NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2756 8.1593 117.3738 63.4799 69.5867 173.6864 2 S 4.3470 8.4251 121.5769 56.1266 64.7615 173.2419 3 K 4.0399 8.7579 121.0615 59.5300 32.5864 179.5769 4 K 3.8771 8.0569 119.4489 59.5598 31.8694 178.3932 5 K 4.0230 7.7032 118.6293 58.6456 32.1962 178.0016 6 R 4.3608 7.4853 116.1417 56.4212 30.4587 177.2766 7 Q 3.9365 7.7670 119.5169 58.1495 29.0328 176.2959 8 R 4.0466 7.7987 117.2168 58.2971 30.0205 176.0795 9 G 4.1129 9.0102 111.7913 45.8165 0.0000 174.5423 10 S 4.1225 7.9149 113.4095 58.9815 63.2753 174.2097 11 R 4.1722 7.9572 124.6998 57.1008 29.1992 176.5784 12 T 4.2786 7.6122 105.0290 61.4145 69.6271 174.2813 13 H 4.3870 8.3903 118.0391 55.8465 26.8821 175.8417 14 G 3.9464 8.5755 105.8114 45.6544 0.0000 174.9460 15 G 3.8670 8.2040 107.7437 45.4823 0.0000 175.6281 16 G 3.9663 7.8164 106.8893 45.0338 0.0000 174.6203 17 S 4.2267 8.5113 118.1520 58.3687 62.7778 174.5202 18 H 4.4403 8.8124 120.6691 57.0271 28.3074 175.8406 19 K 4.1365 7.5523 118.6561 56.9368 31.8939 177.5159 20 N 4.3439 7.5842 117.3282 55.8399 39.2695 177.0668 21 R 4.4541 7.4587 119.2917 56.0706 29.0881 177.2493 22 R 4.6173 7.2516 122.7057 56.2676 30.8770 179.4702 23 G 4.0417 8.4514 121.4107 46.1259 0.0000 173.7628 24 A 4.2880 8.6370 121.0250 54.1173 18.5501 179.8610 25 G 3.7474 8.0163 104.4613 47.7765 0.0000 175.2216 26 H 4.4434 8.0346 119.1327 58.1724 29.9684 176.4410 27 R 4.4504 7.8831 117.2564 55.2069 30.8404 176.3925 28 G 3.7902 7.5295 106.5222 46.8168 0.0000 173.1550 29 G 4.0666 8.1496 105.4275 43.4183 0.0000 174.4436 30 R 4.1398 8.6665 120.1079 56.5812 31.7979 175.8139 31 G 3.9083 8.1999 113.4770 47.5475 0.0000 173.4892 32 D 4.7381 8.6221 123.0545 53.9313 40.7313 175.5428 33 A 3.9786 7.4333 123.1756 53.6298 18.8507 178.7221 34 G 3.8180 8.9464 110.4238 46.3610 0.0000 175.4073 35 R 3.9216 7.5913 115.8012 57.3032 29.3325 177.0719 36 D 5.0511 7.9028 115.6215 52.5513 42.1078 175.8481 37 K 4.2077 8.3810 118.4681 57.2525 32.3148 176.9141 38 H 4.6031 9.6017 124.2811 58.2071 29.6023 176.5970 39 E 4.7362 7.7437 120.2059 55.5651 30.1578 177.9395 40 F 4.9572 8.4173 116.0151 59.3119 38.1806 175.0510 41 H 3.6059 6.2981 118.5203 57.3765 28.6999 174.5130 42 N 4.2240 8.7397 119.1406 54.4178 36.1112 173.5259 43 H 4.8499 7.5521 114.3130 53.9256 30.5617 175.0125 44 E 4.1807 8.5639 122.3732 55.3308 29.9919 175.5072 45 P 4.4618 0.0000 0.0000 62.4451 31.9995 176.2267 46 L 4.0298 8.1609 119.9596 55.4514 42.1300 176.0399 47 G 4.2100 8.1627 106.8182 43.4795 0.0000 173.0289 48 K 4.5462 8.1372 119.2775 54.7871 33.8347 176.7402 49 S 4.3462 8.2133 116.2427 57.8351 64.9949 175.0593 50 G 4.0420 9.1853 118.5047 44.8997 0.0000 171.4894 51 F 5.0347 8.4753 112.2857 55.2426 41.0885 173.4590 52 K 4.2562 8.2982 119.4980 54.4179 34.8609 176.4419 53 R 4.4047 8.0069 121.8087 54.1594 31.4714 174.7383 54 P 4.2936 0.0000 0.0000 63.1482 31.9005 177.2424 55 Q 4.1450 8.9293 121.2017 58.6987 28.7474 178.4935 56 K 4.3047 7.9661 114.2367 57.4552 33.2483 177.1645 57 V 4.1671 7.7696 118.5000 62.6935 31.7920 174.7668 58 Q 4.4881 7.4958 117.2673 55.1076 29.6650 174.8241 59 E 4.5445 8.6295 122.4852 54.7536 31.3815 174.9980 60 E 4.5522 8.5460 123.0141 54.3573 32.1298 174.3683 61 A 4.2424 8.3588 128.7053 50.8650 20.4036 176.2072 62 A 4.4290 8.5657 123.8832 50.9488 20.1023 176.5320 63 T 4.8875 8.2510 112.6471 60.9981 71.2684 174.2940 64 I 4.5488 8.0440 122.5677 60.0299 42.1173 173.8755 65 D 5.1563 8.6909 128.5236 53.4418 42.1872 177.9240 66 V 3.7035 8.2027 115.2201 64.5538 31.4409 179.0395 67 R 3.8781 7.7200 118.1636 59.3753 29.6291 178.2151 68 E 3.9554 7.8680 117.9165 59.0643 29.4194 178.6089 69 I 3.8279 7.5881 119.4692 64.4760 37.1323 177.7896 70 D 4.3169 8.1776 117.8896 57.2970 41.1116 177.7974 71 E 4.1854 8.0883 118.1435 58.0390 29.5685 177.2679 72 N 4.9485 7.4545 114.9412 52.9616 39.3028 177.3755 73 V 3.3516 7.7199 114.6192 64.4777 31.7066 178.0452 74 T 4.0138 7.5007 108.5867 64.1419 68.9813 175.5818 75 L 4.1126 7.7297 120.8667 56.5964 42.8782 177.4218 76 L 4.3815 7.3042 121.2824 53.6026 40.2260 177.4163 77 A 