NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 3.9742 8.3144 121.7166 55.8109 33.9749 175.3212 8 Q 4.0627 7.3204 121.3986 54.3365 30.2954 173.5650 9 F 5.4987 8.9320 127.2756 55.6845 42.8655 173.9200 10 A 4.9975 9.1289 124.3401 49.9989 22.4110 174.7782 11 V 4.5884 8.8434 122.3264 61.0468 34.6274 174.1608 12 I 4.4764 9.1047 129.4303 61.0098 39.6213 175.5074 13 G 4.1069 9.3360 116.3250 46.7284 0.0000 173.6761 14 L 4.4846 8.9293 133.1054 53.1733 41.3669 176.4343 15 G 4.1622 7.1939 110.4727 44.5999 0.0000 172.9921 16 R 3.8776 8.8871 117.4299 59.7289 30.2338 178.3142 17 F 4.4919 8.1119 119.2252 61.0137 39.3952 176.9221 18 G 3.8893 7.6324 105.8673 47.2733 0.0000 175.5138 19 G 3.3827 8.2950 109.9395 46.6310 0.0000 175.7096 20 S 4.1270 7.7649 115.4904 60.9184 62.3257 175.8961 21 I 3.6392 7.2402 121.0613 63.4246 37.7667 177.9595 22 V 3.5245 7.6288 119.3330 65.8144 31.3669 178.1423 23 K 4.0442 8.1649 118.2591 59.5446 31.7831 179.2326 24 E 3.9803 7.9344 118.9046 59.3684 29.3392 179.3236 25 L 3.9183 7.9904 119.1054 57.9005 41.6444 179.0860 26 H 4.1479 8.2104 117.9337 59.4563 29.7286 177.3359 27 R 4.2185 8.0215 118.7245 58.9752 29.7977 177.2261 28 M 4.5047 7.4856 116.1187 54.2663 32.2757 175.9701 29 G 3.8010 8.2988 106.9709 46.9600 0.0000 173.7499 30 H 4.9759 8.2908 116.0188 53.9780 30.5867 174.8536 31 E 4.4642 8.7525 120.1480 56.1478 30.9551 175.9132 32 V 4.9322 8.4035 122.9833 61.1941 35.5054 173.4730 33 L 4.9713 9.3961 130.5063 53.7350 43.3503 174.6872 34 A 5.1323 9.0761 129.8922 50.7043 21.0473 176.1132 35 V 5.2347 8.2819 120.0525 59.6958 35.3046 173.7274 36 D 4.8810 8.3547 121.1137 53.6071 44.3627 175.7959 37 I 3.7052 9.0032 115.1977 61.7502 38.4962 176.6040 38 N 4.9728 8.0046 118.8772 50.7782 40.1119 175.5671 39 E 4.0233 8.7591 122.3925 59.3084 29.6497 178.9286 40 E 4.0447 8.2983 118.2501 59.4018 29.1064 179.1085 41 K 4.0105 7.9649 118.8223 59.0276 32.5716 178.1708 42 V 3.8267 7.7022 118.2408 66.3231 31.3511 177.7771 43 N 4.4086 9.1179 116.8290 56.2039 38.2866 176.9115 44 A 4.2556 7.9632 119.3629 53.7419 18.5498 177.1919 45 Y 4.6655 7.7734 113.5101 57.1036 39.8682 177.3108 46 A 4.0809 8.4435 125.3018 55.3527 18.4909 180.2646 47 S 4.0760 7.9979 107.8860 60.3686 63.2605 174.2607 48 Y 4.0729 7.7642 117.1792 57.4096 38.2009 175.1374 49 A 4.8408 7.6595 123.0228 50.2261 22.2903 177.2934 50 T 3.9234 8.1648 115.7248 65.3144 68.2267 174.3825 51 H 4.8833 7.9696 117.2071 54.6658 33.9955 172.7158 52 A 5.1235 8.8914 125.1257 50.4037 20.5538 175.1084 53 V 4.3325 8.6990 121.6551 62.2771 34.2189 174.6637 54 I 4.8111 8.1417 126.7642 60.4531 38.0403 174.8724 55 A 4.6220 9.4708 127.8313 51.2923 23.5908 174.6778 56 N 4.8846 9.5244 119.1748 51.6932 39.6361 175.5452 57 A 4.0924 8.8021 130.5964 54.9550 18.7005 178.5484 58 T 3.9495 7.7925 104.8597 63.7894 69.4219 174.9317 59 E 4.2820 8.2465 123.5614 55.2320 29.9603 177.0190 60 E 4.0605 8.7831 124.4497 59.0877 29.6406 178.7801 61 N 4.3703 8.0570 117.9465 55.9755 37.2909 177.0725 62 E 4.0179 8.1129 120.4101 58.7805 29.3787 178.8972 63 L 4.0506 7.8547 120.7374 57.9569 42.0405 178.9467 64 L 4.0597 7.6919 119.2531 57.6408 41.3474 179.4261 65 S 4.1565 7.8759 114.5452 61.4716 62.8760 176.0538 66 L 4.3124 7.6217 117.9503 54.3842 42.0209 176.9136 67 G 4.0717 8.5373 108.2289 46.1140 0.0000 175.6306 68 I 3.8203 7.4886 120.8987 63.3012 38.2259 177.3858 69 R 4.1066 7.9833 118.7928 58.6541 30.0661 176.2932 70 N 4.6882 8.3441 113.7959 53.6258 38.5062 174.5429 71 F 4.8530 7.9004 117.0465 55.8121 41.6157 175.4450 72 E 4.2743 8.6694 122.7090 57.9258 31.3709 175.5760 73 Y 4.8604 8.0241 117.1658 56.0183 41.3233 174.9691 74 V 4.8723 8.8221 124.7091 61.0272 34.8110 174.0619 75 I 4.9795 8.6858 128.8927 59.6715 39.6790 174.7190 76 V 4.4417 9.3558 128.4461 61.3447 32.6841 175.7834 77 A 5.0571 9.1360 132.3569 51.7408 19.3763 176.2981 78 I 3.9967 8.2817 119.2413 63.0953 38.9579 178.0449 79 G 4.1394 7.9477 110.7939 45.6792 0.0000 175.7188 80 A 3.9726 8.6284 126.5088 