NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 I 4.1311 8.0093 114.2708 59.6768 38.8838 174.9181 7 P 4.2856 0.0000 0.0000 61.8377 31.7920 171.3434 8 V 3.7047 8.3393 112.8633 61.6563 32.9288 177.0543 9 V 4.3507 8.0966 122.8642 61.4758 33.4022 174.9325 10 H 4.9369 8.6616 124.6797 54.8003 30.1721 174.6330 11 D 4.6577 8.5467 120.2278 53.8166 41.6255 174.9797 12 P 4.3218 0.0000 0.0000 63.3279 32.1428 177.6115 13 K 3.7828 8.9554 124.5328 58.5347 33.3745 178.2399 14 G 3.7430 7.9849 107.2379 44.7858 0.0000 171.4278 15 E 4.5005 8.3005 116.9584 53.9995 31.3191 175.3454 16 A 4.6346 8.3650 125.7204 51.9849 18.6121 177.0500 17 V 4.6506 8.5235 121.8211 61.3132 34.8710 174.0050 18 L 5.0504 8.3986 125.3287 52.1360 44.3143 174.6730 19 P 4.6656 0.0000 0.0000 62.9229 32.6190 176.0857 20 S 4.5344 9.0686 120.2800 57.7684 63.3927 175.1836 21 V 4.3555 8.6079 117.9489 59.9233 33.4877 176.0154 22 F 4.0787 7.7733 116.5782 58.9069 35.9058 175.3426 23 E 4.5421 8.4209 117.9564 56.5209 29.9959 176.3379 24 D 4.7697 8.1267 117.5962 52.8709 39.6402 177.2131 25 G 3.9693 8.5169 106.3536 46.2071 0.0000 173.1598 26 T 4.9205 7.8343 108.2730 59.5517 71.7881 174.1177 27 R 4.5362 9.0593 118.9485 56.2862 30.6274 177.0117 28 Q 3.6713 8.9213 116.8226 55.8022 26.8564 175.5840 29 G 3.9746 8.7846 105.2154 44.8930 0.0000 174.0470 30 W 4.7505 8.2319 119.8601 56.6988 30.1967 175.0364 31 D 4.4736 8.8175 121.8570 52.8563 45.0939 173.8555 32 W 5.0227 8.3703 120.6183 56.0735 29.9185 176.7751 33 A 4.3877 9.3188 126.4831 51.9308 18.5509 178.9074 34 G 3.7233 9.1372 109.8028 48.2839 0.0000 174.2014 35 E 4.5075 8.0784 115.1469 55.7418 29.9849 175.9150 36 S 4.1464 7.9020 114.9347 58.6998 62.7145 174.6422 37 G 4.0596 8.3147 115.1958 46.2144 0.0000 173.6720 38 V 4.1286 6.9913 119.1803 60.8873 33.7138 175.1538 39 K 3.0352 7.7803 127.5879 55.6756 33.1635 176.4787 40 T 4.2439 7.6534 108.1882 60.6629 69.8902 173.5061 41 A 4.2833 8.5977 123.8308 52.5193 19.0985 176.9386 42 L 4.8532 9.0588 123.2027 53.7426 43.3983 175.8824 43 T 5.0701 8.8175 113.5857 59.9360 73.1065 172.7085 44 I 4.8564 8.8460 123.3461 60.1852 38.0856 175.4817 45 E 4.8745 9.2086 126.2990 54.1090 34.1623 174.7176 46 E 4.5683 8.8237 122.9776 56.1530 30.8416 176.0601 47 A 3.7519 8.6824 129.4009 51.2548 21.7949 175.4909 48 N 4.1573 9.2563 122.3459 54.6502 37.3528 174.7265 49 G 3.8677 8.7582 101.1124 45.4090 0.0000 173.3750 50 S 4.7081 7.5832 112.5568 56.1817 66.3828 172.9334 51 N 5.1258 8.5657 122.3005 53.4040 39.0196 174.5184 52 A 4.8118 9.1244 123.8591 49.8390 23.6390 174.9720 53 L 4.0621 7.3710 122.3782 55.0432 43.2224 175.9749 54 S 5.0929 9.2009 119.7135 56.3631 66.4475 172.3671 55 W 5.6264 7.8354 120.6097 55.6947 31.5528 172.6838 56 E 5.2895 8.5545 119.3636 54.8776 32.2696 175.1797 57 F 4.7519 8.4729 116.0160 56.6857 41.6924 172.7051 58 G 4.1319 8.5070 105.2165 44.6900 0.0000 171.6921 59 Y 5.0002 8.4440 120.8171 56.5076 38.8792 174.7271 60 P 4.6972 0.0000 0.0000 62.3734 32.8794 173.9774 61 E 4.4038 8.2490 113.1676 57.9126 31.4817 176.5751 *68 W 5.0292 7.7723 117.8604 55.0137 31.5097 177.1997 69 A 4.1038 8.2378 122.5961 54.9564 17.9598 178.9037 70 T 4.4473 8.0094 102.6341 61.4704 69.6322 173.9380 71 A 4.8352 7.7746 125.7629 50.0258 19.9703 175.6666 72 P 4.1503 0.0000 0.0000 63.3294 32.9140 175.9050 73 R 4.9889 8.9951 121.8148 54.4727 33.2111 174.8700 74 L 4.7389 8.8908 124.4480 54.5919 43.0253 176.3970 75 D 4.8791 9.3325 120.2855 52.8285 45.4994 174.0606 76 F 4.4674 8.4854 126.2998 56.3672 42.3106 172.9877 77 W 4.7918 8.4384 126.4752 54.7905 30.7857 176.0601 78 K 4.3694 8.3715 123.9832 54.8162 34.8270 176.8564 79 S 4.1730 8.8846 121.7259 60.8237 63.1156 174.5257 80 D 4.7229 7.7510 118.2754 52.5386 39.6114 175.6289 81 L 4.0008 7.6299 122.7876 55.6429 42.1539 