NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.5243 8.3444 118.9561 56.0548 30.2529 173.7930 3 L 4.6962 8.3195 121.7386 52.8478 45.4044 173.5730 4 T 5.6804 8.5242 118.7793 60.2159 71.2261 171.6080 5 H 4.8843 8.4523 124.9963 54.6040 33.7903 172.3183 6 Q 4.7248 8.4243 122.2935 55.7049 29.8654 175.9857 7 L 4.2572 8.5382 122.3483 54.5725 42.7583 177.4894 8 D 4.4450 9.4916 122.8858 57.4168 41.0869 177.7961 9 L 4.5229 7.9984 114.2239 54.5522 42.8041 177.1082 10 F 4.9133 7.6462 116.4418 53.4111 39.2756 173.5547 11 P 4.3452 0.0000 0.0000 64.7106 32.0023 177.2793 12 E 4.3413 8.3218 114.9286 56.9237 30.2563 175.2737 13 C 5.2957 8.4160 118.6369 58.3237 31.3896 172.9618 14 R 5.1006 8.6606 120.8164 54.4307 33.5915 174.5206 15 V 4.6140 8.6994 123.6522 61.6660 33.6534 174.4303 16 T 4.8589 8.4503 124.7491 61.5719 71.4659 173.0666 17 L 5.2218 8.7762 125.8642 52.8548 44.8980 175.3660 18 L 4.9266 9.0407 123.6151 52.8137 44.9144 175.2548 19 L 5.1250 8.2168 125.4935 53.5258 44.9236 174.9228 20 F 5.1308 9.2767 125.1015 56.4697 43.3592 174.5031 21 K 4.9139 8.7525 125.6244 53.5481 35.9333 173.0744 22 D 4.5305 8.5315 116.7189 55.8755 38.0442 174.6820 23 V 3.9484 7.9414 119.2171 62.3265 32.4381 176.4341 24 K 4.1884 8.3244 127.0465 57.4728 32.9295 177.0528 25 N 4.9647 7.6595 116.1717 51.9707 38.1490 176.7139 26 A 4.0220 8.2612 122.7859 56.4512 18.4720 179.3980 27 G 3.7153 8.1549 103.6725 48.3511 0.0000 175.3391 28 D 4.3854 7.8607 120.3864 56.9090 41.1780 178.6801 29 L 3.9265 8.0781 119.6006 57.5458 41.2818 179.6624 30 R 3.9406 8.0008 120.6256 59.9765 30.1443 178.9822 31 R 4.0991 7.4250 119.2533 61.6113 29.7252 180.5400 32 K 4.6433 8.5991 120.6735 58.2407 32.0512 179.0271 33 A 3.8700 7.6306 117.7731 53.8776 17.9842 178.5719 *35 E 4.0894 8.0961 119.3187 55.8868 31.3597 177.7224 36 G 3.7884 7.7962 104.1368 46.8983 0.0000 173.6433 37 T 4.4802 7.9162 107.5347 60.7908 68.9298 174.1322 38 I 4.5921 7.2379 120.6857 59.8651 41.0046 174.3619 39 D 4.4490 8.5057 127.1235 54.9084 41.4896 176.4656 40 G 4.0576 8.7863 107.0974 45.2189 0.0000 172.6129 41 S 4.7262 9.1337 115.1228 57.0518 64.6004 173.6406 42 L 4.8667 8.5003 124.7022 53.5500 43.4122 175.5410 43 I 4.8790 8.8196 124.8362 58.9690 41.4609 174.2727 44 N 4.6265 9.3078 125.8138 53.5733 39.0658 173.6897 45 P 4.4754 0.0000 0.0000 64.4732 32.1373 178.1950 46 T 4.1819 7.8267 109.0751 63.7293 68.9157 175.5898 47 V 4.3654 7.2738 114.3739 60.9330 31.9880 175.2149 48 I 4.6203 7.4120 121.3024 59.9011 37.9560 176.2421 49 V 3.9594 8.4745 119.5513 62.6978 32.2724 176.2877 50 D 4.5403 7.7413 116.3710 51.3453 43.9304 174.0652 51 P 4.2555 0.0000 0.0000 66.0453 31.2146 178.3558 52 F 4.0184 9.0302 119.6288 61.4233 38.9481 177.0160 53 Q 3.8474 8.2515 119.1085 59.1079 28.7544 178.4374 54 I 3.6380 7.9057 121.0462 64.2361 37.1859 178.1371 55 L 3.7987 7.7042 119.3075 57.9419 41.4341 179.4636 56 V 3.2927 7.2121 117.5675 66.1222 31.4075 177.9614 57 A 3.8813 7.6274 120.0382 54.7904 18.0574 179.5942 58 A 3.8562 8.0506 119.6346 55.2200 18.5890 179.3191 59 N 4.1290 8.4040 115.4317 56.5920 38.8034 177.4818 60 K 3.8404 8.0658 120.4435 59.3739 32.1342 178.7067 61 A 4.0695 7.8938 120.9171 55.1359 18.3598 179.8307 62 V 3.5543 8.0121 117.0170 66.4808 31.4117 177.9226 63 H 4.3461 8.2546 114.7929 58.4536 28.7327 176.9648 64 L 4.3889 7.5023 119.6161 56.7054 42.0592 178.1134 65 Y 4.1853 8.2962 120.2297 60.7263 38.7754 177.9838 66 K 4.0519 8.1012 116.4263 57.7201 32.0892 177.2509 67 L 4.5361 7.4682 116.8595 53.3258 43.2749 176.3987 68 G 3.8372 7.8741 106.5067 46.5066 0.0000 173.5571 69 K 4.4562 7.9504 118.5827 54.2111 33.8799 177.1791 *71 K 4.2451 8.5159 122.1303 55.7506 34.1463 175.3600 72 T 