NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.2939 8.2649 123.5739 51.9372 19.9217 176.7363 6 H 4.2395 8.6054 120.4333 52.8369 29.4671 173.0090 7 P 4.4283 0.0000 0.0000 63.0805 32.5354 176.0470 8 I 4.2443 8.1834 112.8266 61.4200 38.5174 175.0080 9 S 4.7034 7.4418 113.8428 57.4185 65.0202 173.5250 10 R 4.1071 8.6141 123.6376 57.4815 30.1296 175.7557 11 Y 4.4596 7.6504 114.5493 55.2274 40.1888 173.4686 12 P 4.3208 0.0000 0.0000 62.8693 31.8443 176.4764 13 V 4.3188 8.1318 121.3784 60.2788 32.6582 173.7910 14 P 4.5631 0.0000 0.0000 62.2411 32.3467 175.9015 15 E 4.2673 8.4646 119.3541 55.7638 30.3901 178.3099 16 L 3.9284 8.5316 122.2548 58.5349 40.8189 179.2086 17 A 3.9370 8.0313 121.2111 54.7793 18.3601 177.8127 18 A 4.2654 7.9388 116.5841 52.8976 18.9885 177.2312 19 L 4.5854 7.2621 115.8510 52.1219 43.7601 175.3636 20 P 4.3460 0.0000 0.0000 63.0958 33.2004 177.4758 21 D 4.3584 8.5970 120.3955 57.5586 40.8574 178.8659 22 D 4.4440 8.0408 119.2224 56.5047 39.4498 178.6816 23 I 3.5692 7.5556 120.7008 64.1069 37.1817 178.2117 24 R 3.8470 8.0189 119.5783 59.1542 29.7625 178.3798 25 Q 3.8858 8.4813 119.9775 59.1499 29.1108 178.1221 26 R 3.8419 8.0632 119.6827 59.6360 29.9961 178.5445 27 I 3.3599 7.6589 119.3288 64.1504 36.9895 178.2960 28 L 4.0272 8.0619 119.6474 57.1703 41.5039 179.2397 29 E 3.9197 8.2868 119.3932 59.2295 29.3215 179.6377 30 V 3.5246 7.5217 119.3227 64.5355 31.3904 178.3201 31 Q 3.9651 7.5662 121.7862 58.2539 28.6432 177.3971 32 D 4.2742 7.9024 118.2567 57.3153 41.3195 177.9994 33 K 4.0019 7.7391 118.0902 59.3223 32.3880 177.9151 34 A 4.3747 8.3602 118.7125 51.6009 19.5287 178.1643 35 G 3.9181 10.0517 105.2688 45.2405 0.0000 172.7103 36 F 4.6639 6.9623 112.8424 56.0389 40.1973 172.8644 37 V 4.2944 8.3784 121.0151 60.1420 32.4786 173.5795 38 P 5.1246 0.0000 0.0000 63.4337 31.9352 177.3090 39 N 4.6069 9.9328 120.6539 55.8431 38.2324 177.9667 40 V 3.4255 7.9739 120.6992 64.5451 31.2534 178.3907 41 F 4.3464 8.5555 118.4711 60.6383 38.6527 177.7729 42 L 4.2083 8.1644 117.0713 57.7824 41.3035 179.0757 43 T 4.1775 8.0499 109.8703 64.5508 69.0935 176.8631 44 L 4.0771 7.8877 120.8890 56.5306 41.4420 178.9237 45 A 4.0384 7.9212 120.3950 55.1829 18.2676 178.5018 46 H 4.3514 7.8270 115.5631 57.9580 30.9518 175.2200 47 R 4.5125 7.9288 119.6988 52.4778 30.5877 173.7169 48 P 4.3500 0.0000 0.0000 65.7555 31.4189 177.5668 49 D 4.4750 8.1353 117.0059 57.3540 40.6986 178.5127 50 E 4.1000 8.1780 118.7171 59.0353 29.7129 178.4559 51 F 4.1698 8.8817 121.1863 61.6089 39.3601 177.5536 52 R 4.2545 8.4819 117.1284 59.5340 30.0138 178.9890 53 A 4.0866 7.9561 120.7276 54.9127 18.3595 179.3270 54 F 4.0431 8.6986 119.6486 61.7806 39.5341 177.5145 55 F 4.1951 8.3308 116.6057 59.9011 38.8380 177.7055 56 A 4.0628 8.3044 121.0792 55.0264 17.9100 179.0869 57 Y 3.6472 7.8576 118.1372 60.7953 38.6476 176.8707 58 H 3.2993 7.1010 117.8155 59.4708 29.8978 176.5001 59 D 4.5144 7.8804 118.6755 57.2584 40.7235 178.0694 60 A 4.1255 7.5184 120.0042 54.6380 18.2444 178.6674 61 L 4.4592 7.1121 114.7093 55.0085 42.2139 177.5984 *63 L 4.3242 7.8110 119.4875 54.0364 43.5394 177.4094 64 K 4.1554 7.9109 117.0681 56.8317 33.0976 175.6281 65 D 4.7579 8.2310 119.8123 53.2636 40.8242 176.7052 66 G 4.0449 7.8645 110.2695 45.5812 0.0000 173.6593 67 G 4.0313 8.8795 106.7874 46.9380 0.0000 173.7806 68 L 4.7674 7.0683 119.6072 53.5346 43.0414 177.2668 69 T 4.2650 8.5343 114.1024 60.9656 71.2205 