NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 H 4.4978 8.4449 116.3305 56.5583 29.7636 168.9808 -3 H 3.9893 8.4425 124.9913 55.9112 26.1927 172.9375 -2 H 4.8771 8.6779 122.0122 55.2768 29.9042 174.1302 -1 H 4.9514 7.7290 113.5215 54.5096 31.2140 171.7558 0 H 4.9546 8.1117 114.4374 54.5616 31.6905 172.6426 1 H 4.8954 8.5855 115.2244 55.6294 29.5273 176.6110 2 K 4.0383 8.3860 122.7396 59.6667 31.8939 178.3356 3 D 4.6359 8.1613 115.4357 54.7007 39.5570 176.4578 4 E 4.3401 8.0198 118.9065 57.5191 30.1987 177.2352 5 V 4.3629 7.8420 109.8759 60.0743 34.1403 177.0845 6 A 4.0788 8.0202 124.7142 54.9314 18.2016 180.2919 7 L 3.8848 7.9564 117.6529 58.0064 41.6590 179.7030 8 L 3.5944 7.7840 118.1407 57.4558 41.2988 179.3410 9 A 4.2941 8.0105 120.6404 55.0512 18.3678 179.5204 10 A 3.9605 8.2626 119.5918 55.4454 18.4096 180.1191 11 V 3.6797 8.0295 116.8070 66.2484 31.5543 178.4078 12 T 4.0916 8.2475 115.7834 66.5967 68.3795 176.2986 13 L 4.0329 8.2981 122.3600 58.1089 42.1450 178.5343 14 L 4.0709 8.2536 120.4709 58.2298 41.9565 179.0217 15 G 4.0980 8.6399 105.7570 48.1690 0.0000 175.7528 16 V 3.4839 8.0744 120.7852 65.5991 31.5703 178.0757 17 L 3.9039 8.0500 118.7769 57.6336 41.4208 179.2328 18 L 3.5500 7.8727 120.2331 58.1675 41.9869 179.1443 19 Q 3.6826 7.6647 117.6931 58.4646 28.4508 178.4851 20 A 3.8934 7.9880 122.1118 55.2694 18.4286 178.7928 21 Y 3.9309 7.6664 117.9626 61.0219 38.7006 178.5217 22 F 3.5601 7.4222 118.3431 60.4782 38.9408 177.9091 23 S 4.1351 8.1010 114.6572 61.7035 62.6925 176.8391 24 L 4.0500 8.2009 121.9394 57.7154 41.1876 179.6497 25 Q 3.9887 8.0159 118.3974 58.6363 28.6098 178.7054 26 V 3.6644 8.0731 119.4700 66.1837 31.6527 177.9279 27 I 3.7846 7.7599 119.5146 64.7581 36.9732 178.3614 28 S 4.1399 8.2918 113.5448 61.2943 62.2562 176.0671 29 A 4.3834 8.4429 123.7188 55.1053 18.1789 179.8887 30 R 3.8841 8.4409 117.0063 59.4614 30.0639 178.9082 31 R 3.8069 8.0968 118.2421 59.3082 29.9087 178.0227 32 A 3.7924 7.8062 119.8908 54.8624 18.4253 178.7542 33 F 4.5818 7.9647 111.9307 56.0496 39.9909 175.9012 34 R 3.6307 7.4818 116.3824 57.2335 27.9409 177.5223 35 V 3.8592 7.3005 117.7930 61.3018 31.1163 174.7404 36 S 4.5334 8.0343 123.1761 56.3723 64.0147 173.0118 37 P 4.3006 0.0000 0.0000 62.3305 31.7319 175.2378 38 P 4.4064 0.0000 0.0000 61.5747 33.3848 174.9618 39 L 3.9366 9.4825 119.6897 56.7600 41.2897 174.0692 40 T 4.4656 8.0879 113.3368 61.1764 69.9875 173.2767 41 T 4.8923 8.1066 110.6968 59.8005 71.9806 174.4811 42 G 3.8913 8.4191 108.3244 45.4455 0.0000 170.6031 43 P 4.2854 0.0000 0.0000 62.5138 31.8894 175.1747 44 P 4.1169 0.0000 0.0000 66.2512 30.7188 178.4856 45 E 3.8891 7.8756 117.1802 58.7688 29.5587 178.5041 46 F 3.5170 7.5488 121.0533 60.9052 39.4426 177.0965 47 E 3.7277 7.8582 117.7538 59.2351 29.2446 179.1133 48 R 3.1165 8.0174 118.5267 59.0492 30.1870 179.3152 49 V 2.8680 6.6360 117.2701 65.7769 31.4513 177.0692 50 Y 3.9407 7.0487 119.2620 61.0989 38.4421 178.7349 51 R 3.5192 8.0671 118.6792 58.8395 30.1004 178.8119 52 A 3.9853 7.3963 121.0596 55.0519 18.1018 179.5678 53 Q 3.8537 7.7726 117.5624 59.3433 29.2046 178.4325 54 V 3.4625 7.6585 119.5811 65.7583 31.5588 177.5204 55 N 4.4150 8.3953 116.9753 56.9839 38.9404 176.5821 56 C 4.2288 8.1235 118.0945 63.1540 28.0193 176.3999 57 S 4.3205 8.2803 116.0271 61.5405 62.4966 176.2944 58 E 4.1659 8.3861 119.3554 59.0888 29.8086 178.0990 59 Y 4.2195 8.2044 116.5907 59.3057 38.1261 177.1115 60 F 4.5652 8.2615 122.5691 61.3879 39.4846 175.5136 61 P 4.1863 0.0000 0.0000 65.0719 31.1055 