NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7324 8.4545 109.7119 45.2285 0.0000 173.4830 2 L 4.4354 7.7626 121.5634 52.2304 44.9659 172.2169 3 F 4.8013 8.6999 118.9561 57.0385 40.3411 177.0767 4 D 4.4046 8.2194 124.3896 57.5087 41.2070 178.1866 5 K 4.1520 8.0104 119.2214 56.4052 31.9609 180.8310 6 L 4.4180 7.6420 119.8306 54.6657 42.3521 177.6625 7 K 4.1051 8.6359 125.5086 54.7055 32.2542 173.8881 8 S 4.7116 8.2561 117.7952 55.4918 64.8964 173.6849 9 L 3.9970 8.3720 124.1651 55.1036 42.0227 176.4193 10 V 4.0826 8.3932 128.4408 61.1993 33.0135 173.1543 11 S 3.4293 8.7621 128.9794 58.2926 60.5584 168.9523 *12 D 4.4962 8.4292 120.9162 52.1262 41.3855 172.5499 *19 T 4.3354 8.0339 114.2884 62.1689 68.3796 172.7966 20 I 4.5482 8.5713 129.6157 59.7482 39.6164 174.8186 21 E 5.0795 8.7419 125.1791 54.9212 32.2185 175.5606 22 I 4.4875 8.5059 122.3255 59.7044 39.8400 174.9594 23 I 4.4283 8.6016 128.6098 59.9382 39.0364 175.1597 24 A 4.2765 8.7522 127.9456 51.9431 18.6845 176.9804 25 P 4.3408 0.0000 0.0000 65.5990 31.7332 176.1302 26 L 5.0640 7.4555 116.3818 53.3805 45.9219 174.9011 27 S 4.8216 8.9815 116.1256 56.0687 64.7644 175.1615 28 G 3.9854 7.3129 109.7019 45.8377 0.0000 170.1692 29 E 4.9934 7.8067 119.8252 54.6330 31.7961 176.7603 30 I 4.2974 8.2217 126.6849 61.4114 38.0233 175.5532 31 V 4.5481 8.1650 123.7460 60.8823 35.5836 174.6847 32 N 4.5543 8.5858 122.2055 52.9018 39.4942 176.3009 33 I 3.6225 8.4382 122.4016 64.1328 38.2248 177.3828 34 E 4.4154 8.0581 114.4065 57.3658 29.4976 176.5341 35 D 4.7594 7.9842 119.1627 54.1609 41.0617 175.9275 36 V 4.1011 7.4827 120.3029 61.0865 32.7448 175.4829 37 P 4.5372 0.0000 0.0000 60.1303 29.7630 175.1164 38 D 4.2717 7.7055 114.7115 54.2397 43.8342 176.0564 39 V 3.5646 8.3705 128.1500 66.1938 31.7020 178.0256 40 V 3.7383 7.8100 111.8192 62.8059 32.0556 177.7530 41 F 4.5143 7.9745 118.0312 59.4297 39.4224 177.7480 42 A 4.2118 8.2611 123.5335 54.8228 17.9464 178.5974 43 E 4.6495 7.9549 113.9533 55.4527 30.1486 176.3111 44 K 4.9731 8.2688 116.0264 56.6127 30.5155 178.0404 45 I 3.5911 7.3492 121.4572 64.3596 37.0208 178.1778 46 V 3.7966 7.5883 117.6907 61.5780 31.9899 175.8289 47 G 3.9790 6.2733 108.8666 45.8182 0.0000 170.4160 48 D 5.3480 8.1797 117.7184 51.7215 44.7316 176.1020 49 G 4.6292 7.5056 113.1374 46.2370 0.0000 172.7089 50 I 4.7534 8.3869 119.1475 59.3656 41.7451 173.4247 51 A 5.0058 8.2651 123.7999 50.2696 22.4055 175.6947 52 I 4.6950 7.7942 118.4889 59.2974 41.1842 175.2579 53 K 4.3542 8.8282 129.7464 55.2716 32.3443 174.4519 54 P 5.0595 0.0000 0.0000 63.0428 31.8452 176.1362 55 T 4.6587 9.0553 110.1953 61.7432 70.8773 174.4875 56 G 4.1252 8.4973 109.5001 45.0002 0.0000 173.8614 57 N 3.1400 7.6263 121.5723 51.6608 38.9399 173.8485 58 K 4.9408 7.2559 117.2803 55.5810 36.1101 175.2074 59 M 5.0819 9.2603 121.8569 53.9930 34.3940 175.3436 60 V 4.7523 8.5298 121.8738 60.5268 35.4208 174.6184 61 A 4.4998 8.5319 125.7540 51.5561 18.7564 176.8198 62 P 4.5975 0.0000 0.0000 63.7860 32.9848 176.1705 63 V 4.6652 7.4794 110.4071 60.2669 35.7954 172.9130 64 D 4.7554 8.3340 120.1588 53.5771 42.0461 174.9520 65 G 4.2230 8.0347 113.5636 47.0015 0.0000 172.0907 66 T 5.3014 7.8966 119.3803 61.5661 72.1546 174.1484 67 I 3.8900 8.7325 127.0002 61.8704 37.5116 174.2256 68 G 4.0971 9.4645 109.0666 46.0305 0.0000 172.8145 69 K 5.3065 8.6744 115.8493 52.8242 35.7541 174.9640 70 I 5.0244 8.6560 125.9162 59.7472 38.8612 176.0947 71 F 4.5223 9.4805 125.6800 57.1432 39.4441 176.3749 72 E 4.1884 8.7122 120.1467 58.8539 30.0555 177.7512 73 T 4.1978 8.0800 108.7648 61.3240 69.3461 174.6173 74 N 4.3464 8.0094 118.5695 54.8939 36.7192 174.2937 75 H 