175.9935 70 K 4.0697 8.3724 120.4645 59.7632 32.3091 179.4761 71 G 3.7917 7.8267 106.9712 47.3128 0.0000 174.7740 72 E 4.1502 7.8849 120.3666 59.2300 29.5349 179.4943 73 R 4.1187 7.8342 117.4543 59.1484 30.1742 180.2512 74 E 3.8774 8.0158 117.9496 56.3475 29.5104 179.2460 *76 I 3.9166 7.8010 121.4811 61.4403 39.5640 178.5455 77 V 3.2068 7.1717 119.1634 65.8519 31.2386 178.3491 78 V 3.4523 7.7763 117.8942 65.7084 31.2108 177.8625 79 A 3.8904 7.7331 120.2949 55.4420 18.1206 179.6231 80 T 3.7873 7.5788 106.9181 64.6903 69.2895 176.8812 81 S 4.5578 8.6278 119.5229 60.9892 63.0202 176.1136 82 A 3.9532 7.8188 123.0507 55.6185 17.7851 179.6274 83 A 4.0187 7.5764 117.9005 54.8230 18.5192 178.6388 84 N 4.5208 7.8237 112.1599 52.3881 40.0609 175.1787 85 Q 3.1080 7.3701 118.7632 56.7414 26.8854 175.2976 86 C 4.9826 7.2701 118.4487 56.7889 33.0813 172.4480 87 L 3.9153 8.3915 130.4999 58.4046 41.7421 177.7959 88 Y 3.9593 8.0282 118.7163 61.1146 38.8567 177.7758 89 C 4.0081 8.0595 116.9582 62.5673 28.3504 176.1113 90 V 3.4417 7.6426 119.8322 66.0179 31.0046 178.3465 91 V 3.2434 7.4707 117.6078 65.6254 31.1666 177.8706 92 A 2.5800 7.3118 120.4728 55.0880 18.0941 179.3172 93 H 4.1767 7.8751 113.9879 57.8262 28.7903 178.2818 94 G 3.4653 7.9107 108.1061 47.5511 0.0000 175.6149 95 A 3.9979 7.5308 123.3685 54.9518 18.3543 179.8042 96 I 3.3839 7.3383 118.1165 64.2776 37.1812 178.3072 97 L 3.9435 7.9074 121.1798 58.3705 41.3542 179.2553 98 R 3.9585 8.0738 117.8448 59.4117 30.0145 178.9077 99 I 3.7618 7.5511 119.4394 64.6237 36.9278 177.8929 100 Y 4.5256 8.0093 117.3397 61.2295 37.9921 177.9632 101 E 4.2718 8.4735 117.9049 56.2229 30.1438 176.6764 102 K 3.8621 7.7815 116.9374 57.5998 30.4655 176.3837 103 K 4.5352 7.5161 117.1222 53.1595 32.6666 175.1853 104 P 4.2924 0.0000 0.0000 64.9134 31.6450 177.4706 105 L 4.4645 7.7833 116.5662 55.5761 42.8011 178.9251 106 V 3.7914 7.7362 118.8936 64.5566 31.0952 178.2942 107 A 4.0193 7.8936 121.0996 54.8630 18.4463 179.0003 108 D 4.3137 8.0535 116.9576 57.6118 40.9493 178.9041 109 Q 3.9876 7.7734 118.2643 59.1523 28.5708 179.1934 110 V 3.6891 7.6985 117.4708 65.7830 31.5856 177.5827 111 A 4.0999 8.2003 120.3212 54.9842 18.3132 179.4830 112 V 4.0133 7.6528 115.3346 64.6171 32.5788 176.4829 113 N 4.6960 8.1646 120.1669 52.6574 39.9021 173.9265 114 Y 4.1812 8.6184 124.2631 59.2343 38.2481 178.7566 115 L 3.8171 7.3695 118.9974 56.3232 41.7399 177.4281 116 K 4.4863 8.0429 116.5032 55.6211 33.2012 176.1343 117 A 4.3861 7.7567 122.3144 52.0208 19.0522 179.2216 118 D 4.7866 9.1099 122.4710 53.5145 38.7076 175.9169 119 I 4.7136 7.2191 113.5301 57.1960 41.3606 174.8335 120 P 4.5695 0.0000 0.0000 61.8690 33.5128 175.3885 121 P 4.2684 0.0000 0.0000 65.8612 30.8469 178.9565 122 R 3.8588 7.8725 116.1928 59.5828 30.2139 178.1828 123 Q 4.2591 8.0234 116.1372 58.9625 29.1679 177.9563 124 R 4.2480 8.1112 119.5743 59.2926 29.8880 178.3108 125 A 4.2320 7.9283 119.1225 52.6196 18.4931 179.1495 *127 L 3.9962 7.9504 123.1349 56.4406 44.1933 179.2330 128 D 4.5106 8.2378 119.8139 56.9043 40.7554 178.7188 129 F 4.0891 8.0034 120.8813 60.8865 39.3051 177.0788 130 A 3.7669 7.7592 120.0209 55.2233 18.2615 179.4660 131 L 3.9568 8.0705 117.7905 57.5349 41.4641 179.9137 132 K 3.7750 7.6153 119.3992 59.4359 31.9621 179.0179 133 V 3.1288 6.9664 117.1079 65.8853 31.3582 177.2464 134 C 4.1236 8.1248 117.7461 62.0867 31.6257 174.9816 135 K 4.4157 8.0141 116.5257 56.1631 