NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.8246 8.2816 116.1818 57.3786 63.9601 176.2107 3 L 3.1093 8.4947 134.2593 54.3941 42.8363 169.5829 4 I 5.0565 7.7064 120.8220 59.3341 40.5073 175.1185 5 R 4.7527 8.9428 122.1471 54.0997 33.4847 174.4902 6 S 4.6869 8.8227 115.3088 59.1482 63.2792 174.6349 7 A 4.6533 8.6916 125.6883 52.3152 19.3118 176.4833 8 T 4.7030 8.9173 108.8769 58.7796 72.2556 175.3292 9 K 3.9141 7.9369 120.2022 59.1455 31.5786 178.9686 10 E 4.1576 7.9676 116.1529 58.4613 30.0170 177.8556 11 D 4.6674 8.4330 119.7401 55.6140 40.8979 178.3693 12 G 4.2039 7.9055 107.5369 48.0936 0.0000 175.8891 13 Q 4.0217 8.1572 120.5481 58.1063 28.8540 178.8141 14 A 4.0052 7.9413 121.3147 55.2064 18.5451 179.3621 15 I 3.6431 7.9787 118.2510 64.6306 37.2369 178.3425 16 A 4.0021 8.2456 121.4884 55.4648 17.9747 179.9417 17 R 3.9184 7.7240 115.0031 59.3343 29.9805 179.0366 18 L 4.1378 7.8354 118.4904 57.6952 41.6379 179.6794 19 V 3.3294 7.9059 118.4331 65.6107 31.1486 177.7983 20 L 3.9887 7.8062 119.4055 58.0153 41.9667 178.8822 21 V 3.7410 7.5252 117.9436 66.1033 31.2113 177.6586 22 I 3.7246 7.6714 118.0792 63.5352 37.3617 176.3990 23 L 4.0423 7.1612 119.8473 56.0807 41.7561 175.8562 24 K 4.3075 8.3370 127.9251 57.5721 30.0715 178.3168 25 D 4.8143 7.7947 116.3937 54.2449 39.4760 178.8842 26 M 4.6736 7.9194 117.5508 56.4104 34.0906 176.3027 27 E 3.6840 8.3735 108.0627 57.5764 26.9555 177.0140 28 L 4.5549 7.6295 125.6193 53.0833 43.6209 175.5945 29 P 4.1538 0.0000 0.0000 66.4525 31.0724 179.1105 30 I 3.9251 7.8934 115.5571 62.6496 35.5702 179.8678 31 L 4.2026 7.9072 120.9758 58.2790 41.6357 178.2849 32 E 4.3286 7.4835 112.5994 56.1464 30.5798 178.6461 33 E 4.3884 9.3805 120.8404 55.4268 29.2176 175.3422 34 V 4.5067 6.7621 113.3976 58.8694 34.1380 176.2294 35 S 4.4427 8.5122 120.1436 58.7483 65.0862 175.8262 36 E 4.0328 8.7229 122.4682 61.2378 29.2815 180.1507 37 E 4.1110 8.0705 119.0892 59.4537 29.8543 178.6953 38 Q 4.0029 7.7516 116.1937 58.9594 28.8822 177.8029 39 M 3.9736 8.4400 120.9246 58.4037 32.1912 178.2661 40 I 3.7349 7.5983 119.9886 64.5281 37.3396 178.1354 41 D 4.4425 7.8383 119.8375 57.1364 40.5690 178.9856 42 L 3.8367 8.0525 119.6668 57.7844 41.8044 179.4929 43 L 4.0559 8.0319 118.6799 57.6569 41.3297 179.2760 44 A 4.2138 8.3737 120.0561 55.4222 18.4883 178.9900 45 E 4.0713 8.3671 117.4207 59.4320 29.8111 178.9046 46 A 3.9883 8.1275 120.9357 54.8814 18.1500 179.5421 47 T 4.5781 8.3790 109.0773 64.1510 68.5892 176.4090 48 A 4.4391 7.9398 122.9222 53.5108 18.5853 176.8099 49 Y 4.3818 8.1695 116.6101 56.4350 37.8524 174.8346 50 P 4.0119 0.0000 0.0000 65.1479 31.2063 177.3199 51 T 4.2203 7.9108 108.0438 62.2002 69.7533 174.1275 52 Y 4.4661 8.0878 124.7488 57.5566 39.5294 176.3977 53 R 3.3071 7.5568 127.0382 59.3600 30.1304 178.2859 54 Y 4.7923 5.5046 114.2104 57.4085 38.8113 176.0625 55 G 4.1038 8.0710 109.3534 45.3385 0.0000 174.9930 56 Y 4.2345 9.1326 121.0676 60.0545 37.8374 178.7635 57 Q 3.8592 6.8399 119.1761 57.7557 29.3831 176.1656 58 R 4.6972 8.2320 115.8405 56.2380 31.6847 175.4066 59 I 5.0384 7.9237 121.3915 59.5107 40.1609 174.4264 60 L 5.0970 9.1506 127.1937 53.2280 44.0350 175.4861 61 V 4.7279 9.1090 123.7154 61.2812 34.0649 173.6667 62 Y 4.5377 8.8931 129.8457 56.8419 40.0874 173.3418 63 E 5.0485 8.8155 128.6978 54.7854 32.1937 174.1024 64 H 4.9657 8.7891 125.6025 55.0535 33.8308 173.0062 65 A 3.7093 9.4209 127.7212 53.2942 15.9507 178.1123 66 G 3.9682 8.5044 106.8833 46.8110 0.0000 173.9691 67 E 4.6133 7.8467 119.1537 54.0002 32.3110 175.9605 68 V 4.0480 8.1804 120.9014 62.8421 30.7600 175.3271 69 A 4.0236 8.9397 131.0498 53.9659 20.0508 176.6183 70 G 4.4507 7.7172 100.8141 45.8976 0.0000 172.3098 71 I 5.4537 8.8378 112.4902 59.0662 41.6874 174.0612 72 A 