4.5133 7.8404 108.4047 58.8847 71.3389 174.9699 73 R 3.8639 8.3551 121.3689 59.6310 30.3650 176.5101 74 T 4.6029 7.4072 108.9698 59.4743 71.7757 173.6769 75 L 3.8398 8.4282 126.4547 58.4990 41.4188 179.6108 76 S 4.3580 7.8503 115.9742 61.2859 62.7070 176.7503 77 T 4.0282 7.8252 117.9822 66.2703 68.1438 176.3956 78 E 4.0222 8.1906 121.6438 59.1285 29.4284 178.8911 79 I 3.6681 7.3311 118.9617 64.4454 37.5017 178.1064 80 I 3.8625 7.4185 119.5383 64.4256 36.8351 178.1856 81 F 4.3018 8.5228 121.6419 61.5305 38.9840 176.8189 82 N 4.1583 8.2707 114.7842 55.5559 38.2846 176.9292 83 L 3.8816 7.1944 120.2694 56.2289 42.0882 177.6506 84 S 3.7918 6.3678 113.3118 56.9742 62.8040 172.3638 85 P 4.3206 0.0000 0.0000 64.4877 31.6561 176.0063 86 N 4.8634 7.6557 116.3054 51.8298 40.2187 174.7643 87 N 4.6673 8.5596 116.9189 55.7941 39.2629 176.3290 88 N 4.4462 7.8083 117.9842 53.5035 39.7686 175.1219 89 I 3.6056 8.4125 129.4974 64.6887 37.3135 178.5625 90 S 4.1951 8.0857 114.4184 61.3764 62.8088 175.8887 91 E 3.9864 8.7967 122.9393 58.9314 29.3539 178.6089 92 A 4.2355 8.0686 120.7574 55.2504 18.5185 179.6584 93 L 4.0799 8.1893 117.6341 57.6023 41.4202 179.6295 94 K 3.9266 7.7271 118.6959 59.6155 32.2714 178.7638 95 K 3.9951 7.9602 117.3448 58.6855 32.3340 177.8444 96 F 4.5136 8.5876 116.7442 57.9167 41.0902 176.8404 97 G 4.3911 8.4186 106.6060 45.7654 0.0000 173.3465 98 I 4.6701 8.1902 113.3570 60.1613 39.1544 175.3578 99 S 4.7621 9.4270 117.2830 55.8954 65.9328 174.8255 100 A 4.0964 8.6837 123.7260 54.9983 18.0212 178.2479 101 N 4.9497 7.9141 111.1904 53.1801 39.1668 174.4671 102 D 4.7024 7.8363 118.3827 54.2421 41.7873 176.5770 103 T 4.9586 8.3193 110.3111 60.6632 70.5900 173.2522 104 S 5.2944 8.0501 117.7702 57.0771 66.4129 173.4599 105 I 4.7499 8.9148 123.7193 59.4960 41.7606 173.8041 106 L 5.1776 8.8069 128.2117 53.5130 44.3458 174.8830 107 I 4.9182 9.0517 128.2065 60.0710 39.3188 174.8712 108 V 5.0059 8.8999 127.2141 61.2290 34.1657 173.8643 109 Y 5.2143 8.6018 124.6577 55.5989 41.7726 173.7720 110 I 5.6132 8.3975 120.9677 59.1812 39.7309 174.6856 111 E 4.9116 8.7071 123.6708 54.7760 33.3123 175.9315 112 E 4.9150 8.6792 118.9115 55.5555 31.7508 175.8991 *116 Q 4.1310 7.8102 115.6691 55.5356 28.7080 173.3525 117 I 3.7968 8.3146 123.0115 60.8389 37.6357 175.4456 118 N 4.9094 9.8856 123.7171 51.2419 40.5693 171.4890 119 Q 4.9440 7.9453 130.8717 56.2205 27.1330 174.0403 120 E 4.3786 7.6697 121.8657 58.1267 30.6913 178.0523 121 Y 4.3825 7.7601 122.4865 60.0757 39.1160 176.6036 122 L 3.8006 8.2276 120.7887 58.4731 42.1265 178.9648 123 I 3.8892 8.2272 120.1395 64.2929 37.0317 178.0383 124 S 4.3448 7.6628 113.4158 59.8458 62.7081 176.2153 125 Q 3.8133 7.3078 122.0928 57.5602 28.5691 176.5111 126 V 3.5557 6.9280 122.2995 62.7213 32.3292 177.3621 127 E 4.3156 8.9465 128.3881 53.8807 28.3890 170.5034 128 G 4.3275 7.3011 110.0915 46.7247 0.0000 172.2816 *129 H 4.9506 8.5937 118.5598 53.9532 29.7446 171.2697 130 Q 4.0551 8.8057 125.0832 54.7919 29.1609 175.2816 131 V 4.4054 7.4835 118.5173 59.2436 34.5339 176.0417 132 S 4.3072 8.3045 116.0334 57.9145 63.0893 175.0563 133 L 4.1531 8.4580 126.4576 57.8621 41.1518 180.0509 134 K 3.9950 7.6183 122.6646 58.7715 31.7628 181.9840 135 N 5.1204 7.7633 115.8064 54.1508 38.9357 176.2940 136 L 3.9433 7.9621 122.1297 58.5697 42.0421 176.7343 137 P 4.2344 0.0000 0.0000 65.1296 31.3484 176.7863 138 E 4.1841 8.1097 114.9186 56.5403 30.2058 175.6596 139 I 4.1345 7.1965 114.0654 59.5391 37.4898 175.6301 *141 N 4.4188 8.2726 124.0973 53.2748 39.4226 173.7778 142 I 3.7694 7.9832 127.9883 63.9437 38.1493 177.3303 143 T 4.0263 7.9512 110.2005 64.3840 68.7675 176.5732 144 E 