178.7128 62 L 3.9283 7.8406 117.9446 57.4759 41.5424 178.8979 63 F 3.9081 8.2419 120.5671 61.2130 39.3791 177.0646 64 L 3.3914 7.4996 118.2003 57.5361 41.4015 179.3730 65 A 3.9520 7.8358 120.4720 55.5714 18.3530 179.9314 66 T 3.8004 7.7121 114.1215 66.4313 68.4734 176.4954 67 L 3.6997 7.6804 122.5489 58.2911 41.9023 179.3384 68 W 3.8379 8.0154 118.1729 59.5842 29.0061 178.8846 69 V 3.8309 8.1050 118.0148 66.0597 30.9995 177.9469 70 A 4.2406 8.6715 121.1070 55.2457 18.0068 179.9038 71 G 3.4604 8.2720 103.6651 47.8203 0.0000 175.7109 72 I 3.8616 7.9169 121.3120 63.4402 37.4422 177.5442 73 F 4.3998 8.4165 117.1819 57.7317 39.4061 175.8715 74 F 4.5859 7.9024 117.5873 57.4616 41.8324 174.8708 75 H 4.2887 7.6669 112.6997 54.0779 33.3164 174.1971 76 E 3.9258 8.3001 129.3184 59.3850 29.6093 179.0293 77 G 3.6316 7.8922 105.0299 47.7051 0.0000 175.2522 78 A 4.0625 8.4377 122.6499 54.9025 18.4605 179.4796 79 A 3.9194 8.0486 118.5385 55.2011 18.4970 179.6388 80 A 3.9150 8.0318 119.3301 55.1457 18.4277 179.5858 81 L 3.9216 8.1744 118.8582 58.7161 42.1728 178.8241 82 C 4.2568 8.4966 117.0498 62.8313 27.9923 176.3155 83 G 4.1359 8.6705 107.6316 48.1276 0.0000 175.6526 84 L 4.0930 8.1689 121.7765 57.3933 41.6722 179.6781 85 V 3.7172 7.8887 118.1978 66.2635 31.4416 177.3043 86 Y 3.9197 8.3969 119.3439 60.8134 38.6635 178.2521 87 L 3.8060 8.1684 119.8990 57.5905 41.8134 179.2728 88 F 4.3864 8.6824 120.8712 61.2754 39.3487 177.0423 89 A 3.7071 8.0463 120.4424 55.0796 18.0100 179.8776 90 R 3.7291 7.6752 116.6742 58.9669 29.9834 178.8482 91 L 4.3304 8.0684 120.2127 58.6200 42.1249 179.3930 92 R 3.8437 7.6620 117.5273 59.1824 29.7866 178.5271 93 Y 3.8952 8.0094 119.4639 60.4870 38.8320 177.8059 94 F 3.6998 8.4899 121.6487 61.3833 39.1371 176.9852 95 Q 4.1766 8.6404 118.0245 58.9666 28.4740 179.2296 96 G 3.4596 8.1529 106.6141 47.8864 0.0000 174.7723 97 Y 4.4172 7.8141 123.2905 59.4311 38.6870 177.9667 98 A 3.7545 7.2826 119.9398 55.3087 18.4567 179.5842 99 R 3.9670 7.4033 114.8794 58.3009 30.6481 177.4780 100 S 4.4313 7.8272 109.4071 57.0245 66.3619 175.6946 101 A 3.8256 8.6623 130.6147 55.3752 18.5032 179.5287 102 Q 3.8953 7.9705 116.3147 59.0724 29.2494 177.6590 103 L 4.2045 7.6432 115.6285 55.9532 42.1181 178.5370 104 R 3.6865 7.5646 116.4077 58.3396 29.1633 178.9403 105 L 3.4435 7.4370 119.8426 57.4408 41.6679 178.8208 106 A 4.1101 7.8131 120.3549 54.8981 18.3413 177.8664 107 P 4.1799 0.0000 0.0000 65.3533 31.3776 178.1199 108 L 3.6513 7.9533 120.6337 58.3839 41.8995 178.5892 109 Y 4.3432 7.5893 116.2014 61.1089 37.7033 178.3320 110 A 4.0777 8.2385 121.9567 55.3714 18.4225 179.8977 111 S 4.0093 8.3319 112.6494 61.3580 63.0476 176.5714 112 A 3.9896 8.3135 124.6237 55.0245 18.1813 179.7146 113 R 4.0847 8.2369 116.4255 59.5314 30.1824 179.2319 114 A 4.1355 8.0093 120.4482 54.9619 18.3492 179.5236 115 L 3.8836 8.3497 119.0226 58.1320 42.2230 179.1171 116 W 4.4906 8.6814 119.3723 59.8214 28.8474 178.2172 117 L 4.0313 8.3152 120.2563 58.1663 41.4746 179.0051 118 L 3.9562 8.0915 118.9572 57.7971 41.4842 179.6830 119 V 3.5804 8.2612 118.3081 65.9576 31.4850 178.0103 120 A 4.0297 8.2651 120.5576 55.1835 18.2538 179.6717 121 L 3.5490 8.2202 117.6329 57.4565 41.5318 179.5842 122 A 4.0776 8.3026 120.8658 55.0590 18.3391 179.5212 123 A 3.9707 8.2323 119.3819 55.3474 18.4319 179.8129 124 L 4.1315 8.0921 117.6684 57.9930 41.7342 180.1054 125 G 3.9201 8.3773 106.9598 47.3845 0.0000 175.8271 126 L 3.9733 8.2400 121.6112 57.3313 41.5574 179.4799 127 L 4.0973 8.7233 119.0931 58.0131 41.4290 179.5153 