176.3270 82 V 4.6707 7.5445 118.0823 59.3440 36.0694 175.5291 83 R 3.7411 8.4223 122.1841 57.6737 30.9933 177.1634 84 G 3.7470 7.6364 107.0409 46.8159 0.0000 173.7453 85 E 4.4678 8.6882 123.6986 56.2443 29.9537 176.2764 86 N 4.7601 7.8368 116.5908 53.8452 39.4315 174.6619 87 D 4.7750 9.1609 120.3560 54.7492 43.5737 175.7222 88 Y 5.2459 7.8135 114.5603 56.2149 42.9787 173.9934 89 V 4.5581 8.6163 122.0231 61.4139 33.8107 174.7444 90 T 5.1936 8.8863 117.6832 60.1788 72.4260 172.6358 91 F 5.4923 8.1461 116.2591 56.4118 41.9301 172.6816 92 D 5.1103 9.1812 120.8326 53.9558 42.3154 175.2709 93 F 5.7624 9.0269 125.1499 56.7582 42.6927 173.1366 94 Y 5.3612 8.9757 123.0500 56.1606 41.7580 174.4696 95 L 5.1607 9.0893 122.2286 53.1461 45.7545 175.1923 96 D 5.5920 9.7760 123.8249 50.6589 42.0341 172.7986 97 P 4.5372 0.0000 0.0000 62.4866 31.9862 176.6604 98 V 3.8653 8.2887 122.4533 64.8402 32.6045 176.4355 99 R 4.4949 7.1651 119.6163 54.5537 33.4670 174.4666 100 A 4.6523 8.2601 126.5478 52.1312 19.6624 175.3419 101 T 4.6840 9.4765 109.8661 61.5184 70.7400 174.0178 102 E 4.9419 7.6035 118.5777 56.6428 32.8343 176.1244 103 G 4.1984 9.8115 106.3812 45.9386 0.0000 170.6526 104 A 4.4082 8.0386 123.1293 51.3579 24.6836 175.9958 *106 N 4.8022 8.7889 111.4513 54.2362 40.7824 173.5847 107 I 4.7390 8.8986 124.5078 59.5969 39.6614 174.5347 108 N 5.3796 8.7160 123.5885 51.1759 43.0893 172.9914 109 L 4.7078 8.2768 122.5097 53.1747 45.0298 175.1630 110 V 4.4655 7.8269 124.7955 60.9633 34.4700 174.2835 111 F 5.3605 8.5907 124.8716 54.4406 42.4684 174.8320 112 Q 5.0512 7.9577 116.6848 52.9793 27.8793 174.7086 113 P 4.4198 0.0000 0.0000 61.5514 32.3706 176.4238 114 P 2.9911 0.0000 0.0000 65.2526 31.3357 177.6233 115 T 4.0271 7.6578 106.1842 63.1698 69.4353 174.1755 116 N 4.8932 7.8763 121.3855 53.0745 39.2286 175.3042 117 G 3.8973 8.6875 102.0507 46.5583 0.0000 173.7393 118 Y 3.7411 7.7983 113.9108 57.7919 35.2504 169.1264 119 W 4.8584 7.9944 128.1597 56.9594 33.8652 173.9835 120 V 4.7368 8.7701 120.5404 59.6514 35.7540 174.3054 121 Q 4.8734 8.6155 123.8227 53.7157 32.0571 174.8021 122 A 4.1876 8.6637 128.3331 51.6637 18.8125 176.9342 123 P 4.2005 0.0000 0.0000 64.9570 31.7907 176.9510 124 K 4.5258 7.2467 114.8712 55.0339 33.4871 175.8224 125 T 4.5074 8.2521 119.2390 62.7175 70.2737 173.4553 126 Y 4.3577 8.6789 127.1805 56.6224 40.3328 174.1304 127 T 4.7561 7.7989 123.1258 61.6954 71.2033 173.5012 128 I 4.0049 7.9934 126.3788 59.3646 39.9104 173.8426 129 N 4.6677 8.2551 126.0078 51.8338 39.7705 175.5020 130 F 4.5430 8.7397 126.3769 60.0169 39.1976 176.4095 131 D 4.6962 8.5746 119.8718 55.5323 40.8597 176.8807 132 E 4.6728 8.0507 119.7001 55.8814 30.6696 178.2904 133 L 4.0424 8.2044 122.1023 57.7640 41.8017 179.0620 134 E 4.3254 8.1865 114.4496 57.9672 29.8695 177.1482 135 E 4.2458 7.8678 118.1317 57.3564 30.1657 176.4348 136 A 4.3263 7.6389 120.7064 51.1453 19.6667 177.2348 137 N 4.5669 8.4320 117.7237 53.5898 39.6175 174.2453 138 Q 4.8896 8.2679 119.6259 55.3253 31.8156 174.4631 139 V 3.9831 8.2219 120.5919 61.9799 33.7075 175.0577 140 N 3.8599 9.7173 127.8990 54.4381 35.5452 175.4690 141 G 3.6277 8.1059 103.1543 45.3301 0.0000 171.8375 142 L 4.7220 7.3408 122.8274 53.5680 43.5142 174.7553 143 Y 5.0283 9.0009 125.3397 57.1645 39.8510 174.2679 144 H 5.1202 8.8840 123.5340 54.4903 32.5005 172.5301 145 Y 4.5277 8.9672 122.7312 56.3049 41.7089 174.8038 146 E 4.5626 8.6908 123.7305 54.9664 29.5621 175.0899 147 V 2.4986 7.7936 125.2579 61.7561 32.7518 174.6453 148 K 4.7924 7.9201 128.2007 54.8742 35.0629 175.0226 149 I 4.6608 8.7608 128.3344 59.3145 40.5783 174.5271 150 N 4.7286 9.0989 126.1438 53.5191 39.4625 174.7325 151 V 4.2836 8.2954 118.7699 61.6287 33.1059 178.0970 152 R 3.8859 7.8585 119.3532 