3.5388 7.8685 112.3378 55.2940 30.3960 173.7147 76 A 4.8465 7.1375 120.1348 50.7489 22.4486 175.0077 77 F 6.3000 9.0899 115.0271 54.3109 42.2110 173.5205 78 S 5.3103 8.9086 113.4767 56.7937 66.0519 172.6388 79 I 5.1142 8.5888 121.3407 59.5622 42.1063 173.5147 80 E 5.2233 8.7914 126.3992 53.8971 31.8910 174.9967 81 S 4.9869 8.6357 122.3539 57.9842 63.7001 175.5692 82 D 4.5721 8.9702 121.5516 56.4982 40.7597 176.6423 83 S 4.6391 7.9992 113.5582 58.6673 63.8460 173.9061 84 G 4.0116 7.6829 105.9973 48.0660 0.0000 174.2478 85 V 4.5366 7.7315 117.6431 60.7499 34.8081 174.2304 86 E 4.8688 9.1909 127.7619 55.2903 30.8069 175.1819 87 L 5.1807 8.6354 125.0847 53.1218 45.1484 175.7041 88 F 5.1589 8.9372 122.9965 56.6154 42.8265 173.3350 89 V 4.3914 7.7434 126.0750 61.1214 34.1510 173.8734 90 H 4.2820 8.1702 126.4826 53.8970 32.6152 171.9630 91 F 3.7040 8.2077 129.8892 58.7352 39.5691 176.6915 92 G 4.2422 8.5486 115.5149 45.2355 0.0000 172.0931 93 I 4.7496 7.9052 110.9288 60.3910 40.9677 174.6025 94 D 4.4638 8.8246 120.7490 56.0004 38.3789 174.2815 95 T 4.3905 7.6015 114.0194 64.7242 70.0574 177.9450 96 V 3.7434 7.7948 114.8237 63.1760 31.8646 177.9668 97 E 4.0426 8.1596 117.6844 59.1392 29.6563 178.0710 98 L 4.1120 8.0143 117.9355 55.1465 41.7198 177.1834 99 K 3.5778 8.6117 117.0567 57.3825 30.4916 174.9678 100 G 4.2432 8.2376 102.0957 46.5235 0.0000 173.8762 101 E 4.6142 9.2642 121.1429 54.3104 29.0050 174.2526 102 G 3.3176 7.6409 120.0232 44.7369 0.0000 170.5870 103 F 5.0569 6.6967 117.8654 55.4316 41.3318 175.7560 104 K 4.3690 8.1505 120.1022 55.6019 35.4177 175.4634 105 R 4.1811 8.7725 127.1475 56.8634 29.8410 176.0798 106 I 4.2888 8.5739 127.1295 61.9439 38.5392 175.3904 107 A 4.8539 7.8852 122.5556 50.0047 22.3815 174.2646 108 E 4.7590 8.7750 116.7754 54.3453 31.9256 177.0703 109 E 3.9560 9.0178 120.5386 59.9119 29.6035 179.0541 110 G 4.0008 7.9605 104.4033 45.6399 0.0000 172.6668 111 Q 4.2172 8.0660 123.0037 55.2111 29.8301 175.7116 112 R 4.5153 8.6163 126.1617 56.9307 30.9793 176.2835 113 V 4.5900 9.2379 117.8030 61.0647 37.1505 173.6871 *114 K 4.9597 8.8188 124.3236 52.7570 36.2544 175.6854 115 V 3.9191 7.9511 118.8253 65.9163 31.5766 176.3009 116 G 4.0171 8.9244 116.1808 45.3915 0.0000 173.3161 117 D 4.4019 7.9670 120.6895 54.2289 40.9747 176.0928 118 T 4.2045 8.5127 121.4662 64.2928 69.3143 174.0536 119 V 4.2251 8.4357 117.3513 62.2158 35.1207 176.0248 120 I 5.0803 7.3906 119.7546 59.8036 41.5434 174.1077 121 E 5.0944 9.0162 126.3167 54.8537 31.9654 175.0861 122 F 5.5623 8.3863 117.7366 54.1286 41.6548 174.7092 123 D 4.8482 8.1509 115.6168 51.1581 40.5219 175.2878 124 L 4.2211 9.3152 125.1876 57.3264 42.2430 176.3543 125 P 4.2611 0.0000 0.0000 65.8204 31.1555 178.2473 126 L 4.0276 7.9903 119.7200 57.8021 42.0853 178.9211 127 L 4.0378 7.8926 118.7763 57.3051 41.2157 179.1218 128 E 4.0195 8.0249 119.1676 59.1759 29.7130 178.1115 129 E 4.1069 7.8072 116.8713 58.3161 29.6981 177.4052 130 K 4.4024 7.6188 115.5239 56.8984 34.7474 176.7340 131 A 4.2955 8.0047 122.7586 52.1259 19.0084 178.2748 132 K 4.2206 8.6346 121.5739 57.3719 32.1312 178.7090 133 S 4.7426 7.7539 111.8085 57.2732 65.2020 174.0837 134 T 4.4748 8.2318 120.5355 63.2992 69.9005 175.0206 135 L 3.9362 7.6741 122.0787 55.7141 42.8839 176.4560 136 T 4.5769 8.3338 119.5659 59.5490 70.6042 171.3121 137 P 4.3131 0.0000 0.0000 62.5908 32.9060 176.0716 138 V 4.8832 8.8664 122.8806 59.4600 34.1394 174.6043 139 V 4.9712 8.3649 117.9179 59.4213 36.0814 174.6644 140 I 4.7570 8.7058 124.0071 59.8870 38.5229 176.3000 141 S 5.0025 8.8992 122.5774 57.2474 64.0632 174.3015 142 N 5.1039 7.6565 116.8108 52.3991 37.4450 175.9605 143 