3.9357 8.6210 121.8167 59.2213 29.5085 179.1195 145 V 3.7175 7.8562 118.2438 66.2838 31.6817 178.1987 146 K 4.1376 8.1999 120.2327 60.0497 31.5427 180.1661 147 K 4.0816 7.7728 123.9774 59.7430 31.4669 182.0627 148 I 3.9615 7.6388 120.1099 63.6857 37.1808 177.1946 149 Y 4.5224 7.9915 114.7040 56.3250 39.6217 175.6162 150 K 3.8722 7.2586 118.4610 56.9502 29.5007 173.9729 151 L 4.8465 8.0518 119.6853 51.9144 44.8985 176.9640 152 S 4.2595 8.4610 115.1188 58.4992 63.4137 174.6028 153 S 4.1676 8.9739 121.2115 62.1582 62.8659 175.5306 154 Q 3.8728 8.2579 120.6275 55.1521 28.0195 179.0693 155 E 4.1282 8.8053 119.2208 55.2287 30.0171 173.0582 156 E 4.8914 8.3423 123.3041 52.6226 33.5072 176.0963 157 S 4.3343 8.2501 113.9295 58.3634 64.9329 174.7659 158 I 3.8028 8.4713 125.0772 64.7553 36.8833 178.4944 159 G 3.9632 8.1429 105.6819 48.3604 0.0000 175.5318 160 T 3.8353 7.4014 117.1680 66.1267 68.5133 176.7702 161 L 3.9373 8.7014 122.0158 57.6034 41.6074 179.0955 162 L 3.8656 8.6889 121.3843 58.4202 41.8841 178.5789 163 D 4.3358 7.9784 118.2552 57.6589 40.8042 178.9531 164 A 3.9741 7.9551 120.8196 55.1970 18.0432 179.8290 165 I 3.3513 7.4412 117.6915 64.4181 37.2211 178.3337 166 I 3.8279 8.0697 119.9953 64.3629 37.1167 178.1341 167 C 4.3527 8.4135 118.0001 62.7807 27.5129 176.5495 168 R 4.0390 7.8641 118.1557 57.4955 30.2866 178.5688 *170 S 4.0893 8.0655 116.7181 58.5095 64.6755 174.8426 171 T 4.2566 7.8924 108.0520 61.5014 69.1961 174.9095 172 K 3.9120 7.4461 124.8403 57.8181 32.5037 176.2416 173 D 4.3154 8.5239 120.5998 55.2603 37.4269 173.0037 174 V 4.3445 7.7424 119.5897 60.5799 33.6750 176.5370 175 L 4.1161 8.1839 125.1554 56.3482 39.8604 176.9019 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 Q 8.34 4.52 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.66 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 3 L 8.32 4.70 0.00 1.72 1.47 0.92 0.40 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 4 T 8.52 5.68 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 5 H 8.45 4.88 0.00 3.25 3.06 0.00 5.91 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.42 4.72 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 7 L 8.54 4.26 0.00 2.02 1.73 0.96 1.01 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 8 D 9.49 4.44 0.00 2.81 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 9 L 8.00 4.52 0.00 1.60 1.18 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 10 F 7.65 4.91 0.00 3.17 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.35 0.00 2.05 2.13 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 12 E 8.32 4.34 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 13 C 8.42 5.30 0.00 3.10 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 14 R 8.66 5.10 0.00 1.74 1.75 0.00 3.12 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 15 V 8.70 4.61 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 0.87 0.00 0.00 0.90 0.00 0.00 16 T 8.45 4.86 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 1.05 0.00 0.00 17 L 8.78 5.22 0.00 1.55 1.52 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 18 L 9.04 4.93 0.00 1.76 1.64 1.02 1.03 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 19 L 8.22 5.13 0.00 1.70 1.38 0.95 0.96 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 20 F 9.28 5.13 0.00 3.10 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 21 K 8.75 4.91 0.00 1.43 1.62 0.00 1.95 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.25 7.81 22 D 8.53 4.53 0.00 2.86 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 23 V 7.94 3.95 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 0.92 0.00 0.00 0.96 0.00 0.00 24 K 8.32 4.19 0.00 1.82 