128 A 4.0382 8.1343 119.2738 55.3061 18.2949 178.9543 129 H 4.1636 8.1449 116.2338 59.2327 30.4025 176.8552 130 F 4.6603 8.3181 118.7864 59.1064 39.3427 178.1151 131 L 4.0182 8.2399 120.4416 57.5654 41.8545 176.9541 132 P 4.2052 0.0000 0.0000 65.8280 31.3417 178.4460 133 A 3.9790 8.0059 118.5830 55.0292 18.2756 179.3587 134 A 3.9881 8.0522 119.1394 55.3168 18.4323 179.9094 135 L 3.9345 8.5003 117.9754 57.7378 41.6590 179.6187 136 R 3.8566 8.3009 118.6999 59.4317 30.0935 178.4641 137 A 3.9749 8.0581 120.2658 54.9664 18.4484 179.2302 138 A 3.9201 8.1785 119.4455 55.4699 18.2538 179.8370 139 L 3.9396 8.0506 116.1353 58.0693 42.1687 179.4137 140 L 4.2170 8.4688 119.4051 57.7081 41.2677 179.7464 141 G 3.7111 7.8024 104.7553 48.1373 0.0000 175.7409 142 R 4.0998 7.7018 118.5311 58.1928 30.1043 178.2366 143 L 4.2714 7.4751 119.8743 57.1192 42.6978 175.1480 144 R 3.7736 8.2170 116.6891 57.1372 28.0248 179.7624 145 T 2.7924 7.6577 120.1697 66.1211 70.4673 173.3899 *146 L 4.1415 7.7029 129.6358 54.8184 41.6354 178.9454 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 -4 H 8.44 4.50 0.00 3.21 3.32 0.00 5.56 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.44 3.99 0.00 3.40 3.47 0.00 5.68 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 8.68 4.88 0.00 3.19 3.35 0.00 5.69 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 -1 H 7.73 4.95 0.00 3.12 3.19 0.00 5.47 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 0 H 8.11 4.95 0.00 3.21 3.25 0.00 5.48 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 1 H 8.59 4.90 0.00 3.20 3.32 0.00 5.63 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.39 4.04 0.00 1.82 1.89 0.00 1.60 0.00 0.00 1.83 0.00 0.00 2.78 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.55 1.43 7.81 3 D 8.16 4.64 0.00 2.80 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 4 E 8.02 4.34 0.00 2.11 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 2.30 2.43 0.00 5 V 7.84 4.36 2.15 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 0.89 0.00 0.00 1.20 0.00 0.00 6 A 8.02 4.08 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 7 L 7.96 3.88 0.00 1.74 1.67 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.78 3.59 0.00 0.64 0.13 0.22 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.01 4.29 1.56 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 10 A 8.26 3.96 1.40 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 11 V 8.03 3.68 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 1.40 0.00 0.00 1.07 0.00 0.00 12 T 8.25 4.09 4.69 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 1.42 0.00 0.00 13 L 8.30 4.03 0.00 1.84 1.85 0.98 0.62 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 14 L 8.25 4.07 0.00 1.93 1.94 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.64 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 0.00 0.00 0.00 0.00 16 V 8.07 3.48 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 1.13 0.00 0.00 1.21 0.00 0.00 17 L 8.05 3.90 0.00 1.87 1.64 0.92 0.35 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 18 L 7.87 3.55 0.00 1.69 1.53 0.62 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.66 3.68 0.00 1.89 1.88 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 1.72 1.23 0.00 20 A 7.99 3.89 1.32 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 21 Y 7.67 3.93 0.00 2.91 2.79 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 22 F 7.42 3.56 0.00 3.06 2.68 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 23 S 8.10 4.14 0.00 4.00 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 