29.4609 179.2289 59 A 4.0330 7.9649 120.8806 55.0731 18.3400 179.7520 60 I 3.4785 7.4238 117.9110 64.8343 36.7752 178.3034 61 H 4.1235 8.1012 117.0448 58.8420 28.5294 177.8938 62 R 3.8790 8.0243 120.3461 59.4623 29.5087 178.4671 63 E 3.9117 8.1860 118.3798 59.5996 29.5000 179.8658 64 V 3.6874 7.9727 112.3872 63.7547 31.5278 178.5434 65 L 4.0324 7.5985 119.9907 58.1967 42.0155 178.6875 66 E 3.9197 8.1505 118.3946 59.6122 29.2392 179.2615 67 E 4.0582 8.5975 117.1176 58.1780 29.8794 178.0736 68 L 4.6637 7.9395 116.2533 53.2806 43.7153 177.3751 69 G 4.0797 8.4031 106.5490 46.5246 0.0000 172.6627 70 I 5.3084 7.6619 111.3535 58.7690 40.8401 174.6394 71 S 4.9614 8.8648 117.5801 57.2369 65.5444 173.3661 72 V 5.0865 8.2521 113.0903 59.7248 35.5839 175.0960 73 E 4.4771 9.3343 125.7932 54.8117 30.4461 175.1235 74 I 4.2081 8.4960 129.1177 60.3069 37.8671 175.1312 75 G 4.2848 9.2200 112.7113 45.9676 0.0000 176.5320 76 C 4.4826 9.1610 126.7876 59.4523 32.6575 170.2638 77 Y 4.5975 8.6602 127.3133 56.6271 38.1754 174.9559 78 L 3.9037 8.5615 129.0082 57.1913 42.7547 176.4578 79 G 3.3776 6.4030 103.1788 43.4541 0.0000 170.9821 80 E 5.3616 8.6386 120.1861 54.6635 31.2359 175.5910 81 A 4.5134 8.8601 127.4617 50.2101 22.7567 174.4735 82 D 5.2140 9.2182 122.0276 52.7612 43.7455 175.2447 83 E 5.3253 8.8474 122.0178 54.8200 33.1415 173.6953 84 Y 5.3567 9.4502 125.1061 56.5618 40.2495 174.8529 85 F 5.2144 9.5075 118.4194 56.1581 42.3711 172.1073 86 Y 4.8692 8.9390 120.1042 55.8250 41.0385 174.5182 87 S 4.6668 8.4653 122.4702 57.3864 63.0031 174.4779 88 N 4.5951 9.1787 126.0178 56.7323 38.7096 176.4431 89 H 4.4635 8.2473 112.2975 58.4818 28.9628 176.8835 90 R 3.8913 7.4389 117.9313 56.9042 30.1834 176.3119 91 Q 3.3902 7.4427 115.3555 56.8315 27.0086 173.7993 92 T 4.3164 6.5297 111.2696 61.5004 73.3736 173.9039 93 A 4.2218 7.9473 127.4622 51.5978 19.9945 175.6544 94 Y 5.0729 8.8402 120.2055 56.1775 41.5826 174.1070 95 Y 4.3849 9.4887 125.9041 56.6603 40.5903 173.7986 96 N 5.7400 8.3288 125.7542 49.3628 39.9141 169.5803 97 P 4.7960 0.0000 0.0000 61.5729 32.9005 174.9503 98 G 4.2571 8.5860 112.1322 44.4393 0.0000 171.4920 99 Y 5.3009 8.6380 121.6512 56.1250 40.7661 174.5849 100 F 5.5134 9.3862 123.4151 56.1023 41.8551 174.5743 101 Y 5.4651 9.2893 119.6677 56.3504 43.0032 174.1120 102 V 4.7229 8.9030 119.7072 61.0329 34.5799 174.2969 103 A 4.6844 8.8476 130.3533 52.0153 18.3829 177.2332 104 N 4.6538 9.3667 121.8396 56.4991 39.3271 175.2031 105 T 4.9168 7.8643 111.1386 61.0388 71.4817 171.7598 106 W 5.5357 7.8846 120.0724 55.7381 31.3653 173.5788 107 R 4.5853 9.1909 119.9470 54.6094 33.2862 173.5286 108 Q 4.7241 8.9410 127.6079 56.2340 29.1026 174.8360 109 L 4.7881 8.9989 126.9789 56.1075 44.3689 176.2357 110 S 4.5339 7.5100 110.8253 57.4274 65.3747 173.2501 111 E 4.2874 8.4687 119.3826 55.3736 29.8818 175.3007 112 P 4.4388 0.0000 0.0000 62.8512 31.8615 176.8927 113 L 4.2848 8.1846 121.2999 55.6022 41.1771 177.8286 *115 R 4.2193 7.8688 115.3083 56.3271 31.4291 177.2811 116 T 4.1157 8.0343 109.8402 64.1537 69.9640 174.7385 117 N 4.9535 7.9210 118.8994 53.0870 40.3353 174.1220 118 T 4.8973 8.5914 109.9782 60.0293 72.0731 172.8560 119 L 5.1166 8.3438 122.4622 53.6258 44.1645 175.7262 120 H 4.8320 8.7274 119.0315 53.9997 32.7550 172.3783 121 W 5.0681 9.0547 123.9515 55.7465 29.9164 176.1603 122 V 4.7384 9.0179 117.6262 58.8929 36.1752 175.2691 123 A 4.6630 8.4801 123.9665 51.2845 19.1641 176.9552 124 P 4.3432 0.0000 0.0000 66.1069 30.8948 179.1530 125 E 4.0454 8.1719 116.6059 59.0641 29.4443 178.8417 126 E 3.9005 8.0300 119.0564 58.8516 29.7714 178.1440 127 A 3.7688 8.2717 121.3883 55.3194 18.1748 179.5556 128 V 3.4434 7.4907 115.1163 66.5032 31.5911 178.2493 129 R 4.0154 7.3947 115.2443 58.4274 29.9496 178.1568 130 L 4.1061 7.2296 117.5350 55.0478 42.4435 177.4845 131 L 4.1098 7.2787 118.9312 54.3686 42.1892 177.1635 132 K 3.9080 8.4407 125.0981 58.8463 32.5511 177.7767 133 R 4.6297 7.4175 117.5279 54.1808 32.8403 177.4065 134 G 3.1409 8.4951 109.8721 47.6980 0.0000 176.0291 135 S 3.6825 7.7323 116.1882 61.4590 63.0056 176.4791 136 H 4.0612 7.9426 119.2841 58.5460 28.5469 177.7342 137 R 3.8132 7.8010 119.8913 58.9080 29.8783 178.7576 138 W 4.0415 8.0718 127.9832 60.4287 30.6111 177.8801 139 A 3.2931 7.5339 120.2027 54.8984 17.6993 179.8163 140 V 3.5680 7.5331 116.6406 66.2291 31.6536 178.1252 141 E 3.9038 8.1864 118.4128 59.1254 29.0059 179.3064 142 K 3.6555 7.4082 118.8520 59.0731 32.6076 178.3634 143 W 4.2399 8.1719 128.6839 60.4853 30.3778 177.8669 144 L 3.5052 