1.82 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.50 7.81 25 N 7.66 4.96 0.00 2.79 2.94 0.00 0.00 6.16 7.00 0.00 0.00 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 A 8.26 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.15 3.72 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 0.00 0.00 0.00 28 D 7.86 4.39 0.00 2.67 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 29 L 8.08 3.93 0.00 1.78 1.66 0.83 0.54 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 30 R 8.00 3.94 0.00 1.88 2.12 0.00 3.50 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 31 R 7.42 4.10 0.00 1.92 1.84 0.00 3.32 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 32 K 8.60 4.64 0.00 1.76 1.87 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.47 7.81 33 A 7.63 3.87 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 E 8.10 4.09 0.00 2.19 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 2.29 2.49 0.00 36 G 7.80 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 37 T 7.92 4.48 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 1.22 0.00 0.00 38 I 7.24 4.59 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.78 0.91 0.00 0.00 39 D 8.51 4.45 0.00 2.54 2.47 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 40 G 8.79 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 9.13 4.73 0.00 3.77 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 42 L 8.50 4.87 0.00 1.62 1.61 0.93 0.79 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 43 I 8.82 4.88 2.06 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 1.21 0.84 1.02 0.00 0.00 44 N 9.31 4.63 0.00 2.98 2.72 0.00 0.00 6.77 7.74 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 45 P 0.00 4.48 0.00 2.37 2.32 0.00 3.51 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 46 T 7.83 4.18 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 1.25 0.00 0.00 47 V 7.27 4.37 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 0.59 0.00 0.00 0.72 0.00 0.00 48 I 7.41 4.62 1.93 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.95 1.01 0.00 0.00 49 V 8.47 3.96 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 0.65 0.00 0.00 0.91 0.00 0.00 50 D 7.74 4.54 0.00 2.71 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 51 P 0.00 4.26 0.00 2.22 2.12 0.00 3.70 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 2.14 2.18 0.00 52 F 9.03 4.02 0.00 3.14 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 53 Q 8.25 3.85 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 54 I 7.91 3.64 1.94 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 1.60 0.77 0.87 0.00 0.00 55 L 7.70 3.80 0.00 1.37 1.49 0.74 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.21 3.29 1.79 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 0.87 0.00 0.00 0.31 0.00 0.00 57 A 7.63 3.88 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 58 A 8.05 3.86 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 59 N 8.40 4.13 0.00 2.69 2.71 0.00 0.00 6.71 7.47 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 60 K 8.07 3.84 0.00 1.84 1.89 0.00 1.58 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 61 A 7.89 4.07 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 62 V 8.01 3.55 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 0.88 0.00 0.00 0.87 0.00 0.00 63 H 8.25 4.35 0.00 3.37 3.42 0.00 5.71 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 64 L 7.50 4.39 0.00 2.01 1.76 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 8.30 4.19 0.00 3.04 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 66 K 8.10 4.05 0.00 1.76 1.77 0.00 0.87 0.00 0.00 1.45 0.00 0.00 2.