NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3689 0.0000 0.0000 61.9601 32.6781 175.6189 3 L 3.9112 8.1504 117.8838 53.5356 41.9492 175.1684 4 P 4.1993 0.0000 0.0000 63.1783 32.6860 175.8025 5 T 4.2535 7.8877 110.6070 59.9208 71.1018 173.5485 6 F 4.7805 8.2666 120.9145 55.2040 40.2640 174.7424 7 P 4.4439 0.0000 0.0000 65.3919 31.8658 176.0785 8 A 4.8925 7.5946 117.8847 50.8560 22.7068 175.0376 9 L 4.8592 8.9468 119.9361 52.8571 45.4385 175.6068 10 L 5.2616 8.8175 123.4669 53.0369 44.5765 175.4862 11 F 5.2747 9.0963 121.1744 55.2140 43.0074 175.1007 12 G 3.6636 8.9747 110.4386 47.0705 0.0000 172.3733 13 L 4.4189 8.9056 122.7735 56.5213 42.0062 176.2408 14 S 4.2218 9.1830 112.6682 59.4573 63.2273 175.1523 15 G 3.8230 8.9986 114.9891 46.2376 0.0000 173.5514 16 C 4.7002 6.7376 115.6246 60.2552 38.9767 175.1717 17 L 4.0592 8.1290 117.5891 57.2496 42.1246 177.4171 18 V 4.8283 7.1685 109.2594 59.0181 36.2564 173.8555 19 D 4.2905 8.5070 116.1773 54.7706 39.3215 173.6151 20 F 3.9168 8.0396 120.1396 60.2766 39.7617 174.8463 21 G 3.7054 8.7141 114.8481 45.5793 0.0000 173.0935 22 A 3.7828 7.7338 120.4508 51.8056 16.6299 179.5603 23 Q 4.0299 7.9498 119.7487 58.7038 28.7144 177.8322 24 A 4.0259 8.7811 122.4473 54.8532 18.1224 178.8509 25 A 4.1708 7.5701 117.2300 53.9075 18.5119 178.5101 26 T 4.3514 7.8134 107.3914 60.9278 69.9421 174.5193 27 S 4.6326 7.1366 114.4329 57.2318 65.6096 173.6507 28 D 4.5506 8.7431 125.8506 55.7713 41.1525 176.3903 29 T 4.6384 7.2200 109.5802 58.5030 70.8117 172.6115 30 P 4.2830 0.0000 0.0000 62.7559 32.2031 175.0357 31 D 4.7750 8.3018 120.4981 52.1078 42.8942 176.2621 32 D 4.3945 8.7082 127.0240 57.5015 40.6158 178.6070 33 E 3.9949 8.5869 119.2378 59.5346 29.4344 178.8250 34 H 4.4026 8.4042 115.7887 58.0144 28.5654 176.7421 35 A 4.2413 7.5110 120.9953 51.9419 18.3586 177.2170 36 Q 4.0313 7.4688 120.8176 55.8951 30.0452 175.9972 37 L 4.4354 8.5599 126.4562 55.0443 42.6092 177.1852 38 T 4.2640 8.7832 112.8481 60.6914 70.3880 172.2005 39 P 4.3652 0.0000 0.0000 64.4590 31.8680 177.2322 40 G 3.9835 9.0040 110.7744 45.7694 0.0000 175.1125 41 A 3.9840 8.1767 122.1005 55.3416 18.3660 179.5488 42 Q 3.9600 8.0870 116.0473 59.1136 28.6670 178.5696 43 N 4.2367 8.1271 117.0808 56.6977 39.1978 176.4745 44 A 4.0505 8.0904 122.0286 55.4075 18.4612 179.6714 45 L 4.1423 8.5118 117.7091 57.3426 41.6339 179.6119 46 K 3.6883 8.1152 119.6974 59.3445 32.1802 178.5551 47 A 3.9523 7.6185 121.0353 55.2432 18.0742 179.6869 48 L 3.9848 7.5913 116.0058 57.9124 42.0660 179.4210 49 R 3.3161 7.7539 118.9557 59.2467 29.5966 178.2263 50 D 4.2835 7.9815 117.9020 57.4844 40.8891 178.5816 51 Q 4.1282 8.0623 117.1397 55.5313 29.0018 173.2148 52 G 3.8974 7.2918 116.5896 44.2580 0.0000 171.3323 *54 P 4.4016 0.0000 0.0000 62.6116 33.0094 175.2960 55 C 6.0714 9.1165 120.6576 56.9327 32.1026 173.2618 56 A 4.9996 8.6086 122.8115 49.9299 22.7314 174.7023 57 W 5.5256 8.7222 117.0566 55.0429 31.4570 175.0898 58 I 4.9632 9.3006 122.1030 59.9816 40.3579 174.1717 59 D 5.7604 9.0395 124.5892 53.7450 44.4680 174.0142 60 E 4.4066 8.6802 115.0833 55.1819 30.7333 176.2686 61 L 4.0782 7.8548 119.7876 54.0929 42.4888 175.2720 62 P 4.3578 0.0000 0.0000 62.7560 32.1884 177.1143 63 E 3.9716 8.9735 120.8963 59.6710 29.1901 179.1191 64 A 4.0425 8.0848 119.2537 54.5301 18.6719 178.5948 65 L 4.3674 7.8718 117.0514 56.9811 42.6896 179.2202 66 S 4.0699 7.9081 113.4994 61.2060 62.9176 176.4214 