8.1853 118.0942 57.3623 41.1486 178.6608 145 A 4.3487 7.4697 117.4179 51.8157 18.8351 177.0138 146 A 4.1549 7.1544 120.4460 50.5529 18.6124 177.0218 147 A 4.4179 8.0324 125.0149 50.9605 20.6811 177.2181 148 S 4.2896 8.5079 112.8208 58.9815 62.7691 174.5399 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 K 8.31 4.22 0.00 1.71 1.91 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.55 7.81 3 T 7.78 3.68 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 4 P 0.00 3.99 0.00 1.28 1.53 0.00 3.37 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.92 0.00 5 T 7.58 5.02 4.10 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 1.40 0.00 0.00 6 F 9.52 4.86 0.00 3.14 2.92 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 7 G 9.16 4.47 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 0.00 0.00 0.00 8 K 8.71 4.06 0.00 1.83 1.84 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.41 7.81 9 R 8.18 4.49 0.00 1.01 1.01 0.00 2.21 0.00 0.00 2.65 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.29 0.00 10 E 9.68 4.53 0.00 2.13 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 2.31 2.35 0.00 11 E 8.77 4.16 0.00 2.05 2.06 0.00 0.00 0.00 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 2.26 0.00 12 T 7.96 4.02 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 1.19 0.00 0.00 13 L 7.28 4.36 0.00 1.47 1.39 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.06 4.48 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 1.21 0.00 0.00 15 Y 8.63 4.40 0.00 2.99 3.11 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 16 Q 8.80 4.43 0.00 1.75 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.85 0.00 0.00 0.00 0.00 0.00 2.11 2.30 0.00 17 T 8.43 4.96 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 0.76 0.00 0.00 18 R 8.54 4.53 0.00 1.49 1.60 0.00 3.00 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 19 Y 8.51 4.98 0.00 2.98 3.07 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 0.00 0.00 0.00 0.00 20 A 9.11 5.11 1.08 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 0.00 0.00 21 A 8.39 5.04 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 22 Y 8.72 5.11 0.00 2.54 2.83 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 23 I 8.68 5.28 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.00 0.86 0.00 0.00 24 I 8.76 3.88 1.44 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.44 -0.13 0.00 0.00 25 V 8.17 4.49 1.67 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 0.14 0.00 0.00 0.71 0.00 0.00 26 S 8.89 5.31 0.00 4.21 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 27 K 9.53 4.66 0.00 2.03 2.00 0.00 0.98 0.00 0.00 1.32 0.00 0.00 2.54 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.29 1.48 7.81 28 P 0.00 4.46 0.00 2.28 2.20 0.00 3.77 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 29 E 8.42 4.00 0.00 2.06 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 0.00 2.27 2.22 0.00 30 N 8.03 4.83 0.00 2.83 2.90 0.00 0.00 6.06 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 31 N 8.01 4.24 0.00 3.04 2.89 0.00 0.00 6.73 7.15 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 32 T 8.07 5.33 4.60 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 1.42 0.00 0.00 33 M 9.32 5.51 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 34 V 7.41 3.98 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 -0.06 0.00 0.00 -0.05 0.00 0.00 35 L 8.55 4.84 0.00 1.59 1.66 0.66 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.79 4.64 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 1.03 0.00 0.00 0.88 0.00 0.00 37 Q 9.04 4.75 0.00 1.61 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 1.85 1.17 0.00 38 A 8.85 5.10 1.49 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 0.00 0.00 0.00 39 P 0.00 4.22 0.00 2.04 2.13 0.00 3.69 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 2.02 2.07 0.00 40 N 8.01 4.40 0.00 2.82 2.97 0.00 0.00 6.28 7.00 0.00 0.00 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 G 8.02 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 42 A 8.23 3.95 1.01 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 43 Y 8.09 4.76 0.00 2.80 2.65 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 44 F 9.08 5.23 0.00 2.92 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 45 L 8.83 4.44 0.00 1.47 1.65 0.98 0.95 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 46 P 0.00 4.34 0.00 1.99 1.86 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 47 G 8.52 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 48 G 6.91 