54.7289 18.8245 179.3960 81 N 4.5895 7.9952 118.0124 53.5889 36.9507 174.8308 82 I 3.6079 7.9799 127.1833 64.0422 37.4258 177.5928 83 Q 3.9470 8.0282 118.0838 58.7823 28.5508 178.1571 84 A 3.9506 8.1636 121.8381 55.3600 18.3125 179.6080 85 S 4.0411 7.8815 111.1137 61.9248 62.5829 176.6043 86 T 3.9344 7.9602 112.4942 64.4919 68.4863 176.2432 87 L 3.9072 8.6524 123.6581 58.2334 42.1688 178.9799 88 T 3.8647 8.0953 116.0327 66.9878 68.2866 176.7202 89 T 4.0320 7.8608 109.4994 63.9812 68.9177 175.9878 90 L 4.1095 7.8067 124.0814 57.9148 42.2856 178.5276 91 L 3.9949 7.9102 119.1786 57.7145 41.2570 178.8975 92 L 4.3227 7.9118 117.1765 56.5430 40.3504 177.7780 93 K 4.3333 7.6535 120.2317 57.1675 32.6346 176.3204 94 E 4.4369 7.6506 115.0582 56.4316 29.8354 176.3322 95 L 4.4780 7.5918 117.5910 54.2701 42.2647 175.9536 96 D 4.4328 8.1914 116.5218 55.0092 38.2301 173.6573 97 I 3.7232 7.2733 119.2234 61.1217 37.3775 174.1419 98 P 4.3332 0.0000 0.0000 65.2660 31.4341 176.4092 99 N 5.2999 8.0967 115.1755 51.3286 42.6140 173.5536 100 I 4.9939 10.3573 118.8092 58.9765 40.4071 174.3329 101 W 5.5358 9.4062 127.5681 54.8314 31.7317 175.2132 102 V 5.0089 8.7928 123.8290 60.8680 34.6661 174.1284 103 K 4.4632 8.7732 128.5852 55.9095 32.8311 175.6227 104 A 4.4148 8.6787 130.2989 50.4869 19.7364 176.9572 105 Q 4.0911 9.2830 124.4532 58.8414 30.0473 174.9957 106 N 4.8299 7.5316 113.3878 51.5815 39.6299 173.5496 107 Y 4.0782 8.8246 116.8235 61.8189 39.0029 178.5240 108 Y 4.2906 7.8690 117.1561 61.1230 37.9379 177.6921 109 H 4.2675 8.8064 119.5629 59.3594 29.9859 176.7255 110 H 3.9347 8.2148 120.0653 59.3656 29.8602 177.4409 111 K 4.1484 7.7952 120.1722 59.2868 31.7382 179.8313 112 V 3.6209 7.8217 119.6259 64.7798 31.4429 178.4388 113 L 3.9394 8.0557 119.8925 57.2593 40.9429 179.0428 114 E 3.8539 8.1302 119.1914 59.4618 29.3997 179.2060 115 K 4.1103 7.7132 116.5192 59.2322 32.1977 179.2442 116 I 3.8974 7.8587 119.9728 62.7169 36.9149 176.9724 117 G 4.1262 7.4449 106.3359 45.1219 0.0000 173.6894 118 A 4.1587 7.7527 122.3845 52.2797 18.8206 178.3504 119 D 4.6711 8.6782 121.7139 56.5753 42.0230 177.3225 120 R 4.3997 7.7723 117.8408 54.7470 33.5960 173.6532 121 I 4.8350 8.2424 126.4452 59.5580 39.6160 174.7638 122 I 4.4868 8.9885 127.7890 59.9039 39.9930 174.6806 123 H 4.7579 9.3845 123.9822 52.8688 28.6561 172.9071 124 P 4.0962 0.0000 0.0000 65.4420 31.5159 176.8903 125 E 3.8963 8.0625 117.2299 59.3020 29.7426 178.7902 126 K 3.8956 7.9695 117.7082 59.6754 32.1261 178.7925 127 D 4.3464 8.7621 119.4444 57.8075 40.7088 178.7738 128 M 4.1849 8.3504 118.6850 58.2449 32.1681 178.2876 129 G 3.7068 8.2983 106.5301 48.1816 0.0000 176.1130 130 V 3.7524 7.8454 115.0012 63.5337 31.4986 178.9740 131 K 3.9875 7.8675 118.4638 59.4286 31.8141 179.3916 132 I 3.6881 8.0825 120.1136 64.4236 37.0788 178.3619 133 A 3.9781 8.0482 121.5172 55.1664 18.0142 179.5088 134 Q 3.9891 8.2154 118.3312 59.2622 28.8852 178.4639 135 S 4.1174 7.9050 115.4506 61.4764 63.1826 176.3717 136 L 4.1091 8.1947 121.8916 57.8615 41.4392 179.2304 137 S 4.0703 8.4265 113.3833 61.8756 62.2732 175.8734 138 D 4.5221 8.4188 121.5199 57.5590 40.3719 178.3382 139 E 4.2379 7.9769 116.4479 57.7744 29.3732 176.7473 140 N 4.8168 8.2274 114.9602 54.8897 41.0953 176.1724 141 V 3.7158 7.8294 115.7778 65.5683 31.8865 176.4163 142 L 4.2398 7.5186 118.1434 54.2542 42.0507 177.1647 143 N 4.6374 8.5126 121.0692 53.4255 37.3018 175.9106 *144 Y 4.2642 7.8960 120.3096 56.8380 37.9941 173.5928 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 7 K 8.31 3.97 0.00 1.64 1.76 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.41 7.81 8 Q 7.32 4.06 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.71 0.00 0.00 0.00 0.00 0.00 2.02 1.54 0.00 9 F 8.93 5.50 0.00 3.11 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 9.13 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.84 4.59 1.97 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 0.87 0.00 0.00 0.83 