67 T 3.8839 7.7924 118.8535 66.2749 68.6132 174.3685 68 P 4.3599 0.0000 0.0000 65.5633 31.1703 178.5727 69 L 3.8963 7.5664 116.4362 57.5408 41.7472 178.6729 70 A 3.8132 7.7922 118.3761 52.0955 18.4543 178.7238 71 A 3.9068 7.7198 122.1603 54.7629 18.3733 178.0788 72 P 4.4636 0.0000 0.0000 64.1876 31.8961 176.8996 73 V 4.4298 7.9598 111.7280 61.0754 33.2763 176.5804 74 N 4.7022 7.7029 115.9605 53.9520 37.4636 175.9631 75 D 4.6330 8.1838 119.3526 57.1114 41.4386 176.8905 76 W 5.2039 7.6342 115.6718 55.0033 28.2711 174.9260 *78 I 3.8959 7.5657 118.0025 61.9415 38.8478 176.1549 79 A 2.9028 8.3432 128.1139 50.4082 18.8253 177.0910 80 A 3.8951 7.5887 125.6661 51.5215 19.0046 175.8381 81 P 4.1983 0.0000 0.0000 62.0147 32.1625 176.4719 82 R 4.0001 8.2902 122.7299 55.5965 30.5949 174.6294 83 P 4.6550 0.0000 0.0000 62.3018 32.6850 176.5127 84 T 3.8486 8.5809 116.1060 66.1484 68.5554 174.8813 85 A 4.4502 7.8382 124.2582 50.3937 20.0172 177.1177 86 G 3.8707 8.2818 112.5299 43.9873 0.0000 172.4621 87 W 4.6664 8.1719 118.9837 56.7299 29.6165 174.4783 88 P 4.7395 0.0000 0.0000 62.7750 30.8418 175.8099 89 Q 4.2156 7.8306 118.6829 55.9283 29.2479 176.1437 90 P 3.6778 0.0000 0.0000 64.8734 30.8336 178.2482 91 D 4.4744 7.0380 118.4961 57.7791 40.8852 178.3141 92 A 4.2144 8.0508 118.7729 55.5911 18.5673 179.0609 93 C 4.2794 7.7809 114.4191 62.4195 28.1725 177.2545 94 W 4.7413 7.6205 117.3679 57.1241 28.1361 177.1757 *96 A 4.3802 8.1938 122.9758 52.4461 19.8381 181.1014 97 L 4.1978 8.0082 113.5089 55.2945 40.9734 179.1135 *99 A 4.2589 7.9989 123.5161 51.9663 20.1920 178.3557 100 L 4.4006 7.6158 113.2381 54.1229 41.8456 176.2147 101 N 4.2094 8.1687 114.5025 53.8171 36.1121 174.5802 102 V 3.7298 7.6601 117.4507 63.2925 32.0466 175.8960 103 S 4.5410 8.5952 120.4803 59.4966 63.9846 174.3193 104 Q 4.5652 7.6479 118.3746 53.7809 32.7370 174.3920 105 L 4.0730 8.7110 123.7170 57.8750 42.4333 176.9791 106 E 4.1176 8.1125 118.8805 58.0078 29.6063 176.8904 107 G 4.1428 9.2864 114.4132 45.3926 0.0000 173.1314 108 C 4.7290 8.2956 118.3488 59.8848 29.5406 172.9507 109 V 4.9226 8.4265 121.7481 61.0240 34.9761 173.7132 110 L 5.0296 8.8919 128.6292 53.2453 44.8000 174.8190 111 I 4.8596 8.1824 127.0365 59.6964 39.8854 174.5858 112 S 4.6538 8.7747 119.6214 57.6362 66.1807 175.2525 113 G 3.7695 8.6562 111.6460 45.2633 0.0000 173.1261 114 D 4.7027 7.9252 120.7047 52.0008 42.5852 175.2254 115 P 4.2616 0.0000 0.0000 65.6089 31.3600 178.9427 116 R 3.9411 8.6175 117.4993 59.0310 30.0808 178.7769 117 L 2.7255 7.5213 119.5922 57.5473 41.8982 178.5488 118 L 3.7856 7.9054 119.3926 57.9301 41.4987 179.2872 119 Q 3.8318 8.0807 119.3304 59.1425 28.8695 178.2410 120 S 4.6603 7.2509 115.5630 60.8018 62.3089 176.5025 121 G 3.4216 7.8150 108.2110 47.6330 0.0000 175.6702 122 L 3.9260 8.0231 121.7590 57.7055 41.4523 179.4125 123 N 4.2703 8.1923 115.2063 56.0115 38.5279 176.6425 124 A 3.7461 7.6548 120.0651 52.5269 18.6734 178.1845 125 G 3.9065 7.7574 105.5959 44.9411 0.0000 173.7227 126 L 4.5115 7.5739 119.0181 53.2980 43.0044 176.9250 127 W 4.2726 8.6626 120.6434 57.1022 30.3405 175.5872 128 T 5.1865 8.9594 112.1625 60.0426 72.0651 172.4609 129 I 4.6821 8.8654 125.2209 59.5824 40.3854 174.9199 130 G 4.7592 8.8948 114.5453 44.5321 0.0000 172.2388 131 L 5.3156 8.2141 121.3347 52.8093 43.2271 176.4626 132 A 4.2163 9.0233 125.3953 52.9890 19.4032 178.8117 133 S 3.8712 7.9917 110.1834 59.0803 65.0528 174.7017 