5.1170 9.1120 125.5846 50.3512 21.7621 175.0519 73 V 4.8382 8.5935 123.4041 61.5962 34.1285 175.0783 74 G 3.0813 8.1535 113.1845 46.0375 0.0000 171.4369 75 Y 4.3804 5.4658 114.8767 54.8979 41.5587 172.1729 76 P 4.5701 0.0000 0.0000 62.9335 31.9691 177.3034 77 A 4.0104 9.0522 127.3943 55.2986 18.4419 179.3720 78 E 4.1235 8.0752 111.9021 58.5470 30.0844 177.4166 79 D 4.4770 8.2292 119.4715 55.3263 41.2298 177.7710 80 E 3.6188 7.6425 120.3416 58.8190 29.5958 177.7239 81 K 4.1706 7.8700 115.4656 57.3085 32.9010 177.1676 82 I 4.2258 7.7380 120.1936 61.8301 38.5878 177.9873 83 I 3.9469 7.3127 113.1181 62.7229 37.6800 177.1831 84 D 4.6408 7.8134 119.3662 55.1341 41.7901 177.7601 85 E 3.8804 7.7989 119.6358 59.0381 29.4793 176.9249 86 P 3.6978 0.0000 0.0000 65.3027 31.1664 178.2945 87 L 3.7711 7.3666 119.1589 57.8517 41.8987 179.2659 88 R 3.8054 7.6617 117.7564 59.1248 30.0885 178.3964 89 E 3.9064 7.9717 119.0477 59.2513 29.4987 178.9974 90 V 3.6520 7.6432 118.2773 65.9981 31.5304 177.7500 91 F 3.8591 8.6831 117.8887 60.4870 38.7444 177.6138 92 K 3.9567 8.2131 118.8878 59.6867 31.8816 178.7280 93 K 3.8328 7.8951 117.2258 59.7494 32.0578 177.8883 94 H 4.6131 7.8760 113.2731 54.9426 28.8669 175.6631 95 G 3.8979 7.9437 108.8274 46.4596 0.0000 174.3999 96 L 4.5303 7.7526 121.2505 52.7749 43.8379 175.4076 97 A 3.9696 8.9309 121.8338 53.7590 18.4980 177.8601 98 E 4.1382 9.0705 123.0764 59.0409 30.1653 177.5656 99 D 4.8494 7.6286 117.0047 52.5204 40.5498 175.0296 100 V 3.7069 7.3234 119.2351 61.7919 32.6514 175.6019 101 R 4.0362 8.4621 126.8144 56.0814 30.1666 175.8349 102 L 4.6747 8.1355 124.6661 52.6788 44.9297 176.8593 *103 F 3.9570 8.5792 118.5998 57.6349 38.2573 177.2801 104 I 4.3967 8.0749 130.5020 59.2223 37.2002 174.8361 105 E 4.5784 7.6883 123.1852 54.7697 32.4677 175.2149 106 E 4.2153 8.6363 122.3938 55.5686 30.3975 173.8981 107 E 4.5541 8.3506 118.2579 54.7039 30.9919 175.1300 108 T 4.4722 7.4515 112.9352 60.2726 69.7368 172.8160 109 L 4.7658 8.3609 124.9829 51.9875 44.2918 175.9828 110 P 4.0052 0.0000 0.0000 65.7271 31.2035 176.8633 111 N 4.8630 8.1556 113.3590 52.3628 37.7109 173.5630 112 E 5.0225 7.6508 116.6856 54.4153 33.4051 174.7097 113 W 4.5731 9.0378 132.6566 57.5219 32.0876 174.0953 114 Y 4.7797 8.5472 129.6873 56.2700 39.8843 174.1992 115 L 3.6167 8.1380 129.8918 54.5872 41.4737 176.0888 116 D 4.2426 7.7529 126.5437 56.7785 41.3899 176.0571 117 T 4.5613 7.4366 110.8889 60.9650 71.0268 171.6131 118 I 4.9267 8.3959 127.6416 59.8459 39.5323 174.9252 119 S 4.8570 8.8123 123.4604 56.5125 65.9649 173.4627 120 V 4.6473 8.2001 123.2959 60.6380 33.8813 174.7745 121 D 4.5485 9.3327 127.8063 54.2167 41.7592 177.0298 122 E 3.9778 8.8764 125.4331 59.6219 29.6048 178.6112 123 R 3.8631 8.3243 116.3762 57.7922 30.0735 177.0215 124 F 4.8768 7.9475 116.7298 57.0247 39.8484 175.6839 125 R 4.0867 7.9640 119.0349 57.2024 30.5331 177.0331 126 G 3.8967 8.7705 107.1241 46.4047 0.0000 174.0318 127 M 4.3500 7.9460 116.4347 54.4476 32.9343 176.7745 128 G 3.9130 8.1497 107.2937 46.2027 0.0000 175.5187 129 I 3.1611 7.6604 121.8455 64.1145 36.9956 178.3238 130 G 3.6550 7.9392 105.8592 47.8984 0.0000 175.4985 131 S 4.1839 7.9443 115.0262 60.9052 62.3204 176.0916 132 K 3.9985 8.0133 120.3022 59.6091 32.2469 178.7668 133 L 4.1984 8.5649 119.4552 57.8997 41.4719 179.3329 134 L 4.0061 8.0640 120.0914 58.4224 41.7997 178.8367 135 D 4.4787 7.8273 117.0529 56.6087 39.7052 177.6396 136 A 4.2810 7.8302 119.8622 52.9958 18.7292 178.9601 137 L 3.9623 7.6312 117.9098 56.4862 41.9586 177.0612 138 P 4.0819 0.0000 0.0000 65.6895 31.1500 178.3115 139 E 3.9351 7.9343 115.7213 58.9778 29.4445 179.1963 140 V 3.2714 6.7292 115.9381 65.6219 31.8444 177.4218 141 A 3.5740 7.4048 120.6000 54.8941 18.1364 179.5881 142 K 3.8119 