33.9756 176.8865 136 A 4.7242 8.6835 124.2156 50.6587 19.8617 177.7653 137 S 4.0557 7.9883 118.8410 61.2616 63.6591 176.7453 138 H 4.2917 8.2530 115.2506 57.5692 28.3612 175.5688 139 E 4.3455 7.4740 118.4034 55.7432 29.6121 176.1154 140 V 3.7597 7.5125 120.8039 62.8820 32.0840 174.7499 141 N 5.2657 9.4351 123.8559 50.1766 40.7336 174.9272 142 E 4.2933 8.8700 116.3241 59.5422 29.3169 179.3393 143 A 4.1191 8.2852 120.6081 54.8106 18.3001 179.4054 144 D 4.3577 8.1951 117.5438 57.3581 40.8097 178.8872 145 F 3.9988 8.0088 117.9062 60.4710 39.0343 177.0357 146 E 3.9802 8.5632 118.8305 59.3747 29.0548 178.6811 147 A 4.0757 8.1573 120.6963 55.2331 18.3862 179.6565 148 L 4.3575 7.7457 117.2061 57.9459 41.6932 179.7766 149 R 4.2581 8.3474 119.8602 58.8319 29.7596 178.9556 150 E 3.9994 8.1556 117.5061 59.0219 29.4717 178.0279 151 H 4.6620 7.5122 114.2588 55.3417 29.1201 175.9871 152 G 3.8078 8.0356 109.5250 45.1336 0.0000 173.6956 153 F 4.6812 8.1821 119.4288 56.8749 40.0269 175.9561 154 T 4.3457 8.9956 116.2686 60.5845 71.6372 175.7187 155 D 4.4271 8.5555 120.2248 57.8750 40.7531 179.1063 156 E 4.1304 8.1685 118.2983 59.3050 29.6523 178.9359 157 D 4.4754 8.2323 119.0549 57.0605 40.7740 178.6151 158 A 3.8216 8.1191 121.3950 54.7941 18.4138 179.3361 159 W 4.1914 8.3335 126.8047 60.8874 30.7542 177.7433 160 D 4.6253 8.5559 118.7330 57.6272 40.2806 179.0235 161 I 3.7153 7.9480 119.9116 64.4330 37.1863 178.4093 162 A 3.9332 8.6268 121.7677 55.0599 18.1822 179.5615 163 A 3.9639 8.4608 119.8122 55.0725 18.5210 180.0392 164 I 3.8753 8.0471 118.4840 64.8469 37.3011 178.5715 165 T 3.8178 7.9015 116.3805 66.6920 68.1756 176.3720 166 A 3.8872 7.9484 122.3780 55.1575 18.4037 179.5397 167 F 3.6750 8.1441 119.0691 61.2376 39.4117 177.2766 168 F 3.9127 8.8667 117.0049 59.2990 38.8131 177.6886 169 G 3.5340 7.8371 105.6527 47.1249 0.0000 175.7570 170 L 3.8124 7.0214 122.0484 57.9664 42.1143 178.7219 171 S 4.1233 7.1370 112.0617 61.2950 62.4467 175.5126 172 N 4.5562 8.2641 119.5487 56.3258 38.1919 178.0905 173 R 4.0707 7.5747 114.9267 57.0111 29.6426 178.2908 *175 A 4.1978 7.9196 124.0701 52.4072 20.6715 179.7607 176 N 4.3926 8.5851 113.5619 56.8017 38.8686 177.8295 177 T 3.8755 8.2649 114.5406 66.1801 68.7472 175.2142 178 I 4.2660 7.8154 112.2591 59.5942 38.2967 172.0759 179 G 4.0827 7.5215 117.0379 44.8915 0.0000 173.5195 *181 R 4.1962 8.2611 121.1699 55.2042 31.0729 173.2316 182 P 5.3503 0.0000 0.0000 62.1192 33.0217 175.6737 183 N 4.6894 9.1416 117.8782 53.0946 39.0483 175.9475 184 D 4.5749 8.8670 121.4645 57.8561 41.5503 179.1142 185 E 3.8508 7.8126 118.2395 59.3719 29.0585 179.1933 186 F 4.5539 7.4966 116.1842 60.4023 38.9286 177.3642 187 F 4.3497 8.0175 115.8866 58.7397 39.5545 175.2411 188 L 4.4537 7.5960 120.5331 52.9712 39.7780 176.4689 *190 G 3.9657 8.0070 110.7996 44.5672 0.0000 172.3827 191 R 3.9637 7.6949 117.8141 57.7782 30.3185 176.7028 192 V 4.3037 7.1250 117.3632 60.0884 33.4415 173.3481 193 P 4.4337 0.0000 0.0000 63.2256 32.4003 177.0434 194 K 4.2065 8.5578 119.3886 55.2765 31.5795 176.1609 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 5 A 8.26 4.29 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.61 4.24 0.00 3.27 3.26 0.00 5.71 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.43 0.00 2.35 2.07 0.00 3.82 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 2.02 1.97 0.00 8 I 8.18 4.24 1.92 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 