134 C 2.5857 7.4265 112.1045 57.0879 30.1369 173.4974 135 G 3.9457 6.9609 110.7341 43.2781 0.0000 172.7278 136 P 4.2631 0.0000 0.0000 65.2478 31.3595 177.8750 137 L 4.1049 7.7755 118.2128 57.4419 41.3553 178.0292 138 C 4.2513 8.2012 116.1954 62.1759 28.5555 175.8467 139 G 4.0921 8.1214 105.3138 45.9805 0.0000 172.9239 140 L 4.9891 7.0725 119.6620 52.0600 44.2301 176.9067 141 S 4.6846 8.9915 118.1703 57.7397 64.8238 173.6856 142 P 3.9696 0.0000 0.0000 65.9676 31.0169 179.0547 143 S 4.1455 8.0622 112.2593 61.5811 62.7486 176.4447 144 Q 4.0273 7.9833 120.7825 58.3338 28.3069 178.0217 145 W 4.4773 8.9867 129.7417 60.8659 30.5720 178.0939 146 Q 4.0181 8.4581 116.6388 58.4589 28.2197 177.9636 147 A 4.1711 7.7862 120.6406 53.1483 18.6595 177.5171 148 L 4.1721 6.8636 116.7047 54.4056 42.5626 176.5579 149 N 4.7156 8.8641 119.0255 51.5259 40.2458 175.8782 150 N 4.1564 8.4747 117.1051 56.5799 38.4838 177.2457 151 A 4.0022 8.0142 121.3597 55.4284 18.3782 179.4286 152 E 3.8542 8.5898 117.0261 59.3877 29.5329 179.7513 153 R 3.1510 7.7251 118.1372 58.8391 29.9611 178.5916 154 E 3.9524 8.4515 119.5050 59.3597 29.6404 178.5354 155 Q 3.9662 8.2401 119.6419 59.4862 29.1207 178.7010 156 R 4.0495 8.0474 118.9685 59.1743 30.0240 179.2658 157 R 4.3291 8.6545 119.0430 58.8265 30.1730 178.8979 158 A 4.0605 8.3059 120.6660 55.2494 18.4406 179.7337 159 Q 3.9294 8.3413 116.2319 59.1256 28.8129 178.7516 160 A 3.9970 8.1195 121.7089 55.5057 18.3379 179.7605 161 T 3.6751 8.2669 114.4625 66.7882 68.5144 176.8693 162 L 4.1387 8.0329 120.7776 57.7719 41.7645 179.6615 163 K 3.9552 7.9827 118.1981 59.5571 31.8614 179.4299 164 L 3.9387 8.0645 119.2503 57.9881 41.5006 179.1864 165 Y 4.3047 8.0517 116.7940 61.1818 37.5337 178.7079 166 S 4.2091 8.2098 115.5448 61.6009 62.9736 176.4218 167 L 4.1610 7.6463 120.7807 56.5701 41.3195 178.1020 168 G 4.1192 7.7048 105.7678 45.0876 0.0000 174.1025 169 V 4.1975 7.1576 118.7470 62.7989 32.0086 175.8139 170 H 4.7987 8.4748 123.1933 58.6273 29.4977 176.0521 171 S 5.0058 7.9970 112.0984 57.1420 67.4978 173.4908 172 V 4.8127 8.5211 122.5894 61.0315 33.9581 174.4633 173 I 4.7173 8.4185 119.7281 59.1747 40.8109 176.1877 174 D 4.3739 8.8233 122.7997 57.4143 41.2908 176.0639 175 H 4.6612 7.3374 111.8518 53.4075 30.7800 174.5547 176 L 4.2699 8.4624 119.6069 57.3234 41.0543 179.7568 177 G 3.7924 8.4539 104.6760 47.0191 0.0000 174.3238 178 E 4.4356 8.0165 119.2752 56.2994 29.6821 177.7094 179 L 3.9335 7.9410 122.8331 58.0106 42.1739 178.3569 180 E 3.9050 8.1433 118.7156 59.6411 29.6801 178.9093 181 S 4.1476 8.0191 114.5832 61.5107 62.9209 176.1261 182 C 4.0597 8.1503 121.4387 62.4844 31.2863 175.5748 183 L 3.7133 8.1704 120.7198 57.7306 41.1512 179.3638 184 A 4.0468 8.1574 120.6668 55.3111 18.2276 179.2281 185 D 4.2982 8.1545 116.5070 57.3726 41.2473 178.5231 186 I 3.4212 7.8955 120.3148 64.0523 36.9875 178.1737 187 A 3.7126 8.3388 121.9004 54.8212 17.9404 179.4016 188 L 3.8317 7.5739 117.7209 58.4058 42.5728 178.8527 189 R 4.1055 8.0374 118.0735 59.6590 30.0545 179.1752 190 R 4.3407 8.5060 119.5027 58.7656 29.8141 179.2960 191 S 4.1929 7.9601 113.0165 60.7253 62.9354 175.6458 192 K 4.4427 7.6391 120.1880 55.9721 32.0560 177.5031 193 G 3.9815 8.0794 108.1075 44.9499 0.0000 173.8746 194 E 4.1869 8.0645 121.3842 55.9162 30.3428 175.6447 195 K 4.7323 8.2268 124.0922 53.4728 35.6162 174.3898 196 P 3.1182 0.0000 0.0000 62.7156 31.0632 176.5746 