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.29 7.81 67 L 7.47 4.54 0.00 1.59 1.65 0.95 0.92 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 68 G 7.87 3.84 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 0.00 0.00 0.00 69 K 7.95 4.46 0.00 1.77 1.75 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.53 7.81 *71 K 8.52 4.25 0.00 1.77 1.72 0.00 1.72 0.00 0.00 2.00 0.00 0.00 3.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.53 7.81 72 T 7.84 4.51 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 0.87 0.00 0.00 73 R 8.36 3.86 0.00 1.76 2.00 0.00 3.25 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 74 T 7.41 4.60 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 1.21 0.00 0.00 75 L 8.43 3.84 0.00 1.24 1.40 0.66 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 76 S 7.85 4.36 0.00 3.94 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 77 T 7.83 4.03 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 78 E 8.19 4.02 0.00 2.25 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 0.00 2.35 2.47 0.00 79 I 7.33 3.67 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.75 0.89 0.00 0.00 80 I 7.42 3.86 2.06 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 1.47 0.79 1.05 0.00 0.00 81 F 8.52 4.30 0.00 3.08 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 82 N 8.27 4.16 0.00 2.79 2.75 0.00 0.00 7.11 8.70 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 83 L 7.19 3.88 0.00 1.02 1.10 0.97 0.86 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 84 S 6.37 3.79 0.00 3.62 3.58 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 85 P 0.00 4.32 0.00 2.18 2.22 0.00 3.42 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 86 N 7.66 4.86 0.00 2.83 2.85 0.00 0.00 7.00 7.50 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 87 N 8.56 4.67 0.00 2.79 2.99 0.00 0.00 6.87 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 7.81 4.45 0.00 2.92 3.04 0.00 0.00 7.11 7.70 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 89 I 8.41 3.61 1.72 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 0.60 0.15 0.69 0.00 0.00 90 S 8.09 4.20 0.00 4.05 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 91 E 8.80 3.99 0.00 2.10 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 2.37 2.35 0.00 92 A 8.07 4.24 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 93 L 8.19 4.08 0.00 1.77 1.79 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.73 3.93 0.00 1.83 2.05 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 95 K 7.96 4.00 0.00 1.70 1.29 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.38 7.81 96 F 8.59 4.51 0.00 3.17 3.12 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 97 G 8.42 4.39 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 0.00 98 I 8.19 4.67 1.88 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 1.42 0.66 0.91 0.00 0.00 99 S 9.43 4.76 0.00 3.91 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 0.00 100 A 8.68 4.10 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 0.00 101 N 7.91 4.95 0.00 2.70 2.81 0.00 0.00 6.92 8.06 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 0.00 102 D 7.84 4.70 0.00 2.69 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 0.00 103 T 8.32 4.96 4.25 0.00 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0.00 131 V 7.48 4.41 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 0.68 0.00 0.00 0.88 0.00 0.00 132 S 8.30 4.31 0.00 3.82 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.46 4.15 0.00 1.75 1.69 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 134 K 7.62 4.00 0.00 1.82 1.74 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.33 7.81 135 N 7.76 5.12 0.00 2.91 2.78 0.00 0.00 7.09 