24 L 8.20 4.05 0.00 1.68 1.68 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.02 3.99 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 26 V 8.07 3.66 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 1.26 0.00 0.00 1.06 0.00 0.00 27 I 7.76 3.78 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.88 0.94 0.00 0.00 28 S 8.29 4.14 0.00 3.97 4.05 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 29 A 8.44 4.38 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 0.00 0.00 0.00 0.00 0.00 30 R 8.44 3.88 0.00 2.19 2.01 0.00 3.23 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 1.76 2.10 0.00 31 R 8.10 3.81 0.00 1.92 2.07 0.00 3.11 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 32 A 7.81 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.96 4.58 0.00 3.16 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 34 R 7.48 3.63 0.00 1.88 1.95 0.00 3.11 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.50 0.00 35 V 7.30 3.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.41 0.00 0.00 36 S 8.03 4.53 0.00 3.84 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 37 P 0.00 4.30 0.00 2.03 2.01 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 2.11 0.00 38 P 0.00 4.41 0.00 2.17 2.09 0.00 3.70 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 1.96 1.93 0.00 39 L 9.48 3.94 0.00 1.61 2.10 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.09 4.47 3.00 0.00 0.00 0.00 0.00 0.00 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 41 T 8.11 4.89 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 1.19 0.00 0.00 42 G 8.42 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 43 P 0.00 4.29 0.00 2.05 2.21 0.00 3.69 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 1.92 2.12 0.00 44 P 0.00 4.12 0.00 2.12 2.14 0.00 3.56 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 2.10 2.15 0.00 45 E 7.88 3.89 0.00 1.92 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 2.19 2.24 0.00 46 F 7.55 3.52 0.00 2.78 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 47 E 7.86 3.73 0.00 2.09 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 2.47 2.63 0.00 48 R 8.02 3.12 0.00 1.47 1.64 0.00 3.38 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 49 V 6.64 2.87 1.84 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 0.98 0.00 0.00 0.76 0.00 0.00 50 Y 7.05 3.94 0.00 2.42 2.68 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 R 8.07 3.52 0.00 1.52 1.83 0.00 3.45 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 52 A 7.40 3.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 3.85 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 54 V 7.66 3.46 1.71 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 0.86 0.00 0.00 0.27 0.00 0.00 55 N 8.40 4.41 0.00 3.10 3.07 0.00 0.00 7.20 7.43 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 56 C 8.12 4.23 0.00 3.22 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 57 S 8.28 4.32 0.00 4.01 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 58 E 8.39 4.17 0.00 2.05 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 0.00 2.60 2.08 0.00 59 Y 8.20 4.22 0.00 3.15 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 60 F 8.26 4.57 0.00 3.44 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 61 P 0.00 4.19 0.00 2.17 2.05 0.00 3.92 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 62 L 7.84 3.93 0.00 1.98 1.66 0.82 0.83 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 63 F 8.24 3.91 0.00 2.36 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 