0.00 0.00 12 I 9.10 4.48 1.85 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 1.08 0.65 0.88 0.00 0.00 13 G 9.34 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 0.00 0.00 0.00 0.00 14 L 8.93 4.48 0.00 1.48 0.94 0.80 0.50 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 7.19 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 0.00 0.00 0.00 16 R 8.89 3.88 0.00 1.96 2.07 0.00 3.17 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 17 F 8.11 4.49 0.00 3.04 3.02 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 18 G 7.63 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 19 G 8.30 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.76 4.13 0.00 4.11 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 21 I 7.24 3.64 1.53 0.00 0.00 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 1.18 0.94 0.54 0.00 0.00 22 V 7.63 3.52 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 1.08 0.00 0.00 0.85 0.00 0.00 23 K 8.16 4.04 0.00 1.87 1.78 0.00 1.37 0.00 0.00 0.61 0.00 0.00 2.71 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.89 1.20 7.81 24 E 7.93 3.98 0.00 2.00 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 2.30 2.46 0.00 25 L 7.99 3.92 0.00 1.64 1.64 0.52 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.21 4.15 0.00 3.65 3.64 0.00 5.79 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 27 R 8.02 4.22 0.00 1.92 2.15 0.00 3.32 0.00 0.00 3.51 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 28 M 7.49 4.50 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 29 G 8.30 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 30 H 8.29 4.98 0.00 3.23 3.41 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.75 4.46 0.00 2.01 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 2.42 2.34 0.00 32 V 8.40 4.93 2.18 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 1.02 0.00 0.00 1.08 0.00 0.00 33 L 9.40 4.97 0.00 2.03 1.36 0.55 1.11 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 34 A 9.08 5.13 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 35 V 8.28 5.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.90 0.00 0.00 36 D 8.35 4.88 0.00 2.75 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 37 I 9.00 3.71 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 0.98 1.14 0.95 0.00 0.00 38 N 8.00 4.97 0.00 3.25 2.97 0.00 0.00 6.02 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 39 E 8.76 4.02 0.00 2.24 2.28 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 2.38 2.39 0.00 40 E 8.30 4.04 0.00 2.21 2.30 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 2.53 2.35 0.00 41 K 7.96 4.01 0.00 1.90 1.93 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.15 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.74 7.81 42 V 7.70 3.83 2.25 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 0.97 0.00 0.00 1.04 0.00 0.00 43 N 9.12 4.41 0.00 2.74 2.87 0.00 0.00 6.95 6.96 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 44 A 7.96 4.26 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 45 Y 7.77 4.67 0.00 3.09 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 46 A 8.44 4.08 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 47 S 8.00 4.08 0.00 3.55 3.81 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 0.00 0.00 0.00 48 Y 7.76 4.07 0.00 3.04 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 0.00 49 A 7.66 4.84 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 50 T 8.16 3.92 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 1.33 0.00 0.00 51 H 7.97 4.88 0.00 3.11 3.17 0.00 5.61 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 52 A 8.89 5.12 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.70 4.33 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 0.96 0.00 0.00 0.95 0.00 0.00 54 I 8.14 4.81 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.72 0.96 0.00 0.00 55 A 9.47 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 9.52 4.88 0.00 2.79 2.85 0.00 0.00 