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.96 3.94 0.00 1.95 1.65 0.98 1.03 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 P 0.00 4.23 0.00 2.08 2.13 0.00 3.78 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 2.03 2.10 0.00 138 E 8.11 4.18 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.24 0.00 139 I 7.20 4.13 1.89 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 1.32 0.68 0.92 0.00 0.00 *141 N 8.27 4.42 0.00 2.80 2.81 0.00 0.00 6.76 7.98 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 0.00 142 I 7.98 3.77 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 1.70 1.07 0.92 0.00 0.00 143 T 7.95 4.03 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 1.22 0.00 0.00 144 E 8.62 3.94 0.00 2.27 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 2.30 2.41 0.00 145 V 7.86 3.72 2.29 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 1.19 0.00 0.00 1.08 0.00 0.00 146 K 8.20 4.14 0.00 2.04 1.88 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.69 7.81 147 K 7.77 4.08 0.00 1.75 1.81 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 148 I 7.64 3.96 1.67 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.92 0.62 0.00 0.00 149 Y 7.99 4.52 0.00 3.16 2.98 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 0.00 150 K 7.26 3.87 0.00 1.84 1.86 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.59 7.81 151 L 8.05 4.85 0.00 1.68 1.58 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 152 S 8.46 4.26 0.00 3.98 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 0.00 153 S 8.97 4.17 0.00 4.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 8.26 3.87 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.98 0.00 0.00 0.00 0.00 0.00 2.29 1.96 0.00 155 E 8.81 4.13 0.00 1.98 1.79 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 2.23 1.90 0.00 156 E 8.34 4.89 0.00 1.89 1.87 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 2.19 2.25 0.00 157 S 8.25 4.33 0.00 4.03 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 0.00 158 I 8.47 3.80 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.17 0.90 0.00 0.00 159 G 8.14 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 T 7.40 3.84 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 161 L 8.70 3.94 0.00 1.73 1.69 1.02 0.49 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 0.00 162 L 8.69 3.87 0.00 1.76 1.87 0.97 1.22 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 0.00 163 D 7.98 4.34 0.00 2.86 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 0.00 164 A 7.96 3.97 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 0.00 165 I 7.44 3.35 1.76 0.00 0.00 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 0.68 0.47 0.13 0.00 0.00 166 I 8.07 3.83 2.02 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 1.84 1.02 1.00 0.00 0.00 167 C 8.41 4.35 0.00 3.10 2.98 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 0.00 168 R 7.86 4.04 0.00 2.13 2.17 0.00 3.39 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.21 0.00 *170 S 8.07 4.09 0.00 4.09 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 0.00 171 T 7.89 4.26 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 1.22 0.00 0.00 172 K 7.45 3.91 0.00 1.57 1.67 0.00 1.92 0.00 0.00 1.50 0.00 0.00 2.44 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.35 1.46 7.81 173 D 8.52 4.32 0.00 2.81 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 0.00 174 V 7.74 4.34 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 0.80 0.00 0.00 0.99 0.00 0.00 175 L 8.18 4.12 0.00 1.78 1.76 0.93 0.54 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 * Residues marked with a * may have inaccurate shift predictions.