64 L 7.50 3.39 0.00 1.46 1.52 0.66 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.84 3.95 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 66 T 7.71 3.80 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 1.17 0.00 0.00 67 L 7.68 3.70 0.00 1.15 1.47 0.76 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 68 W 8.02 3.84 0.00 3.52 3.28 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 69 V 8.10 3.83 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 1.05 0.00 0.00 1.00 0.00 0.00 70 A 8.67 4.24 1.38 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 71 G 8.27 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.92 3.86 2.05 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 1.53 0.62 0.41 0.00 0.00 73 F 8.42 4.40 0.00 3.33 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 74 F 7.90 4.59 0.00 3.23 3.21 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 75 H 7.67 4.29 0.00 2.92 3.31 0.00 5.73 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.30 3.93 0.00 1.95 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 2.23 2.19 0.00 77 G 7.89 3.63 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 0.00 0.00 0.00 78 A 8.44 4.06 1.51 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 0.00 0.00 79 A 8.05 3.92 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 80 A 8.03 3.91 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 81 L 8.17 3.92 0.00 2.10 1.86 0.95 1.21 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 82 C 8.50 4.26 0.00 3.07 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 83 G 8.67 4.14 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 84 L 8.17 4.09 0.00 1.93 1.78 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.89 3.72 2.32 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 1.09 0.00 0.00 1.02 0.00 0.00 86 Y 8.40 3.92 0.00 3.20 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 87 L 8.17 3.81 0.00 1.91 1.71 1.15 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.68 4.39 0.00 3.06 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 89 A 8.05 3.71 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 90 R 7.68 3.73 0.00 1.79 2.05 0.00 3.14 0.00 0.00 2.74 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.27 0.00 91 L 8.07 4.33 0.00 1.99 1.84 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.66 3.84 0.00 1.82 1.81 0.00 2.98 0.00 0.00 2.49 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.01 0.00 93 Y 8.01 3.90 0.00 2.99 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 94 F 8.49 3.70 0.00 2.56 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 95 Q 8.64 4.18 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.66 2.86 0.00 96 G 8.15 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.81 4.42 0.00 2.21 2.32 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 98 A 7.28 3.75 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.40 3.97 0.00 1.89 1.97 0.00 3.20 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 1.70 0.00 100 S 7.83 4.43 0.00 3.75 3.57 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 0.00 101 A 8.66 3.83 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 0.00 102 Q 7.97 3.90 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 103 L 7.64 4.20 0.00 1.86 1.61 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 104 R 7.56 3.69 0.00 0.99 1.38 0.00 2.21 0.00 0.00 2.