7.8741 117.7747 59.5929 32.1446 178.8719 143 A 4.1164 8.0739 120.0918 54.3296 18.2650 178.5756 144 S 4.6277 7.5448 110.5804 57.6383 63.5248 174.7046 145 G 3.9087 8.0725 110.2365 46.5577 0.0000 174.1374 146 K 4.4831 7.3783 118.1635 55.2593 33.3437 177.0202 147 Q 4.3484 8.5851 118.7329 57.8389 30.3220 175.1844 148 A 5.2264 8.0001 120.0339 49.7802 23.1747 174.4843 149 L 5.2374 9.0116 121.7635 53.3517 44.4257 175.7378 150 G 4.9508 9.6205 113.0571 43.8268 0.0000 171.1854 151 L 4.6595 8.3666 119.5288 54.8392 44.4043 173.3532 152 N 5.5498 8.5602 116.3516 51.4494 41.2996 174.2719 153 V 4.6838 8.7748 123.4767 60.7029 34.6561 174.3169 154 D 4.3626 8.9850 127.1861 54.3450 41.7429 176.7489 155 F 4.0175 8.8066 124.5524 61.1701 39.0739 176.3209 156 D 4.6692 9.0845 117.2986 54.6536 41.2790 176.2953 157 N 5.0383 7.9937 118.0283 51.5438 38.6448 173.5645 158 P 4.4114 0.0000 0.0000 65.4604 31.8806 178.7271 159 G 3.4520 7.9492 105.5499 47.3541 0.0000 175.6176 160 A 3.4787 7.7644 123.1874 54.7176 18.3530 179.3778 161 R 3.7714 7.5663 117.2425 59.7364 30.0063 178.5816 162 K 3.8536 8.1229 119.2656 59.1267 31.9280 178.2053 163 L 3.8498 7.5328 119.8611 58.5551 42.2099 178.2627 164 Y 4.4980 7.7270 116.2696 61.2781 37.9795 178.4700 165 A 4.5383 9.0551 123.5329 54.7767 18.1826 179.8545 166 S 4.2252 8.1543 111.6039 60.9615 63.0104 175.8316 167 K 4.5365 7.9065 120.2230 56.0308 32.1147 177.5013 168 G 3.9631 8.0299 107.5648 44.8143 0.0000 174.2601 169 F 4.5028 8.3037 119.0483 57.3689 40.2644 174.4998 170 K 4.8221 9.3104 121.9861 54.2951 35.7037 175.4176 171 D 4.7109 8.8078 122.6362 55.0103 40.9539 175.8513 172 V 4.2980 8.5360 121.5051 64.8887 34.1465 174.8773 173 T 4.6368 7.3758 113.8047 63.4459 72.7793 172.1786 174 T 5.4214 8.5759 117.3141 62.8462 72.3080 173.6928 175 M 4.9873 9.2659 123.1002 54.0086 36.9582 174.1599 176 T 5.2739 8.5365 117.3689 62.0363 71.0013 174.1558 177 I 4.5432 8.7778 126.7336 60.9178 40.6944 175.6348 178 S 3.9718 9.8283 121.2613 59.4864 60.7789 172.1481 179 G 3.9033 8.3575 102.2847 46.7991 0.0000 173.9839 180 H 4.8812 8.0394 113.6437 53.8661 34.0571 174.2799 181 L 4.6870 8.0195 120.9090 54.1497 43.5774 175.2627 182 Y 5.3814 8.5561 118.6014 56.6003 42.9610 173.9578 183 N 5.1105 9.5063 121.3674 52.9845 40.4244 173.6531 184 H 5.2485 9.2640 124.9250 55.6587 31.2116 173.8377 185 M 5.4472 9.1067 125.7482 53.8454 35.5445 174.9822 186 Q 5.3314 9.2386 118.9697 54.2026 34.0009 174.0536 187 K 4.4550 8.5790 122.3236 54.1971 35.0674 174.9192 188 E 4.4758 8.7435 128.6144 56.5399 29.6947 176.4265 189 V 4.1602 8.7461 121.2119 62.2683 34.7403 176.3883 *190 E 4.1047 8.0997 119.9821 56.0079 30.3153 179.4631 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 S 8.28 4.82 0.00 3.90 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.49 3.11 0.00 1.72 1.46 0.85 0.61 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 4 I 7.71 5.06 1.82 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.61 0.92 0.00 0.00 5 R 8.94 4.75 0.00 1.80 1.92 0.00 2.77 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 6 S 8.82 4.69 0.00 3.82 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 7 A 8.69 4.65 1.47 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 8 T 8.92 4.70 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 1.23 0.00 0.00 9 K 7.94 3.91 0.00 1.58 1.77 0.00 1.40 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 0.46 7.81 10 E 7.97 4.16 0.00 2.11 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 2.25 2.32 0.00 11 D 8.43 4.67 0.00 2.95 2.80 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 12 G 7.91 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 0.00 0.00 0.00 0.00 13 Q 8.16 4.02 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 14 A 7.94 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.98 