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 2 P 0.00 4.37 0.00 2.17 2.15 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.98 0.00 3 L 8.15 3.91 0.00 1.67 1.55 0.91 0.69 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 4 P 0.00 4.20 0.00 1.74 1.83 0.00 3.66 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 2.00 2.00 0.00 5 T 7.89 4.25 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 1.16 0.00 0.00 6 F 8.27 4.78 0.00 3.08 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 7 P 0.00 4.44 0.00 2.24 2.22 0.00 4.07 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 8 A 7.59 4.89 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 9 L 8.95 4.86 0.00 1.60 1.12 0.96 0.36 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 10 L 8.82 5.26 0.00 1.42 1.50 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 11 F 9.10 5.27 0.00 3.04 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 12 G 8.97 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 13 L 8.91 4.42 0.00 1.73 1.63 0.27 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.18 4.22 0.00 3.83 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 15 G 9.00 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 16 C 6.74 4.70 0.00 2.95 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 17 L 8.13 4.06 0.00 1.71 1.54 0.81 0.25 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 18 V 7.17 4.83 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 0.93 0.00 0.00 0.81 0.00 0.00 19 D 8.51 4.29 0.00 3.00 2.59 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 0.00 0.00 0.00 0.00 20 F 8.04 3.92 0.00 2.95 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 21 G 8.71 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 22 A 7.73 3.78 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 23 Q 7.95 4.03 0.00 1.89 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.52 2.37 0.00 24 A 8.78 4.03 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 25 A 7.57 4.17 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 26 T 7.81 4.35 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 1.21 0.00 0.00 27 S 7.14 4.63 0.00 3.86 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 28 D 8.74 4.55 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.22 4.64 4.23 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 1.21 0.00 0.00 30 P 0.00 4.28 0.00 2.17 2.21 0.00 3.69 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 1.97 2.04 0.00 31 D 8.30 4.77 0.00 2.45 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 0.00 0.00 0.00 32 D 8.71 4.39 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 33 E 8.59 3.99 0.00 2.16 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 2.33 2.33 0.00 34 H 8.40 4.40 0.00 3.28 3.38 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.51 4.24 1.24 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 0.00 0.00 36 Q 7.47 4.03 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 37 L 8.56 4.44 0.00 1.56 1.58 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.78 4.26 4.37 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 1.29 0.00 0.00 39 P 0.00 4.37 0.00 2.05 2.00 0.00 3.87 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 40 G 9.00 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 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0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 120 S 7.25 4.66 0.00 3.76 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 