59.1978 29.9284 176.8327 153 D 4.4413 8.2028 115.6876 55.3317 41.0163 176.3954 154 I 3.9903 7.3477 120.8630 61.1013 35.4577 175.9964 155 T 4.1550 8.3938 116.7734 63.5434 69.2846 176.2299 156 N 4.3271 8.1457 118.1542 54.1402 39.0342 174.5514 157 I 4.4467 6.9211 111.6504 59.0186 40.2326 174.7764 158 Q 4.5685 8.3413 120.6493 54.0642 31.0462 176.8043 159 D 4.3602 8.4444 118.1075 56.7652 40.9030 177.7820 160 D 4.7111 7.7665 116.1317 53.0000 40.0795 176.6048 161 T 3.8325 7.3781 118.2289 63.4933 68.4651 174.0167 162 L 4.1623 8.3809 126.5374 54.8305 41.6398 177.7025 163 L 4.0047 8.7187 124.8383 54.8503 42.5707 178.4793 164 R 4.0974 9.1637 123.3110 55.9704 29.6633 175.0224 165 N 5.4266 6.7578 110.9867 52.4219 39.3898 171.9058 *168 I 4.1119 8.1499 117.5394 61.7329 38.9464 174.7350 169 I 4.5243 8.0993 128.1806 59.5238 39.5420 174.9053 170 F 5.2479 9.2203 126.1646 55.7257 39.9321 173.5054 171 A 4.9316 9.0822 125.3127 49.7441 20.8694 176.1049 172 D 3.8249 8.4638 121.6310 54.3012 42.1930 176.5373 173 V 4.2329 8.5742 125.6123 61.2149 31.7161 174.9578 174 E 3.9375 8.1967 128.4774 56.7430 27.4443 174.8025 175 S 5.3573 8.7708 111.4277 56.6249 65.1947 173.2121 176 D 4.9404 8.3252 117.6656 52.8243 39.6629 176.0383 177 F 3.8893 8.1748 122.7502 58.8129 39.9155 174.0097 178 A 4.1597 7.2979 129.5913 49.1323 22.5990 176.4795 179 G 3.2532 6.6068 108.3035 45.8046 0.0000 170.5460 180 R 4.8483 7.4906 119.7820 54.7517 32.5064 176.9476 181 V 4.7533 7.7658 117.3192 59.5709 36.2745 174.4704 182 F 5.1330 8.5775 119.4951 56.0491 43.7455 173.9366 183 V 5.1665 9.1894 122.9283 61.3467 34.3670 173.8062 184 D 5.2575 9.2469 125.9707 52.8053 45.1695 173.9493 185 N 4.4344 8.7794 116.5000 54.3896 36.0899 174.8000 186 V 4.5042 7.7737 118.5910 62.8902 32.9985 175.6494 187 R 5.0652 8.9399 123.0806 55.2163 33.0975 174.0969 188 F 4.9487 9.0406 118.9037 57.2822 40.2694 175.0226 189 E 4.8473 9.3498 120.6497 54.4131 34.2810 176.2473 190 G 3.8040 8.7743 109.7862 46.0356 0.0000 173.6522 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 6 I 8.01 4.13 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 1.47 1.13 0.91 0.00 0.00 7 P 0.00 4.29 0.00 2.28 2.10 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 8 V 8.34 3.70 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 0.77 0.00 0.00 0.97 0.00 0.00 9 V 8.10 4.35 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 0.83 0.00 0.00 0.99 0.00 0.00 10 H 8.66 4.94 0.00 3.11 3.34 0.00 5.78 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 11 D 8.55 4.66 0.00 2.62 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.32 0.00 2.11 2.01 0.00 3.79 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 2.15 2.13 0.00 13 K 8.96 3.78 0.00 1.86 1.81 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.77 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.48 7.81 14 G 7.98 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.30 4.50 0.00 2.04 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 2.31 2.29 0.00 16 A 8.37 4.63 0.72 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 17 V 8.52 4.65 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 0.96 0.00 0.00 1.01 0.00 0.00 18 L 8.40 5.05 0.00 1.66 1.67 1.23 0.90 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 P 0.00 4.67 0.00 1.95 2.02 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 20 S 9.07 4.53 0.00 3.59 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 21 V 8.61 4.36 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 0.74 0.00 0.00 0.95 0.00 0.00 22 F 7.77 4.08 0.00 3.46 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 23 E 8.42 4.54 0.00 1.97 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 2.41 2.25 0.00 24 D 8.13 4.77 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.52 