3.64 2.09 0.00 0.00 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 1.53 0.76 0.99 0.00 0.00 16 A 8.25 4.00 1.46 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 17 R 7.72 3.92 0.00 1.86 2.02 0.00 3.20 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 18 L 7.84 4.14 0.00 1.79 1.69 0.96 0.95 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 19 V 7.91 3.33 1.93 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 0.48 0.00 0.00 0.04 0.00 0.00 20 L 7.81 3.99 0.00 1.92 1.82 0.93 0.86 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 21 V 7.53 3.74 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 0.98 0.00 0.00 0.97 0.00 0.00 22 I 7.67 3.72 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.64 1.00 0.00 0.00 23 L 7.16 4.04 0.00 1.69 1.67 1.02 1.01 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 24 K 8.34 4.31 0.00 2.06 2.09 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.40 7.81 25 D 7.79 4.81 0.00 2.64 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 26 M 7.92 4.67 0.00 1.95 2.17 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 27 E 8.37 3.68 0.00 2.06 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 2.19 2.10 0.00 28 L 7.63 4.55 0.00 1.66 1.61 0.95 0.96 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 29 P 0.00 4.15 0.00 2.14 2.09 0.00 3.98 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 30 I 7.89 3.93 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 1.41 0.73 0.91 0.00 0.00 31 L 7.91 4.20 0.00 1.77 1.80 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.48 4.33 0.00 2.08 1.72 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 2.23 2.11 0.00 33 E 9.38 4.39 0.00 2.32 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.82 0.00 34 V 6.76 4.51 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.83 0.00 0.00 35 S 8.51 4.44 0.00 4.07 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 36 E 8.72 4.03 0.00 1.99 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 2.32 1.94 0.00 37 E 8.07 4.11 0.00 2.02 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 2.36 2.36 0.00 38 Q 7.75 4.00 0.00 2.28 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.26 0.00 39 M 8.44 3.97 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.69 0.00 40 I 7.60 3.73 2.03 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 1.86 0.74 0.92 0.00 0.00 41 D 7.84 4.44 0.00 2.70 2.66 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 42 L 8.05 3.84 0.00 1.69 1.50 0.29 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.03 4.06 0.00 1.91 1.84 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.37 4.21 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 45 E 8.37 4.07 0.00 2.20 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 0.00 2.46 2.41 0.00 46 A 8.13 3.99 0.68 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 47 T 8.38 4.58 4.55 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 0.00 0.00 0.00 1.63 0.00 0.00 48 A 7.94 4.44 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 49 Y 8.17 4.38 0.00 3.29 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 50 P 0.00 4.01 0.00 2.10 2.03 0.00 3.87 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 51 T 7.91 4.22 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 1.24 0.00 0.00 52 Y 8.09 4.47 0.00 3.06 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.56 3.31 0.00 1.10 0.66 0.00 2.40 0.00 0.00 2.65 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 54 Y 5.50 4.79 0.00 3.07 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 55 G 8.07 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 56 Y 9.13 4.23 0.00 3.29 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 57 Q 6.84 3.86 0.00 1.