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.36 0.00 105 L 7.44 3.44 0.00 1.63 1.45 0.88 0.86 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 0.00 106 A 7.81 4.11 1.32 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 0.00 107 P 0.00 4.18 0.00 2.42 2.22 0.00 3.61 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.93 0.00 108 L 7.95 3.65 0.00 1.88 1.49 0.42 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 109 Y 7.59 4.34 0.00 3.23 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 0.00 110 A 8.24 4.08 1.32 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 0.00 111 S 8.33 4.01 0.00 3.47 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 0.00 112 A 8.31 3.99 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 0.00 113 R 8.24 4.08 0.00 2.12 2.09 0.00 3.17 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 114 A 8.01 4.14 1.53 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 0.00 115 L 8.35 3.88 0.00 1.96 1.55 0.67 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 116 W 8.68 4.49 0.00 3.46 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 0.00 117 L 8.32 4.03 0.00 1.95 1.92 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.09 3.96 0.00 1.93 1.68 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.26 3.58 2.44 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 1.29 0.00 0.00 0.83 0.00 0.00 120 A 8.27 4.03 1.38 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 0.00 121 L 8.22 3.55 0.00 1.51 1.18 0.73 0.04 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 0.00 122 A 8.30 4.08 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 0.00 0.00 123 A 8.23 3.97 1.40 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 0.00 124 L 8.09 4.13 0.00 1.86 1.94 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 125 G 8.38 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 0.00 126 L 8.24 3.97 0.00 1.86 1.85 0.85 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.72 4.10 0.00 1.96 1.80 1.00 0.80 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 0.00 128 A 8.13 4.04 1.41 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 0.00 129 H 8.14 4.16 0.00 3.25 3.30 0.00 5.94 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 0.00 130 F 8.32 4.66 0.00 3.16 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 0.00 131 L 8.24 4.02 0.00 1.98 1.75 0.96 0.96 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 P 0.00 4.21 0.00 2.19 2.10 0.00 3.67 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 2.23 2.18 0.00 133 A 8.01 3.98 1.34 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 0.00 134 A 8.05 3.99 1.44 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 0.00 135 L 8.50 3.93 0.00 1.80 1.74 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.30 3.86 0.00 1.91 2.07 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 137 A 8.06 3.97 1.38 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 0.00 138 A 8.18 3.92 1.41 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 0.00 139 L 8.05 3.94 0.00 1.88 1.75 0.98 0.93 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 0.00 140 L 8.47 4.22 0.00 1.65 1.73 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 141 G 7.80 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 0.00 142 R 7.70 4.10 0.00 1.82 2.01 0.00 3.35 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 143 L 7.48 4.27 0.00 1.65 1.87 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 144 R 8.22 3.77 0.00 1.93 2.02 0.00 3.22 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 145 T 7.66 2.79 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 *146 L 7.70 4.14 0.00 1.41 1.48 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.