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 0.00 0.00 0.00 26 T 7.83 4.92 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 27 R 9.06 4.54 0.00 2.18 2.32 0.00 3.42 0.00 0.00 3.10 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 28 Q 8.92 3.67 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.45 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 29 G 8.78 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 0.00 0.00 0.00 30 W 8.23 4.75 0.00 3.48 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 31 D 8.82 4.47 0.00 2.69 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.37 5.02 0.00 3.21 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 33 A 9.32 4.39 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 34 G 9.14 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 35 E 8.08 4.51 0.00 2.19 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 0.00 2.35 2.41 0.00 36 S 7.90 4.15 0.00 4.11 3.58 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 37 G 8.31 4.06 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 0.00 0.00 0.00 38 V 6.99 4.13 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 0.55 0.00 0.00 0.82 0.00 0.00 39 K 7.78 3.04 0.00 1.49 1.56 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.78 0.96 7.81 40 T 7.65 4.24 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 41 A 8.60 4.28 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 42 L 9.06 4.85 0.00 1.38 1.41 -0.27 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.82 5.07 4.35 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 1.26 0.00 0.00 44 I 8.85 4.86 1.92 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 1.42 0.98 1.09 0.00 0.00 45 E 9.21 4.87 0.00 2.06 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 2.22 2.35 0.00 46 E 8.82 4.57 0.00 1.95 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 2.14 2.24 0.00 47 A 8.68 3.75 0.13 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 0.00 0.00 48 N 9.26 4.16 0.00 2.18 2.41 0.00 0.00 7.26 7.98 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 49 G 8.76 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.58 4.71 0.00 3.88 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 N 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0.00 0.00 0.00 0.00 2.22 2.24 0.00 133 L 8.20 4.04 0.00 1.67 1.38 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.19 4.33 0.00 2.13 2.16 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 2.33 2.37 0.00 135 E 7.87 4.25 0.00 2.12 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 2.31 0.00 136 A 7.64 4.33 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 0.00 137 N 8.43 4.57 0.00 2.53 2.72 0.00 0.00 6.44 8.20 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 0.00 138 Q 8.27 4.89 0.00 1.39 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.86 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 139 V 8.22 3.98 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 0.90 0.00 0.00 0.87 0.00 0.00 140 N 9.72 3.86 0.00 2.77 2.75 0.00 0.00 7.22 7.65 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 0.00 141 G 8.11 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 0.00 142 L 7.34 4.72 0.00 1.65 1.52 0.78 0.43 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 0.00 143 Y 9.00 5.03 0.00 3.21 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 0.00 144 H 8.88 5.12 0.00 3.04 3.00 0.00 5.71 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 8.97 4.53 0.00 3.04 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 0.00 146 E 8.69 4.56 0.00 1.73 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 2.26 2.01 0.00 147 V 7.79 2.50 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 -0.13 0.00 0.00 0.06 0.00 0.00 148 K 7.92 4.79 0.00 