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.04 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 58 R 8.23 4.70 0.00 1.85 2.26 0.00 3.34 0.00 0.00 3.39 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 59 I 7.92 5.04 2.15 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.14 1.02 0.00 0.00 60 L 9.15 5.10 0.00 1.82 1.62 0.93 0.51 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 61 V 9.11 4.73 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 1.04 0.00 0.00 1.05 0.00 0.00 62 Y 8.89 4.54 0.00 3.13 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 63 E 8.82 5.05 0.00 1.94 1.64 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 2.13 2.32 0.00 64 H 8.79 4.97 0.00 3.27 2.67 0.00 5.79 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 65 A 9.42 3.71 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 66 G 8.50 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 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 T 7.44 4.56 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 118 I 8.40 4.93 1.88 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 1.37 0.78 0.93 0.00 0.00 119 S 8.81 4.86 0.00 3.78 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 0.00 120 V 8.20 4.65 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 0.79 0.00 0.00 0.91 0.00 0.00 121 D 9.33 4.55 0.00 2.88 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 0.00 122 E 8.88 3.98 0.00 1.98 1.98 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 2.32 2.28 0.00 123 R 8.32 3.86 0.00 1.25 1.23 0.00 2.91 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 124 F 7.95 4.88 0.00 2.99 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 0.00 125 R 7.96 4.09 0.00 1.78 1.84 0.00 3.52 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.55 0.00 126 G 8.77 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 0.00 127 M 7.95 4.35 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 128 G 8.15 3.91 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 0.00 0.00 0.00 129 I 7.66 3.16 1.60 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 -0.29 0.08 0.46 0.00 0.00 130 G 7.94 3.65 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 0.00 0.00 0.00 131 S 7.94 4.18 0.00 3.92 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 0.00 132 K 8.01 4.00 0.00 2.11 2.09 0.00 1.92 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.80 7.81 133 L 8.56 4.20 0.00 1.82 1.79 1.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.06 4.01 0.00 1.98 1.92 0.84 1.24 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 0.00 135 D 7.83 4.48 0.00 2.87 2.74 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 0.00 136 A 7.83 4.28 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 0.00 137 L 7.63 3.96 0.00 1.78 1.48 1.01 1.31 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 0.00 138 P 0.00 4.08 0.00 2.07 2.01 0.00 3.72 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 139 E 7.93 3.94 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.25 0.00 140 V 6.73 3.27 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 0.20 0.00 0.00 0.80 0.00 0.00 141 A 7.40 3.57 1.20 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 0.00 0.00 0.00 142 K 7.87 3.81 0.00 1.91 1.87 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.41 7.81 143 A 8.07 4.12 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 0.00 144 S 7.54 4.63 0.00 4.22 4.21 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 0.00 145 G 8.07 3.91 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 0.00 0.00 0.00 146 K 7.38 4.48 0.00 1.86 1.84 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.60 1.78 7.81 147 Q 8.59 4.35 0.00 2.13 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 148 A 8.00 5.23 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 0.00 149 L 9.01 