7.39 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 57 A 8.80 4.09 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.79 3.95 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 59 E 8.25 4.28 0.00 2.15 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 2.31 2.66 0.00 60 E 8.78 4.06 0.00 2.16 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 0.00 2.36 2.31 0.00 61 N 8.06 4.37 0.00 2.94 3.11 0.00 0.00 6.30 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 62 E 8.11 4.02 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 63 L 7.85 4.05 0.00 1.95 1.65 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.69 4.06 0.00 1.85 1.70 0.93 0.85 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 65 S 7.88 4.16 0.00 4.03 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 66 L 7.62 4.31 0.00 1.81 1.73 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.54 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.49 3.82 2.10 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.49 0.92 0.00 0.00 69 R 7.98 4.11 0.00 1.84 1.97 0.00 3.29 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 70 N 8.34 4.69 0.00 2.65 2.62 0.00 0.00 6.82 6.90 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 71 F 7.90 4.85 0.00 2.97 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 72 E 8.67 4.27 0.00 1.91 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 2.30 2.27 0.00 73 Y 8.02 4.86 0.00 2.89 2.73 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 74 V 8.82 4.87 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 1.00 0.00 0.00 0.90 0.00 0.00 75 I 8.69 4.98 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.51 1.10 0.00 0.00 76 V 9.36 4.44 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 1.01 0.00 0.00 0.97 0.00 0.00 77 A 9.14 5.06 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 78 I 8.28 4.00 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 1.36 0.59 0.92 0.00 0.00 79 G 7.95 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 80 A 8.63 3.97 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 N 8.00 4.59 0.00 2.77 2.74 0.00 0.00 7.10 7.62 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 82 I 7.98 3.61 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.58 0.56 0.00 0.00 83 Q 8.03 3.95 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 84 A 8.16 3.95 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 85 S 7.88 4.04 0.00 3.98 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 0.00 86 T 7.96 3.93 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 1.36 0.00 0.00 87 L 8.65 3.91 0.00 1.84 1.89 0.92 1.04 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 88 T 8.10 3.86 4.38 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 1.21 0.00 0.00 89 T 7.86 4.03 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 1.29 0.00 0.00 90 L 7.81 4.11 0.00 2.13 1.78 0.92 0.63 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 91 L 7.91 3.99 0.00 1.97 1.70 1.02 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.91 4.32 0.00 1.93 1.89 0.99 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.65 4.33 0.00 1.87 2.04 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.47 7.81 94 E 7.65 4.44 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 95 L 7.59 4.48 0.00 1.76 1.72 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.19 4.43 0.00 2.80 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 97 I 7.27 3.72 2.00 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 1.32 0.57 0.89 0.00 0.00 98 P 0.00 4.33 0.00 2.02 2.04 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 99 N 8.10 5.30 0.00 1.81 2.45 0.00 0.00 6.59 7.17 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 0.00 100 I 10.36 4.99 1.94 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 1.58 0.95 0.93 0.00 0.00 101 W 9.41 5.54 0.00 3.35 3.20 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 0.00 102 V 8.79 5.01 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 