4.2937 7.6003 119.7528 53.7205 19.3179 178.5248 78 A 4.2154 7.9260 117.1611 53.0827 18.7791 176.3087 79 D 5.0687 7.2036 114.0774 51.8273 44.4097 175.8240 80 D 4.4467 8.6109 119.1636 54.8298 41.9696 176.1510 81 V 4.0995 8.4975 123.1048 61.5784 32.4387 174.3642 82 A 4.6449 7.9720 135.0000 51.0779 20.6126 176.7180 83 E 3.9551 8.5688 112.8447 58.4563 30.0450 176.7165 *89 F 4.5536 7.7152 118.5194 57.5378 40.9334 173.7088 90 R 5.2219 8.7124 122.2586 54.5482 32.3313 175.0515 91 V 4.4938 8.6637 125.6740 59.9981 35.2403 174.2315 92 D 4.7622 8.7765 124.7385 53.0072 41.3441 176.8416 93 V 3.6789 8.5213 128.1328 65.8813 31.7138 178.2730 94 R 4.0147 8.0076 117.5863 58.3975 29.8952 177.3553 95 D 4.6897 7.7319 116.2007 54.5680 41.4871 178.0409 96 V 3.9000 7.4730 118.6337 64.0368 32.4423 176.4771 97 V 3.7174 7.1833 117.1031 62.6308 32.0609 175.2082 98 E 4.2599 8.5157 126.0547 56.8592 29.0561 175.6195 99 E 3.7038 8.6073 117.5140 57.7636 26.7963 175.7542 100 A 4.3294 8.0593 119.2408 52.9013 19.2361 179.2107 101 D 4.5043 7.9860 116.5773 57.1238 41.2525 177.5854 102 D 4.4830 7.9587 114.6257 54.0828 40.0449 176.0496 103 A 4.4462 7.0036 121.3473 51.5059 19.9236 177.2688 104 D 4.7624 8.7386 121.4501 57.4426 41.5021 176.1983 105 Y 4.8806 7.5525 114.0350 56.0590 42.0140 173.3904 106 V 4.6545 9.0912 120.1984 60.9946 33.8859 174.1858 107 K 4.8965 8.8432 128.9197 54.5303 35.1004 174.5430 108 V 4.5573 8.1717 127.2280 61.5066 33.2538 174.8878 109 L 4.4821 9.2435 128.4245 52.8261 44.1931 176.8737 110 G 4.3192 7.7037 107.2559 45.6117 0.0000 174.0070 111 A 4.5990 7.9656 122.4442 51.4339 21.1111 177.4784 112 G 3.9204 8.8481 108.7799 44.5524 0.0000 172.3073 113 Q 4.5414 8.1556 116.4021 54.1227 30.8878 175.9677 114 V 4.3437 8.0382 119.4099 61.5165 32.0209 175.4881 115 R 4.2475 8.8752 125.9117 56.8909 30.4979 176.2472 116 H 4.9367 7.9149 114.5973 53.4993 31.9274 173.1190 117 E 4.5017 8.7823 119.0904 55.6692 29.6393 175.4007 118 L 5.0319 8.5034 124.6953 53.2791 45.2255 176.0830 119 T 5.0382 8.6528 118.9915 60.9985 70.5767 172.2594 120 L 5.1537 8.3276 126.3687 53.2996 44.2789 175.6064 121 I 5.5058 8.6895 123.8013 59.0458 39.5588 174.5888 122 A 4.7495 8.6004 127.4044 50.6139 22.5145 176.2045 123 D 4.4389 8.6559 118.5117 57.1457 41.6944 176.8823 124 D 4.8948 8.0251 116.2106 52.8265 45.0954 174.3407 125 F 5.4255 8.7263 121.5154 55.8368 43.4530 174.4187 126 S 4.6747 8.4579 115.7895 56.9768 65.2199 174.8578 127 E 3.9676 8.9609 121.2614 59.2772 29.3424 179.0037 128 G 3.7414 8.0757 106.4622 47.4124 0.0000 175.3166 129 A 4.1978 7.9010 121.9943 54.8252 18.3355 180.0066 130 R 3.8139 7.9065 116.2316 59.6169 30.4070 178.5947 131 E 3.9874 7.9936 117.8910 59.6862 29.2340 179.6693 132 K 4.1174 7.6187 115.8940 58.6046 32.1820 178.9767 133 V 3.9180 7.3775 117.8278 65.3636 31.4601 177.9026 134 E 4.3288 8.0915 120.3661 58.5719 29.1671 179.2082 135 G 3.6260 8.1073 106.3587 47.2164 0.0000 173.9008 136 A 4.5674 7.3858 122.2216 51.6567 19.3150 175.1608 137 G 3.6609 7.7597 112.5791 45.9495 0.0000 173.7585 138 G 4.1017 7.0276 112.4089 46.5383 0.0000 168.6878 139 S 4.9493 7.6642 113.8932 56.2968 66.5617 173.5090 140 V 4.3170 8.0086 119.3407 61.2179 33.9088 174.1668 141 E 4.6178 9.0306 128.5582 54.5618 31.4788 175.0332 142 L 5.0199 8.4917 127.1457 54.5967 43.4274 176.4925 143 T 4.3200 8.3727 122.8352 63.2212 69.5101 175.4792 144 D 4.4225 8.7023 122.1663 57.0423 41.4448 177.9731 145 L 4.1264 7.9647 120.9119 57.3431 42.3716 177.9631 146 G 3.8265 7.6708 104.6723 46.3220 0.0000 173.5886 147 E 4.3845 7.4742 120.0658 56.1626 28.6668 176.6703 148 E 4.5153 7.6645 116.6037 56.8544 32.1906 178.3604 149 R 4.2973 7.7002 118.5903 54.3772 28.1004 176.1843 150 Q 4.1579 7.6553 121.6873 56.5283 28.8524 173.5692 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 T 8.16 4.28 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 2 S 8.43 4.35 0.00 4.05 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 3 K 8.76 4.04 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.49 7.81 4 K 8.06 3.88 0.00 1.86 1.80 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.52 