7.81 3.42 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 0.00 122 L 8.02 3.93 0.00 1.75 1.65 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 123 N 8.19 4.27 0.00 2.68 2.71 0.00 0.00 7.08 6.89 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 0.00 124 A 7.65 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 G 7.76 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 0.00 126 L 7.57 4.51 0.00 1.67 1.65 1.02 0.73 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 0.00 127 W 8.66 4.27 0.00 3.46 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 0.00 128 T 8.96 5.19 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 0.00 129 I 8.87 4.68 1.78 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.89 0.86 0.00 0.00 130 G 8.89 4.76 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 0.00 0.00 0.00 131 L 8.21 5.32 0.00 1.41 1.49 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 132 A 9.02 4.22 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 0.00 133 S 7.99 3.87 0.00 3.78 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 C 7.43 2.59 0.00 2.53 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 0.00 135 G 6.96 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 0.00 136 P 0.00 4.26 0.00 2.17 2.18 0.00 3.80 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 1.95 1.99 0.00 137 L 7.78 4.10 0.00 1.61 1.76 0.88 0.89 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 0.00 138 C 8.20 4.25 0.00 2.86 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 0.00 139 G 8.12 4.09 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 0.00 0.00 0.00 140 L 7.07 4.99 0.00 2.29 1.83 1.18 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 141 S 8.99 4.68 0.00 4.13 4.23 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 0.00 142 P 0.00 3.97 0.00 2.12 1.95 0.00 3.66 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 143 S 8.06 4.15 0.00 4.07 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 0.00 144 Q 7.98 4.03 0.00 2.44 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.98 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 145 W 8.99 4.48 0.00 3.69 3.22 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 0.00 146 Q 8.46 4.02 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 147 A 7.79 4.17 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 0.00 148 L 6.86 4.17 0.00 1.43 1.51 0.52 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 149 N 8.86 4.72 0.00 2.91 2.90 0.00 0.00 7.41 6.81 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 0.00 150 N 8.47 4.16 0.00 2.79 2.88 0.00 0.00 6.67 7.78 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 0.00 151 A 8.01 4.00 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 0.00 152 E 8.59 3.85 0.00 2.04 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 153 R 7.73 3.15 0.00 1.70 1.64 0.00 2.76 0.00 0.00 2.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.79 0.00 154 E 8.45 3.95 0.00 2.03 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 0.00 2.32 2.39 0.00 155 Q 8.24 3.97 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 156 R 8.05 4.05 0.00 2.10 2.27 0.00 3.18 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 157 R 8.65 4.33 0.00 2.17 2.09 0.00 3.47 0.00 0.00 3.54 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 158 A 8.31 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 0.00 159 Q 8.34 3.93 