1.35 0.69 0.98 0.00 0.00 9 S 7.44 4.70 0.00 3.82 3.86 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 0.00 0.00 0.00 10 R 8.61 4.11 0.00 1.93 2.04 0.00 3.27 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.51 0.00 11 Y 7.65 4.46 0.00 2.85 2.63 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 12 P 0.00 4.32 0.00 2.19 2.05 0.00 3.60 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 13 V 8.13 4.32 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 0.96 0.00 0.00 0.97 0.00 0.00 14 P 0.00 4.56 0.00 2.22 2.05 0.00 4.07 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 2.00 2.00 0.00 15 E 8.46 4.27 0.00 2.02 1.90 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 2.41 2.24 0.00 16 L 8.53 3.93 0.00 1.79 1.92 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.03 3.94 1.30 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 0.00 0.00 0.00 18 A 7.94 4.27 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 19 L 7.26 4.59 0.00 1.69 1.48 0.82 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.35 0.00 2.22 1.96 0.00 3.49 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 2.06 2.16 0.00 21 D 8.60 4.36 0.00 2.67 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 22 D 8.04 4.44 0.00 2.91 2.95 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 23 I 7.56 3.57 1.77 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 1.15 0.90 0.02 0.00 0.00 24 R 8.02 3.85 0.00 1.83 1.88 0.00 3.07 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 25 Q 8.48 3.89 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 26 R 8.06 3.84 0.00 2.04 2.08 0.00 3.30 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 27 I 7.66 3.36 2.01 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 1.62 0.86 0.87 0.00 0.00 28 L 8.06 4.03 0.00 1.64 1.66 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.29 3.92 0.00 2.12 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 2.30 2.40 0.00 30 V 7.52 3.52 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.76 0.00 0.00 31 Q 7.57 3.97 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 32 D 7.90 4.27 0.00 2.76 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 33 K 7.74 4.00 0.00 2.12 1.93 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.33 7.81 34 A 8.36 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 10.05 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 6.96 4.66 0.00 3.19 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 37 V 8.38 4.29 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 0.92 0.00 0.00 0.94 0.00 0.00 38 P 0.00 5.12 0.00 2.88 2.70 0.00 3.74 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 39 N 9.93 4.61 0.00 2.92 2.89 0.00 0.00 6.47 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.97 3.43 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 0.97 0.00 0.00 0.70 0.00 0.00 41 F 8.56 4.35 0.00 3.36 3.24 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 0.00 42 L 8.16 4.21 0.00 1.72 1.82 1.03 0.96 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 43 T 8.05 4.18 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 1.32 0.00 0.00 44 L 7.89 4.08 0.00 1.78 1.65 -0.39 0.46 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 45 A 7.92 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.83 4.35 0.00 3.32 3.47 0.00 5.89 0.00 0.00 0.00 0.00 7.08 0.00 0.00 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0.00 55 F 8.33 4.20 0.00 3.15 