7.81 5 K 7.70 4.02 0.00 1.73 2.00 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.51 7.81 6 R 7.49 4.36 0.00 1.94 1.92 0.00 3.20 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 7 Q 7.77 3.94 0.00 1.84 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.98 0.00 0.00 0.00 0.00 0.00 2.62 2.39 0.00 8 R 7.80 4.05 0.00 1.79 1.90 0.00 3.36 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 9 G 9.01 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 10 S 7.91 4.12 0.00 4.00 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 11 R 7.96 4.17 0.00 1.98 2.10 0.00 3.20 0.00 0.00 3.27 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 12 T 7.61 4.28 4.33 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 1.31 0.00 0.00 13 H 8.39 4.39 0.00 3.20 3.40 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.58 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 0.00 0.00 0.00 15 G 8.20 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 16 G 7.82 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 17 S 8.51 4.23 0.00 3.87 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 18 H 8.81 4.44 0.00 3.31 3.39 0.00 5.57 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.55 4.14 0.00 1.71 1.80 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.27 1.29 7.81 20 N 7.58 4.34 0.00 2.81 2.59 0.00 0.00 6.95 7.15 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 21 R 7.46 4.45 0.00 1.79 1.91 0.00 3.19 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 22 R 7.25 4.62 0.00 1.75 1.07 0.00 3.23 0.00 0.00 3.20 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 23 G 8.45 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 0.00 0.00 0.00 0.00 24 A 8.64 4.29 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 25 G 8.02 3.75 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 0.00 0.00 0.00 26 H 8.03 4.44 0.00 3.13 3.47 0.00 5.93 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.88 4.45 0.00 2.08 1.94 0.00 3.31 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 28 G 7.53 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 0.00 0.00 0.00 29 G 8.15 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 30 R 8.67 4.14 0.00 1.91 1.81 0.00 3.38 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 31 G 8.20 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.62 4.74 0.00 2.73 2.68 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 33 A 7.43 3.98 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 34 G 8.95 3.82 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 0.00 0.00 0.00 35 R 7.59 3.92 0.00 1.74 2.01 0.00 2.74 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 36 D 7.90 5.05 0.00 2.75 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 37 K 8.38 4.21 0.00 1.88 1.71 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.41 1.53 7.81 38 H 9.60 4.60 0.00 3.33 3.46 0.00 5.47 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.74 4.74 0.00 2.07 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 2.25 2.12 0.00 40 F 8.42 4.96 0.00 3.25 3.29 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 41 H 6.30 3.61 0.00 3.01 3.05 0.00 5.81 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 42 N 8.74 4.22 0.00 2.79 2.84 0.00 0.00 7.01 8.16 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 43 H 7.55 4.85 0.00 3.39 3.25 0.00 5.85 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.56 4.18 0.00 1.99 1.91 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 2.33 2.25 0.00 45 P 0.00 4.46 0.00 2.19 2.09 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 46 L 8.16 4.03 0.00 1.66 1.65 0.91 0.94 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 47 G 8.16 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.14 4.55 0.00 1.76 1.76 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.41 7.81 49 S 8.21 4.35 0.00 3.78 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 50 G 9.19 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 0.00 0.00 0.00 0.00 51 F 8.48 5.03 0.00 3.12 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 52 K 8.30 4.26 0.00 1.67 