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 160 A 8.12 4.00 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 0.00 161 T 8.27 3.68 4.46 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 0.00 0.00 0.00 1.30 0.00 0.00 162 L 8.03 4.14 0.00 1.75 1.77 0.96 0.98 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 0.00 163 K 7.98 3.96 0.00 1.96 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.60 7.81 164 L 8.06 3.94 0.00 1.43 1.51 0.79 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 165 Y 8.05 4.30 0.00 3.04 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 0.00 166 S 8.21 4.21 0.00 4.03 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 0.00 167 L 7.65 4.16 0.00 1.84 1.69 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 168 G 7.70 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 169 V 7.16 4.20 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 0.72 0.00 0.00 0.89 0.00 0.00 170 H 8.47 4.80 0.00 3.54 3.80 0.00 5.90 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 S 8.00 5.01 0.00 3.78 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 V 8.52 4.81 1.75 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 0.73 0.00 0.00 -0.05 0.00 0.00 173 I 8.42 4.72 1.83 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 1.19 0.53 0.90 0.00 0.00 174 D 8.82 4.37 0.00 2.69 2.90 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 0.00 175 H 7.34 4.66 0.00 3.55 3.43 0.00 5.66 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 L 8.46 4.27 0.00 1.77 1.84 1.00 0.97 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 0.00 177 G 8.45 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 0.00 178 E 8.02 4.44 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 2.03 2.32 0.00 179 L 7.94 3.93 0.00 1.86 1.78 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 180 E 8.14 3.90 0.00 2.09 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 2.39 2.43 0.00 181 S 8.02 4.15 0.00 3.91 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 0.00 182 C 8.15 4.06 0.00 3.08 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 0.00 183 L 8.17 3.71 0.00 1.74 1.34 0.69 -0.35 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 0.00 184 A 8.16 4.05 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 0.00 185 D 8.15 4.30 0.00 2.96 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 I 7.90 3.42 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.35 -0.15 0.00 0.00 187 A 8.34 3.71 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 0.00 188 L 7.57 3.83 0.00 1.63 1.90 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 189 R 8.04 4.11 0.00 1.95 2.26 0.00 3.24 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 1.77 1.77 0.00 190 R 8.51 4.34 0.00 1.85 1.93 0.00 2.63 0.00 0.00 2.85 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.18 0.00 191 S 7.96 4.19 0.00 4.00 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 0.00 192 K 7.64 4.44 0.00 1.95 1.89 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.59 7.81 193 G 8.08 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 0.00 194 E 8.06 4.19 0.00 2.22 2.22 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 2.58 2.46 0.00 195 K 8.23 4.73 0.00 1.67 1.57 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.62 7.81 196 P 0.00 3.12 0.00 1.64 1.39 0.00 3.41 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.44 0.00 * Residues marked with a * may have inaccurate shift predictions.