NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4415 8.3049 120.3932 55.3781 33.5155 175.2352 2 L 4.1750 8.2872 125.6372 52.6736 41.5531 175.5595 3 D 4.2722 8.7132 127.1766 57.0981 41.9574 178.9782 4 A 3.9294 7.6480 120.5505 54.3622 18.6496 178.3731 5 F 5.1664 7.8936 113.8880 57.5183 39.0606 177.6762 6 S 4.1697 7.9847 117.4048 61.9258 62.6405 176.7735 7 R 3.9631 7.9577 120.9963 58.2598 29.8967 178.9205 8 V 3.4980 7.7417 117.9181 66.2386 31.4190 178.3685 9 V 3.6045 7.7059 110.3014 63.4112 31.4260 177.5945 10 T 4.3213 7.3500 107.6336 60.4650 69.1050 174.1008 11 N 4.1320 7.8938 117.1495 54.4911 36.8415 175.5967 12 A 4.1452 8.1056 122.9247 54.7519 18.7779 177.9247 13 D 4.6302 7.5480 112.5436 53.0991 42.0166 174.9404 14 S 4.6211 8.3431 113.1325 58.1394 63.0407 174.7292 15 K 4.0799 7.9226 120.9008 55.7315 32.3231 177.1150 16 A 3.9383 8.3583 125.9972 51.9545 19.0051 176.5317 17 A 4.5728 8.0021 123.0378 50.2769 21.8663 175.4495 18 Y 4.9901 8.3556 117.9685 56.2187 40.9838 175.7695 19 V 4.2226 8.7411 123.4295 61.0099 32.9126 173.9392 20 G 4.2529 7.9876 115.6294 43.8005 0.0000 171.5832 21 G 3.6259 8.5080 107.1193 46.2708 0.0000 176.2914 22 A 3.9688 8.5691 121.2087 55.2576 18.2153 179.1960 23 D 4.2828 8.0261 117.0659 57.3143 40.9251 178.5849 24 L 3.9373 7.8534 121.0189 57.9352 42.2304 178.5018 25 Q 3.9581 8.3010 119.5496 59.3764 28.9596 178.5562 26 A 4.0614 8.1145 121.5419 54.9582 18.4229 179.1754 27 L 3.9416 8.0406 119.0464 58.5052 41.9434 179.5020 28 K 4.1171 8.0940 116.6635 58.6527 32.0274 178.6637 29 K 4.3192 7.4785 116.3805 57.4038 32.4485 178.5226 30 F 4.3728 8.0637 121.2706 60.1730 39.6698 175.4993 31 I 4.0293 7.2346 110.3921 59.7336 38.7899 175.0999 32 S 4.5257 8.2361 115.7198 57.5092 64.8502 172.9964 33 E 3.7954 8.7619 117.0454 56.9754 27.2288 177.5766 34 G 3.6643 8.2135 105.8845 48.1998 0.0000 174.6867 35 N 4.3638 8.0944 119.0467 55.8721 38.6115 177.5762 36 K 3.9741 8.0414 119.2836 59.3147 32.1178 179.2146 37 R 3.8984 8.5280 119.4143 59.5247 30.0278 178.6636 38 L 4.0254 8.0910 118.7616 57.8025 41.6041 179.1246 39 D 4.3985 8.3712 119.3006 57.3124 40.6361 179.0741 40 S 4.1468 8.3380 115.0197 61.4615 62.9606 176.5646 41 V 3.5637 7.9053 122.3274 65.6130 31.2641 177.3421 42 N 4.2525 8.2992 116.9082 56.8641 38.5724 176.9801 43 S 4.0583 7.9781 114.1799 61.0347 63.3188 176.3813 44 I 3.8203 7.4988 123.4630 64.4389 37.2286 178.7496 45 V 3.6794 8.0288 113.3858 64.3617 31.1588 178.6538 46 S 4.3269 8.0184 113.5392 60.1273 62.7788 174.6403 47 N 4.8133 7.4993 118.7138 52.8310 39.0857 176.5327 48 A 3.9967 8.0003 123.2481 55.4829 18.3241 180.6930 49 S 4.0710 8.0358 113.1433 61.9933 62.8692 176.4779 50 C 4.2249 7.9176 122.0883 61.8208 31.4356 175.3233 51 I 3.7721 8.0011 121.5918 64.5241 36.7006 178.6308 52 V 3.6569 8.0386 119.2287 66.0066 31.4773 178.2184 53 S 4.1203 8.2945 114.2361 61.5506 62.7876 175.9825 54 D 4.4093 8.5912 121.8859 56.8106 40.8604 178.0918 55 A 3.9624 8.1707 121.4542 55.1269 18.4346 179.8672 56 V 3.5426 8.0523 117.2035 66.1613 31.6171 178.4966 57 S 4.2956 8.5454 114.4905 61.1589 62.8291 176.7555 58 G 3.5484 8.3373 109.7727 47.6464 0.0000 175.1803 59 M 4.0003 8.0436 120.0152 58.7697 32.5985 178.2140 60 I 3.9181 7.9025 119.8692 64.4393 37.1135 178.2435 61 C 4.2280 8.2970 114.6695 61.2508 29.4829 175.4847 62 E 4.2988 8.1235 120.3153 57.7133 30.4276 176.7406 63 N 4.9449 7.8487 116.7835 50.8596 39.5317 172.5534 64 P 4.4593 0.0000 0.0000 64.5738 32.2647 178.8402 65 S 4.2215 8.2494 112.5910 60.6941 62.6631 176.2688 66 L 4.0317 8.0704 121.8619 56.9724 41.4309 178.4015 67 I 4.5855 7.6339 109.8102 60.2640 37.8689 