M 4.0231 8.4432 120.3057 59.9142 32.6405 178.8454 144 D 4.3740 8.3197 117.3036 57.6172 40.9248 177.7655 145 E 4.1682 8.1456 116.0624 57.5033 29.6475 176.7599 146 I 4.4891 7.3870 112.9287 58.5066 38.9552 175.0924 147 K 4.1187 8.0505 123.9723 57.4002 31.4893 175.8653 148 E 4.7393 8.5286 120.4611 54.3435 33.5584 174.5607 149 L 5.0037 8.5248 126.8041 53.5209 44.7257 175.2482 150 I 4.4959 8.6132 127.8951 59.5063 39.5433 174.9355 151 K 4.7654 8.6758 126.6592 55.4381 33.5275 176.4915 152 L 4.7155 8.4217 125.2878 53.6588 44.4610 174.6650 153 S 4.5242 8.1829 113.0885 58.3299 66.6411 175.5909 154 G 3.8976 8.4107 108.8842 46.9003 0.0000 173.1853 155 S 5.1637 8.4642 119.8018 57.6833 64.4138 173.9130 156 V 4.7624 8.7077 115.6768 59.8350 36.4271 174.5359 157 T 4.9960 8.6612 112.1437 59.3531 72.1237 173.7929 158 V 3.8798 8.8171 124.7408 63.6230 31.3590 176.8065 159 G 3.9679 9.0236 112.7868 45.6751 0.0000 172.5964 160 E 4.4940 7.9157 115.7181 58.0783 32.1215 176.2616 161 T 4.2012 7.4006 112.4284 62.7411 69.5627 172.4301 162 P 4.8359 0.0000 0.0000 62.9840 31.8704 176.4996 163 V 4.4164 9.0146 113.7297 62.0113 35.2468 175.9275 164 I 5.0457 7.5896 119.3297 59.7394 42.0190 174.2617 165 R 5.1471 9.1770 125.4943 54.3833 32.8422 174.9248 166 I 4.9846 8.7460 117.5806 58.8971 41.1613 174.5087 167 K 4.6790 8.6522 124.2480 54.5967 34.9822 176.1585 168 K 4.1450 8.7032 127.5184 56.5676 32.1949 175.8827 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 1 G 8.45 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 0.00 0.00 0.00 2 L 7.76 4.44 0.00 1.69 1.37 0.92 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.70 4.80 0.00 3.06 3.05 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 4 D 8.22 4.40 0.00 2.63 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 5 K 8.01 4.15 0.00 1.82 1.72 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.36 1.03 7.81 6 L 7.64 4.42 0.00 1.99 1.71 0.96 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.64 4.11 0.00 1.77 1.61 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.00 7.81 8 S 8.26 4.71 0.00 3.96 3.88 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 9 L 8.37 4.00 0.00 1.59 1.62 0.91 0.89 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 10 V 8.39 4.08 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 0.77 0.00 0.00 0.93 0.00 0.00 11 S 8.76 3.43 0.00 3.81 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 *12 D 8.43 4.50 0.00 2.44 2.51 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 *19 T 8.03 4.34 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 20 I 8.57 4.55 1.88 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 0.58 0.92 0.00 0.00 21 E 8.74 5.08 0.00 1.84 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 22 I 8.51 4.49 1.87 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 1.41 1.13 0.90 0.00 0.00 23 I 8.60 4.43 1.98 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 1.18 1.30 0.96 0.00 0.00 24 A 8.75 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 25 P 0.00 4.34 0.00 2.32 2.40 0.00 3.67 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 26 L 7.46 5.06 0.00 1.60 1.66 0.90 0.79 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 27 S 8.98 4.82 0.00 3.91 3.78 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 0.00 0.00 0.00 28 G 7.31 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 0.00 0.00 0.00 29 E 7.81 4.99 0.00 2.09 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 2.28 2.36 0.00 30 I 8.22 4.30 1.85 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 1.08 0.77 0.88 0.00 0.00 31 V 8.16 4.55 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.88 0.00 0.00 32 N 8.59 