5.24 0.00 1.61 1.48 1.01 1.39 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 0.00 150 G 9.62 4.95 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 0.00 151 L 8.37 4.66 0.00 1.40 1.40 0.52 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 152 N 8.56 5.55 0.00 2.45 2.60 0.00 0.00 6.62 7.68 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 0.00 153 V 8.77 4.68 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 1.22 0.00 0.00 1.21 0.00 0.00 154 D 8.98 4.36 0.00 2.74 2.50 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 0.00 155 F 8.81 4.02 0.00 2.84 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 0.00 156 D 9.08 4.67 0.00 2.72 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 0.00 157 N 7.99 5.04 0.00 2.68 2.67 0.00 0.00 6.94 7.22 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 0.00 158 P 0.00 4.41 0.00 2.25 2.24 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 159 G 7.95 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 A 7.76 3.48 1.12 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 0.00 0.00 161 R 7.57 3.77 0.00 1.90 2.04 0.00 3.12 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 162 K 8.12 3.85 0.00 1.85 1.77 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.41 7.81 163 L 7.53 3.85 0.00 1.62 1.41 0.89 0.82 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 0.00 164 Y 7.73 4.50 0.00 3.02 2.50 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 0.00 165 A 9.06 4.54 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 S 8.15 4.23 0.00 4.06 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 0.00 167 K 7.91 4.54 0.00 2.23 2.05 0.00 1.92 0.00 0.00 1.89 0.00 0.00 3.14 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.53 1.69 7.81 168 G 8.03 3.96 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 0.00 0.00 0.00 169 F 8.30 4.50 0.00 3.22 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 0.00 170 K 9.31 4.82 0.00 1.65 1.71 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.54 7.81 171 D 8.81 4.71 0.00 2.60 2.66 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 0.00 172 V 8.54 4.30 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.07 0.00 0.00 173 T 7.38 4.64 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 174 T 8.58 5.42 4.36 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 1.30 0.00 0.00 175 M 9.27 4.99 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 176 T 8.54 5.27 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 1.25 0.00 0.00 177 I 8.78 4.54 1.78 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.28 0.84 0.00 0.00 178 S 9.83 3.97 0.00 4.11 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 0.00 179 G 8.36 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 0.00 180 H 8.04 4.88 0.00 3.36 2.66 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 L 8.02 4.69 0.00 0.41 0.13 0.49 0.52 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 0.00 182 Y 8.56 5.38 0.00 3.01 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 0.00 183 N 9.51 5.11 0.00 2.77 2.97 0.00 0.00 6.47 7.75 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 0.00 184 H 9.26 5.25 0.00 3.32 3.27 0.00 5.53 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 M 9.11 5.45 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.80 0.00 186 Q 9.24 5.33 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 187 K 8.58 4.46 0.00 0.79 0.74 0.00 1.06 0.00 0.00 1.18 0.00 0.00 2.61 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.94 1.02 7.81 188 E 8.74 4.48 0.00 2.24 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.91 0.00 189 V 8.75 4.16 2.00 0.00 0.00 0.00 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 0.93 0.00 0.00 *190 E 8.10 4.10 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.