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 56 A 8.30 4.06 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 57 Y 7.86 3.65 0.00 2.98 1.67 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 58 H 7.10 3.30 0.00 2.64 3.35 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 7.88 4.51 0.00 2.75 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 60 A 7.52 4.13 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 61 L 7.11 4.46 0.00 1.69 1.73 0.87 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 *63 L 7.81 4.32 0.00 1.84 1.80 1.07 1.03 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 64 K 7.91 4.16 0.00 1.85 2.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 124 R 8.11 4.25 0.00 1.97 2.11 0.00 3.09 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.82 0.00 125 A 7.93 4.23 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 *127 L 7.95 4.00 0.00 1.66 1.00 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.24 4.51 0.00 2.94 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 0.00 129 F 8.00 4.09 0.00 2.92 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 0.00 130 A 7.76 3.77 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.07 3.96 0.00 1.59 1.67 0.83 0.35 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 0.00 132 K 7.62 3.78 0.00 1.72 1.58 0.00 1.57 0.00 0.00 1.44 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.32 7.81 133 V 6.97 3.13 1.83 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 0.64 0.00 0.00 0.05 0.00 0.00 134 C 8.12 4.12 0.00 2.88 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 0.00 135 K 8.01 4.42 0.00 1.67 1.78 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.53 7.81 136 A 8.68 4.72 1.14 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 0.00 137 S 7.99 4.06 0.00 3.90 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 0.00 138 H 8.25 4.29 0.00 3.28 3.44 0.00 5.51 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 7.47 4.35 0.00 1.97 1.90 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 2.08 1.67 0.00 140 V 7.51 3.76 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 0.82 0.00 0.00 0.73 0.00 0.00 141 N 9.44 5.27 0.00 2.95 2.91 0.00 0.00 6.60 7.23 0.00 0.00 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 E 8.87 4.29 0.00 2.08 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 2.48 2.37 0.00 143 A 8.29 4.12 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 0.00 144 D 8.20 4.36 0.00 2.73 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 0.00 145 F 8.01 4.00 0.00 3.26 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 0.00 146 E 8.56 3.98 0.00 2.10 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 2.34 2.37 0.00 147 A 8.16 4.08 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 0.00 148 L 7.75 4.36 0.00 1.84 1.79 -0.26 1.07 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 0.00 149 R 8.35 4.26 0.00 2.04 2.01 0.00 3.16 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.80 0.00 150 E 8.16 4.00 0.00 2.11 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 2.34 2.57 0.00 151 H 7.51 4.66 0.00 3.52 3.32 0.00 5.65 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 G 8.04 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 0.00 0.00 0.00 153 F 8.18 4.68 0.00 3.19 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 0.00 154 T 9.00 4.35 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 1.24 0.00 0.00 155 D 8.56 4.43 0.00 