4.55 0.00 2.99 2.92 0.00 0.00 6.53 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.44 3.62 2.05 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.37 1.01 0.00 0.00 34 E 8.06 4.42 0.00 2.13 2.24 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 2.28 2.24 0.00 35 D 7.98 4.76 0.00 2.84 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 36 V 7.48 4.10 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 0.74 0.00 0.00 0.89 0.00 0.00 37 P 0.00 4.54 0.00 2.25 2.10 0.00 3.87 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 38 D 7.71 4.27 0.00 2.77 2.78 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 0.00 0.00 0.00 39 V 8.37 3.56 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 0.97 0.00 0.00 0.94 0.00 0.00 40 V 7.81 3.74 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 0.58 0.00 0.00 0.40 0.00 0.00 41 F 7.97 4.51 0.00 3.26 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 42 A 8.26 4.21 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 43 E 7.95 4.65 0.00 2.09 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 2.21 2.24 0.00 44 K 8.27 4.97 0.00 2.01 1.91 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.43 7.81 45 I 7.35 3.59 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.44 0.85 0.00 0.00 46 V 7.59 3.80 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 0.56 0.00 0.00 0.78 0.00 0.00 47 G 6.27 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 0.00 0.00 0.00 48 D 8.18 5.35 0.00 2.73 2.49 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 49 G 7.51 4.63 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 50 I 8.39 4.75 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.96 0.89 0.00 0.00 51 A 8.27 5.01 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 52 I 7.79 4.70 1.75 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.70 0.85 0.00 0.00 53 K 8.83 4.35 0.00 1.83 1.83 0.00 1.47 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.39 7.81 54 P 0.00 5.06 0.00 2.27 1.90 0.00 3.55 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 1.84 1.28 0.00 55 T 9.06 4.66 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 1.23 0.00 0.00 56 G 8.50 4.13 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 0.00 57 N 7.63 3.14 0.00 2.45 2.49 0.00 0.00 6.63 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 58 K 7.26 4.94 0.00 1.67 1.60 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 1.46 7.81 59 M 9.26 5.08 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.70 0.00 60 V 8.53 4.75 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 0.87 0.00 0.00 1.00 0.00 0.00 61 A 8.53 4.50 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 62 P 0.00 4.60 0.00 2.10 2.20 0.00 3.95 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 63 V 7.48 4.67 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 0.73 0.00 0.00 0.97 0.00 0.00 64 D 8.33 4.76 0.00 2.61 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.03 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 0.00 0.00 0.00 0.00 66 T 7.90 5.30 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 1.24 0.00 0.00 67 I 8.73 3.89 1.95 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 1.33 0.68 1.07 0.00 0.00 68 G 9.46 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 69 K 8.67 5.31 0.00 1.93 1.86 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.65 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.33 1.25 7.81 70 I 8.66 5.02 1.97 0.00 0.00 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 1.37 0.54 1.00 0.00 0.00 71 F 9.48 4.52 0.00 3.09 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 72 E 8.71 4.19 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 