1.53 1.50 0.00 1.45 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.90 1.18 7.81 149 I 8.76 4.66 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.47 0.91 0.00 0.00 150 N 9.10 4.73 0.00 2.81 2.76 0.00 0.00 7.10 7.71 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 0.00 151 V 8.30 4.28 2.26 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 1.01 0.00 0.00 1.06 0.00 0.00 152 R 7.86 3.89 0.00 1.68 1.97 0.00 3.25 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 153 D 8.20 4.44 0.00 2.71 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 0.00 154 I 7.35 3.99 1.98 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.60 0.96 0.00 0.00 155 T 8.39 4.16 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 0.00 156 N 8.15 4.33 0.00 2.77 2.93 0.00 0.00 6.77 7.45 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 0.00 157 I 6.92 4.45 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.59 0.87 0.00 0.00 158 Q 8.34 4.57 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 159 D 8.44 4.36 0.00 2.66 2.75 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 0.00 160 D 7.77 4.71 0.00 2.72 2.71 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 0.00 161 T 7.38 3.83 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 1.12 0.00 0.00 162 L 8.38 4.16 0.00 1.64 1.54 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 163 L 8.72 4.00 0.00 1.55 1.45 -0.02 0.56 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 0.00 164 R 9.16 4.10 0.00 1.91 1.94 0.00 3.27 0.00 0.00 3.43 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.51 0.00 165 N 6.76 5.43 0.00 2.26 1.42 0.00 0.00 6.71 7.29 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 *168 I 8.15 4.11 1.76 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.64 0.31 0.00 0.00 169 I 8.10 4.52 1.16 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 0.30 0.41 -0.29 0.00 0.00 170 F 9.22 5.25 0.00 3.06 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 A 9.08 4.93 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 0.00 172 D 8.46 3.82 0.00 1.58 2.26 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 0.00 173 V 8.57 4.23 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 0.94 0.00 0.00 0.95 0.00 0.00 174 E 8.20 3.94 0.00 2.23 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 2.33 2.29 0.00 175 S 8.77 5.36 0.00 4.44 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 0.00 176 D 8.33 4.94 0.00 2.76 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 F 8.17 3.89 0.00 2.58 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 0.00 178 A 7.30 4.16 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 G 6.61 3.25 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 0.00 180 R 7.49 4.85 0.00 1.75 1.66 0.00 2.92 0.00 0.00 2.63 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.25 0.00 181 V 7.77 4.75 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 0.67 0.00 0.00 -0.54 0.00 0.00 182 F 8.58 5.13 0.00 2.99 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 0.00 183 V 9.19 5.17 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 0.52 0.00 0.00 1.15 0.00 0.00 184 D 9.25 5.26 0.00 3.02 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 N 8.78 4.43 0.00 3.18 2.92 0.00 0.00 6.50 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 0.00 186 V 7.77 4.50 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 1.04 0.00 0.00 0.58 0.00 0.00 187 R 8.94 5.07 0.00 2.00 2.03 0.00 2.87 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 188 F 9.04 4.95 0.00 2.97 3.25 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 0.00 189 E 9.35 4.85 0.00 2.02 1.88 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 2.28 2.31 0.00 190 G 8.77 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.