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 49 E 8.19 4.40 0.00 1.76 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 0.00 2.22 2.24 0.00 50 I 8.60 3.96 1.93 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 1.18 0.43 0.90 0.00 0.00 51 E 9.24 4.66 0.00 1.86 1.78 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 2.17 2.34 0.00 52 G 8.71 3.70 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 0.00 0.00 0.00 53 T 8.43 4.51 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 1.20 0.00 0.00 54 E 7.92 4.21 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 2.31 2.29 0.00 55 T 8.61 4.16 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 1.14 0.00 0.00 56 K 8.35 3.81 0.00 1.72 1.94 0.00 1.35 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.31 7.81 57 E 7.87 3.63 0.00 1.93 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 2.22 1.98 0.00 58 E 8.19 3.96 0.00 2.19 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 2.30 2.29 0.00 59 A 7.96 4.03 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 60 I 7.42 3.48 1.72 0.00 0.00 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 1.36 0.34 0.72 0.00 0.00 61 H 8.10 4.12 0.00 3.26 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.02 3.88 0.00 1.86 1.99 0.00 3.06 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 63 E 8.19 3.91 0.00 1.96 2.06 0.00 0.00 0.00 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 2.34 0.00 64 V 7.97 3.69 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 0.75 0.00 0.00 1.02 0.00 0.00 65 L 7.60 4.03 0.00 1.77 1.79 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.15 3.92 0.00 2.12 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 2.31 2.34 0.00 67 E 8.60 4.06 0.00 1.87 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 2.28 2.42 0.00 68 L 7.94 4.66 0.00 1.68 1.58 0.66 0.57 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 69 G 8.40 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 0.00 0.00 0.00 0.00 70 I 7.66 5.31 2.29 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 1.53 0.83 1.05 0.00 0.00 71 S 8.86 4.96 0.00 3.99 4.07 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 0.00 0.00 0.00 0.00 72 V 8.25 5.09 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 0.77 0.00 0.00 0.92 0.00 0.00 73 E 9.33 4.48 0.00 2.07 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 0.00 2.31 2.33 0.00 74 I 8.50 4.21 1.83 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.55 0.84 0.00 0.00 75 G 9.22 4.28 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 0.00 76 C 9.16 4.48 0.00 3.14 2.96 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 77 Y 8.66 4.60 0.00 2.92 2.93 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 78 L 8.56 3.90 0.00 1.68 1.51 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 79 G 6.40 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 80 E 8.64 5.36 0.00 2.29 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 2.19 2.17 0.00 81 A 8.86 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 9.22 5.21 0.00 2.60 2.58 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 83 E 8.85 5.33 0.00 2.19 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 2.28 2.57 0.00 84 Y 9.45 5.36 0.00 3.10 2.83 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 85 F 9.51 5.21 0.00 3.30 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 86 Y 8.94 4.87 0.00 3.00 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 87 S 8.47 4.67 0.00 4.28 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 88 N 9.18 4.60 0.00 2.88 2.99 0.00 0.00 7.20 8.16 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 89 H 8.25 4.46 0.00 3.25 3.47 0.00 5.72 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.44 3.89 0.00 1.71 2.00 0.00 3.34 0.00 0.00 2.98 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.64 0.00 91 Q 7.44 3.39 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.60 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 92 T 6.53 4.32 3.60 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 0.44 0.00 0.00 93 A 7.95 4.22 0.34 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 0.00 0.00 94 Y 8.84 5.07 0.00 1.48 2.39 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 95 Y 9.49 4.38 0.00 2.86 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 96 N 8.33 5.74 0.00 3.12 2.78 0.00 0.00 7.07 7.74 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 97 P 0.00 4.80 0.00 2.18 2.06 0.00 3.41 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.29 0.00 98 G 8.59 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 