0.94 0.00 0.00 0.98 0.00 0.00 103 K 8.77 4.46 0.00 1.55 1.63 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.22 0.84 7.81 104 A 8.68 4.41 0.91 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 0.00 105 Q 9.28 4.09 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 106 N 7.53 4.83 0.00 2.98 2.93 0.00 0.00 5.88 7.57 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 0.00 107 Y 8.82 4.08 0.00 2.98 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 7.87 4.29 0.00 3.04 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 0.00 109 H 8.81 4.27 0.00 3.34 3.46 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 8.21 3.93 0.00 3.52 3.39 0.00 5.84 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 0.00 111 K 7.80 4.15 0.00 1.71 1.75 0.00 1.26 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.00 7.81 112 V 7.82 3.62 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 1.13 0.00 0.00 0.92 0.00 0.00 113 L 8.06 3.94 0.00 1.79 1.65 0.56 0.66 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 0.00 114 E 8.13 3.85 0.00 2.21 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 2.30 2.34 0.00 115 K 7.71 4.11 0.00 1.91 1.83 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.65 7.81 116 I 7.86 3.90 2.02 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 1.67 0.73 0.91 0.00 0.00 117 G 7.44 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 0.00 118 A 7.75 4.16 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 0.00 119 D 8.68 4.67 0.00 2.94 2.85 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 0.00 120 R 7.77 4.40 0.00 0.83 0.66 0.00 2.21 0.00 0.00 2.77 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.02 0.00 121 I 8.24 4.84 1.77 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.64 0.71 0.00 0.00 122 I 8.99 4.49 1.78 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.88 0.85 0.00 0.00 123 H 9.38 4.76 0.00 3.11 3.16 0.00 5.65 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.10 0.00 2.00 1.95 0.00 3.38 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.27 0.00 125 E 8.06 3.90 0.00 2.06 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 2.37 2.46 0.00 126 K 7.97 3.90 0.00 1.79 1.81 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.43 7.81 127 D 8.76 4.35 0.00 2.70 2.73 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 0.00 128 M 8.35 4.18 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 129 G 8.30 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 0.00 130 V 7.85 3.75 2.07 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 0.80 0.00 0.00 0.93 0.00 0.00 131 K 7.87 3.99 0.00 1.93 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.64 7.81 132 I 8.08 3.69 1.99 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 1.46 0.60 0.91 0.00 0.00 133 A 8.05 3.98 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 0.00 134 Q 8.22 3.99 0.00 2.39 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 135 S 7.90 4.12 0.00 4.08 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 0.00 136 L 8.19 4.11 0.00 1.83 1.71 0.92 0.80 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 0.00 137 S 8.43 4.07 0.00 3.92 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 0.00 138 D 8.42 4.52 0.00 2.97 2.72 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 0.00 139 E 7.98 4.24 0.00 2.13 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 2.40 0.00 140 N 8.23 4.82 0.00 2.72 2.79 0.00 0.00 6.88 7.67 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 0.00 141 V 7.83 3.72 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 0.79 0.00 0.00 0.93 0.00 0.00 142 L 7.52 4.24 0.00 1.87 1.58 1.02 1.07 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 0.00 143 N 8.51 4.64 0.00 2.71 2.80 0.00 0.00 6.57 7.46 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 *144 Y 7.90 4.26 0.00 2.26 1.97 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 * Residues marked with a * may have inaccurate shift predictions.