1.61 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.20 1.34 7.81 53 R 8.01 4.40 0.00 1.72 1.85 0.00 3.32 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.41 0.00 54 P 0.00 4.29 0.00 2.22 2.22 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 55 Q 8.93 4.14 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 56 K 7.97 4.30 0.00 1.86 1.92 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.42 7.81 57 V 7.77 4.17 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 58 Q 7.50 4.49 0.00 2.34 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.42 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 59 E 8.63 4.54 0.00 2.07 2.05 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 2.51 2.33 0.00 60 E 8.55 4.55 0.00 1.97 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 2.17 2.21 0.00 61 A 8.36 4.24 0.36 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 62 A 8.57 4.43 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.25 4.89 4.18 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 1.11 0.00 0.00 64 I 8.04 4.55 1.82 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 1.20 1.35 0.91 0.00 0.00 65 D 8.69 5.16 0.00 2.74 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 66 V 8.20 3.70 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 0.91 0.00 0.00 0.99 0.00 0.00 67 R 7.72 3.88 0.00 1.99 1.99 0.00 3.08 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 68 E 7.87 3.96 0.00 2.02 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 0.00 2.30 2.32 0.00 69 I 7.59 3.83 1.98 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 1.51 1.10 0.90 0.00 0.00 70 D 8.18 4.32 0.00 2.75 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 71 E 8.09 4.19 0.00 2.03 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 2.33 2.47 0.00 72 N 7.45 4.95 0.00 2.70 2.72 0.00 0.00 6.86 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.72 3.35 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 0.42 0.00 0.00 0.35 0.00 0.00 74 T 7.50 4.01 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 1.19 0.00 0.00 75 L 7.73 4.11 0.00 1.75 1.74 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.30 4.38 0.00 1.79 1.59 0.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.60 4.29 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 78 A 7.93 4.22 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 79 D 7.20 5.07 0.00 2.65 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.61 4.45 0.00 2.93 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 81 V 8.50 4.10 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 0.52 0.00 0.00 1.01 0.00 0.00 82 A 7.97 4.64 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 83 E 8.57 3.96 0.00 2.05 2.05 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 2.25 2.31 0.00 *89 F 7.72 4.55 0.00 3.13 3.04 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 0.00 90 R 8.71 5.22 0.00 1.85 1.82 0.00 3.22 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 91 V 8.66 4.49 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 0.72 0.00 0.00 1.00 0.00 0.00 92 D 8.78 4.76 0.00 2.81 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 93 V 8.52 3.68 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 0.85 0.00 0.00 0.99 0.00 0.00 94 R 8.01 4.01 0.00 1.98 1.99 0.00 3.26 0.00 0.00 3.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 95 D 7.73 4.69 0.00 2.80 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 96 V 7.47 3.90 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 0.78 0.00 0.00 0.92 0.00 0.00 97 V 7.18 3.72 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 0.81 0.00 0.00 0.97 0.00 0.00 98 E 8.52 4.26 0.00 1.97 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 0.00 2.28 2.30 0.00 99 E 8.61 3.70 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 100 A 8.06 4.33 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.99 4.50 0.00 2.67 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 0.00 102 D 7.96 4.48 0.00 2.77 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 0.00 103 A 7.00 4.45 1.25 