0.00 0.00 0.00 0.00 99 Y 8.64 5.30 0.00 3.12 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 0.00 100 F 9.39 5.51 0.00 3.31 3.11 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 0.00 101 Y 9.29 5.47 0.00 2.91 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 0.00 102 V 8.90 4.72 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 1.02 0.00 0.00 1.15 0.00 0.00 103 A 8.85 4.68 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 0.00 104 N 9.37 4.65 0.00 2.90 2.98 0.00 0.00 6.77 7.55 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 0.00 105 T 7.86 4.92 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 1.29 0.00 0.00 106 W 7.88 5.54 0.00 3.67 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.19 4.59 0.00 1.88 1.82 0.00 3.11 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 108 Q 8.94 4.72 0.00 2.36 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.63 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 109 L 9.00 4.79 0.00 1.70 1.70 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.51 4.53 0.00 3.98 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 0.00 111 E 8.47 4.29 0.00 2.00 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 0.00 2.34 2.29 0.00 112 P 0.00 4.44 0.00 2.04 2.15 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 113 L 8.18 4.28 0.00 1.63 1.68 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 *115 R 7.87 4.22 0.00 1.82 1.99 0.00 3.21 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.84 0.00 116 T 8.03 4.12 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 1.20 0.00 0.00 117 N 7.92 4.95 0.00 2.66 2.86 0.00 0.00 6.68 7.05 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 0.00 118 T 8.59 4.90 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 1.20 0.00 0.00 119 L 8.34 5.12 0.00 1.52 1.44 0.93 0.97 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 0.00 120 H 8.73 4.83 0.00 3.16 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 W 9.05 5.07 0.00 3.20 3.22 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 0.00 122 V 9.02 4.74 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 0.86 0.00 0.00 123 A 8.48 4.66 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 0.00 124 P 0.00 4.34 0.00 2.35 2.53 0.00 3.72 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 125 E 8.17 4.05 0.00 2.06 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 2.40 2.43 0.00 126 E 8.03 3.90 0.00 2.05 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 0.00 2.31 2.30 0.00 127 A 8.27 3.77 1.26 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 0.00 0.00 0.00 128 V 7.49 3.44 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 0.00 0.90 0.00 0.00 129 R 7.39 4.02 0.00 1.92 1.90 0.00 3.17 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 130 L 7.23 4.11 0.00 1.11 0.60 0.28 0.69 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 0.00 131 L 7.28 4.11 0.00 1.51 1.48 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.44 3.91 0.00 1.22 1.35 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.30 1.36 7.81 133 R 7.42 4.63 0.00 1.59 1.87 0.00 2.92 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 134 G 8.50 3.14 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 0.00 135 S 7.73 3.68 0.00 4.15 4.28 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 0.00 136 H 7.94 4.06 0.00 3.22 3.30 0.00 5.64 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 0.00 137 R 7.80 3.81 0.00 1.83 1.89 0.00 3.07 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 138 W 8.07 4.04 0.00 3.28 3.14 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 0.00 139 A 7.53 3.29 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 0.00 140 V 7.53 3.57 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 1.20 0.00 0.00 0.90 0.00 0.00 141 E 8.19 3.90 0.00 1.90 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 2.29 2.43 0.00 142 K 7.41 3.66 0.00 0.84 1.34 0.00 1.12 0.00 0.00 1.29 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.18 1.15 7.81 143 W 8.17 4.24 0.00 3.32 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 0.00 144 L 8.19 3.51 0.00 1.77 1.61 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.47 4.35 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 0.00 146 A 7.15 4.15 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 0.00 147 A 8.03 4.42 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 0.00 148 S 8.51 4.29 0.00 3.98 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 * Residues marked with a * may have inaccurate shift predictions.