2.79 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 0.00 156 E 8.17 4.13 0.00 1.98 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 2.37 2.28 0.00 157 D 8.23 4.48 0.00 3.11 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 0.00 158 A 8.12 3.82 1.48 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 0.00 0.00 159 W 8.33 4.19 0.00 3.63 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 0.00 160 D 8.56 4.63 0.00 3.01 2.81 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 0.00 161 I 7.95 3.72 2.14 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.58 1.01 0.00 0.00 162 A 8.63 3.93 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 0.00 163 A 8.46 3.96 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 0.00 164 I 8.05 3.88 1.92 0.00 0.00 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 1.66 0.66 0.97 0.00 0.00 165 T 7.90 3.82 4.34 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 1.14 0.00 0.00 166 A 7.95 3.89 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 0.00 167 F 8.14 3.67 0.00 2.58 2.86 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 0.00 0.00 0.00 168 F 8.87 3.91 0.00 3.21 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 0.00 169 G 7.84 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 0.00 0.00 0.00 170 L 7.02 3.81 0.00 1.33 1.43 0.82 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 0.00 171 S 7.14 4.12 0.00 3.29 3.76 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 0.00 172 N 8.26 4.56 0.00 2.88 2.83 0.00 0.00 7.05 7.51 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 0.00 173 R 7.57 4.07 0.00 1.94 1.88 0.00 3.18 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 *175 A 7.92 4.20 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 0.00 176 N 8.59 4.39 0.00 2.84 2.87 0.00 0.00 7.06 6.59 0.00 0.00 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 T 8.26 3.88 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 1.24 0.00 0.00 178 I 7.82 4.27 2.02 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 1.30 0.85 0.77 0.00 0.00 179 G 7.52 4.08 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 0.00 *181 R 8.26 4.20 0.00 1.88 1.98 0.00 3.41 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 182 P 0.00 5.35 0.00 2.32 2.01 0.00 4.08 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.08 0.00 183 N 9.14 4.69 0.00 2.39 2.67 0.00 0.00 7.01 8.08 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 0.00 184 D 8.87 4.57 0.00 2.70 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 0.00 185 E 7.81 3.85 0.00 1.16 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 1.82 2.15 0.00 186 F 7.50 4.55 0.00 2.91 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 0.00 187 F 8.02 4.35 0.00 3.19 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 0.00 188 L 7.60 4.45 0.00 1.81 1.57 0.95 1.08 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 *190 G 8.01 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 0.00 191 R 7.69 3.96 0.00 1.85 2.03 0.00 3.39 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 192 V 7.13 4.30 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 0.83 0.00 0.00 0.95 0.00 0.00 193 P 0.00 4.43 0.00 2.24 2.05 0.00 3.99 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 2.00 1.97 0.00 194 K 8.56 4.21 0.00 1.94 1.67 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 0.98 7.81 * Residues marked with a * may have inaccurate shift predictions.