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 0.00 104 D 8.74 4.76 0.00 2.79 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 0.00 105 Y 7.55 4.88 0.00 3.02 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 0.00 106 V 9.09 4.65 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 0.83 0.00 0.00 0.90 0.00 0.00 107 K 8.84 4.90 0.00 1.77 1.46 0.00 1.90 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.46 7.81 108 V 8.17 4.56 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 1.03 0.00 0.00 0.70 0.00 0.00 109 L 9.24 4.48 0.00 1.75 1.56 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 110 G 7.70 4.32 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 0.00 111 A 7.97 4.60 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 0.00 112 G 8.85 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 0.00 113 Q 8.16 4.54 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 114 V 8.04 4.34 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 0.99 0.00 0.00 0.98 0.00 0.00 115 R 8.88 4.25 0.00 1.92 1.87 0.00 3.15 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 116 H 7.91 4.94 0.00 3.07 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.78 4.50 0.00 2.13 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 0.00 2.31 2.40 0.00 118 L 8.50 5.03 0.00 1.66 1.65 0.95 0.68 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 0.00 119 T 8.65 5.04 4.29 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 1.23 0.00 0.00 120 L 8.33 5.15 0.00 1.86 1.86 1.12 0.80 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 0.00 121 I 8.69 5.51 2.13 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.86 1.04 0.00 0.00 122 A 8.60 4.75 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.66 4.44 0.00 2.88 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 0.00 124 D 8.03 4.89 0.00 2.90 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.73 5.43 0.00 2.92 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 0.00 126 S 8.46 4.67 0.00 3.96 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.96 3.97 0.00 2.05 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 0.00 2.53 2.33 0.00 128 G 8.08 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 0.00 129 A 7.90 4.20 1.58 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 0.00 0.00 130 R 7.91 3.81 0.00 2.03 1.94 0.00 3.14 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 131 E 7.99 3.99 0.00 2.06 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 2.34 2.55 0.00 132 K 7.62 4.12 0.00 1.86 1.88 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.57 7.81 133 V 7.38 3.92 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 1.07 0.00 0.00 1.05 0.00 0.00 134 E 8.09 4.33 0.00 2.18 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 2.29 2.25 0.00 135 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 0.00 136 A 7.39 4.57 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 0.00 137 G 7.76 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.03 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 0.00 139 S 7.66 4.95 0.00 3.67 3.93 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 0.00 140 V 8.01 4.32 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 0.41 0.00 0.00 141 E 9.03 4.62 0.00 1.98 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 2.23 2.21 0.00 142 L 8.49 5.02 0.00 1.71 1.62 1.26 1.13 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 0.00 143 T 8.37 4.32 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 0.00 144 D 8.70 4.42 0.00 2.68 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 L 7.96 4.13 0.00 1.69 1.79 0.94 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.67 3.83 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 0.00 0.00 0.00 147 E 7.47 4.38 0.00 2.18 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 0.00 2.34 2.48 0.00 148 E 7.66 4.52 0.00 1.84 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 2.15 2.38 0.00 149 R 7.70 4.30 0.00 1.81 1.91 0.00 3.29 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 150 Q 7.66 4.16 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.