73 T 8.08 4.20 4.11 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 1.24 0.00 0.00 74 N 8.01 4.35 0.00 2.96 2.98 0.00 0.00 6.82 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 75 H 7.87 3.54 0.00 2.48 2.36 0.00 5.48 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 76 A 7.14 4.85 0.31 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 77 F 9.09 6.30 0.00 3.19 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 78 S 8.91 5.31 0.00 4.01 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 79 I 8.59 5.11 2.08 0.00 0.00 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 1.19 1.69 0.87 0.00 0.00 80 E 8.79 5.22 0.00 2.11 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 81 S 8.64 4.99 0.00 3.98 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.97 4.57 0.00 2.70 2.78 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 0.00 0.00 0.00 83 S 8.00 4.64 0.00 3.98 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.68 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.73 4.54 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 0.98 0.00 0.00 0.99 0.00 0.00 86 E 9.19 4.87 0.00 1.99 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 2.28 2.43 0.00 87 L 8.64 5.18 0.00 1.51 1.49 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.94 5.16 0.00 3.00 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 89 V 7.74 4.39 1.43 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 0.76 0.00 0.00 0.54 0.00 0.00 90 H 8.17 4.28 0.00 2.16 2.60 0.00 5.64 0.00 0.00 0.00 0.00 6.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.21 3.70 0.00 2.91 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 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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 0.00 0.00 101 E 9.26 4.61 0.00 2.08 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 2.20 2.36 0.00 102 G 7.64 3.32 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 0.00 103 F 6.70 5.06 0.00 3.17 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 0.00 104 K 8.15 4.37 0.00 1.70 1.71 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.42 7.81 105 R 8.77 4.18 0.00 1.86 1.88 0.00 3.26 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 106 I 8.57 4.29 1.87 0.00 0.00 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 1.30 0.96 0.94 0.00 0.00 107 A 7.89 4.85 1.22 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 0.00 0.00 108 E 8.78 4.76 0.00 2.16 2.07 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 0.00 117 D 7.97 4.40 0.00 2.86 2.62 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 0.00 118 T 8.51 4.20 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 1.19 0.00 0.00 119 V 8.44 4.23 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 0.62 0.00 0.00 0.21 0.00 0.00 120 I 7.39 5.08 1.92 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.58 1.18 0.00 0.00 121 E 9.02 5.09 0.00 1.94 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 2.20 2.22 0.00 122 F 8.39 5.56 0.00 2.41 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.15 4.85 0.00 2.58 2.37 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 0.00 124 L 9.32 4.22 0.00 2.30 1.85 1.21 1.04 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 0.00 125 P 0.00 4.26 0.00 2.30 2.30 0.00 3.68 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 2.35 2.02 0.00 126 L 7.99 4.03 0.00 1.78 1.89 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.89 4.04 0.00 1.77 1.68 -0.27 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.02 4.02 0.00 2.28 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 0.00 2.35 2.35 0.00 129 E 7.81 4.11 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 130 K 7.62 4.40 0.00 1.84 1.79 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.33 7.81 131 A 8.00 4.30 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 0.00 132 K 8.63 4.22 0.00 1.79 1.74 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81 133 S 7.75 4.74 0.00 3.82 3.69 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 0.00 134 T 8.23 4.47 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 1.13 0.00 0.00 135 L 7.67 3.94 0.00 1.52 1.44 0.86 0.63 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 0.00 136 T 8.33 4.58 4.04 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 0.99 0.00 0.00 137 P 0.00 4.31 0.00 0.85 1.11 0.00 3.27 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 0.93 1.58 0.00 138 V 8.87 4.88 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 1.12 0.00 0.00 0.85 0.00 0.00 139 V 8.36 4.97 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 0.97 0.00 0.00 1.26 0.00 0.00 140 I 8.71 4.76 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 1.29 0.99 0.96 0.00 0.00 141 S 8.90 5.00 0.00 3.82 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 0.00 142 N 7.66 5.10 0.00 2.82 2.97 0.00 0.00 6.13 7.66 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 0.00 143 M 8.44 4.02 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.76 0.00 144 D 8.32 4.37 0.00 2.64 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 0.00 145 E 8.15 4.17 0.00 2.13 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 2.34 2.25 0.00 146 I 7.39 4.49 1.87 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 1.39 0.65 0.92 0.00 0.00 147 K 8.05 4.12 0.00 1.88 1.78 0.00 1.57 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.50 7.81 148 E 8.53 4.74 0.00 2.02 1.74 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 2.18 2.25 0.00 149 L 8.52 5.00 0.00 1.64 1.51 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 150 I 8.61 4.50 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 1.23 0.55 0.91 0.00 0.00 151 K 8.68 4.77 0.00 1.63 1.72 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.38 1.45 7.81 152 L 8.42 4.72 0.00 1.49 1.62 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 153 S 8.18 4.52 0.00 3.75 3.69 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 0.00 154 G 8.41 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 0.00 155 S 8.46 5.16 0.00 3.76 3.79 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 0.00 156 V 8.71 4.76 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 0.75 0.00 0.00 1.06 0.00 0.00 157 T 8.66 5.00 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 1.20 0.00 0.00 158 V 8.82 3.88 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.97 0.00 0.00 159 G 9.02 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 0.00 160 E 7.92 4.49 0.00 2.08 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 0.00 2.23 2.37 0.00 161 T 7.40 4.20 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 1.26 0.00 0.00 162 P 0.00 4.84 0.00 1.93 1.98 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 163 V 9.01 4.42 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 0.75 0.00 0.00 0.97 0.00 0.00 164 I 7.59 5.05 1.86 0.00 0.00 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 1.33 0.60 0.95 0.00 0.00 165 R 9.18 5.15 0.00 1.70 1.80 0.00 3.07 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 166 I 8.75 4.98 1.87 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 1.12 0.62 0.91 0.00 0.00 167 K 8.65 4.68 0.00 1.79 1.66 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.49 7.81 168 K 8.70 4.15 0.00 1.75 1.66 0.00 1.99 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.