175.6828 68 S 4.3388 7.7698 116.6493 57.6467 63.3749 173.4287 69 P 2.0000 0.0000 0.0000 63.9283 30.9239 177.4870 70 S 4.6268 7.2542 110.0758 57.9237 64.7584 174.8723 71 G 4.4044 7.4355 116.0962 45.2581 0.0000 175.6591 *73 C 4.3757 8.6554 123.2755 58.8358 29.5702 172.8913 74 Y 4.1747 7.8733 122.2253 58.6756 39.1507 175.8585 75 T 3.3537 7.6843 113.0924 62.0917 68.9349 172.4696 76 N 4.2861 8.4187 119.8213 56.3070 38.5024 177.6300 77 R 3.8514 7.8524 119.6761 59.6617 30.2256 178.7305 78 R 3.9509 7.7659 117.3983 59.2599 29.9734 178.6118 79 M 3.9763 8.1503 117.8336 58.7036 32.1611 178.1410 80 A 3.9604 8.3038 120.8327 55.1492 18.4574 179.4610 81 A 3.9667 8.1006 119.3228 55.2878 18.3267 179.5161 82 C 4.0504 8.3206 117.2862 62.6406 31.7402 175.6712 83 L 3.9832 8.1555 120.8757 57.7795 41.1537 179.4377 84 R 3.9134 8.3443 118.8525 59.7273 29.9645 178.2827 85 D 4.5654 8.5269 118.9700 57.3184 40.7268 178.9479 86 G 3.7162 8.4766 106.5767 47.8728 0.0000 175.3496 87 E 3.9814 8.3822 121.7184 58.9430 29.6148 178.7742 88 I 3.7471 8.1918 120.2954 64.5876 37.1556 178.3843 89 I 3.8005 8.1120 120.6160 64.4350 36.9110 178.1808 90 L 4.0231 8.2875 121.3241 58.3966 41.9085 179.3208 91 R 3.9803 8.3511 119.6743 58.8890 29.9700 178.6307 92 Y 4.0128 8.2619 116.7881 60.9409 37.8153 178.6993 93 V 3.4467 8.1466 119.7838 65.9717 31.0187 178.2761 94 S 4.1362 8.3221 114.3270 61.5282 62.7178 175.9191 95 Y 3.7280 8.0789 123.0140 60.1650 38.5292 177.3573 96 A 4.3337 8.0176 123.2025 54.5032 18.0807 179.4341 97 L 4.1228 7.7126 117.7326 58.0002 42.2433 178.5354 98 L 4.0381 7.8021 120.0344 58.0418 42.1587 178.6698 99 S 4.3904 7.7769 111.8094 58.1649 63.3902 174.4975 100 G 4.0188 8.2825 110.1970 45.5659 0.0000 172.8833 101 D 4.6492 7.5824 117.1257 51.6030 44.2760 175.2815 102 A 4.1193 8.6669 126.4198 52.7732 18.7675 179.4788 103 S 4.0636 8.5501 115.3491 61.6594 62.9266 176.8708 104 V 3.5765 7.8259 120.2135 65.7357 31.3498 177.3522 105 L 3.8488 7.9957 119.6010 58.3750 41.9193 178.7143 106 E 3.9064 8.3786 118.4943 59.5531 29.2036 179.0622 107 D 4.3675 8.1867 117.6665 56.2680 41.2665 178.1707 108 R 4.3290 8.0079 116.1134 55.9227 31.1367 176.0775 109 C 4.1436 7.2964 116.3178 60.5087 33.4579 174.6290 110 L 4.0650 7.6296 118.9825 56.5588 41.7230 176.3004 111 N 4.4977 7.7528 117.7839 55.4099 38.8912 174.9526 112 G 3.9332 8.8565 115.2755 45.4163 0.0000 174.5263 113 L 3.6122 8.0361 121.6875 57.9449 42.0190 178.5343 114 K 3.9650 7.9616 119.0984 59.7593 32.1382 178.3986 115 E 4.0450 8.0628 118.2722 59.4690 29.4026 179.2589 116 T 3.8363 7.6621 115.4024 66.9309 68.5262 176.2397 117 Y 4.5039 7.9734 118.6878 61.2808 37.3205 178.9175 118 S 4.2011 8.6784 116.8021 61.6544 62.7422 176.9168 119 S 4.1858 8.0057 115.7906 61.3681 62.8119 176.0557 120 L 4.3099 7.9945 121.0306 54.7949 41.5855 177.4720 121 G 3.7849 7.6767 105.7524 46.1558 0.0000 173.6120 122 V 3.6930 7.7281 120.5075 61.0378 31.7898 174.5228 123 P 4.3475 0.0000 0.0000 62.7804 32.3118 177.1007 124 A 3.9780 8.6203 125.1419 54.7047 18.5939 179.0760 125 N 4.2613 8.0714 115.3350 56.3641 37.4296 177.5916 126 S 4.0899 7.9303 117.2318 61.1033 62.9998 175.9027 127 N 4.2153 8.3008 119.6300 56.6749 38.5709 176.6484 128 A 4.0124 8.3005 122.4215 55.1847 18.3624 179.6405 129 R 3.8560 8.1289 117.8510 58.8309 30.1484 178.4193 130 A 3.9716 8.0868 120.6729 55.3569 18.2844 179.8183 131 V 3.6565 8.0291 116.9109 66.1966 31.5596 178.4451 132 S 4.0652 8.4123 114.2290 61.1888 62.8075 176.6623 133 I 3.7357 7.9586 123.7424 64.4822 36.8460 178.0399 134 M 3.9727 8.0573 119.5851 58.2061 31.6982 178.6303 135 K 2.4800 7.6343 119.5398 59.0049 32.3060 178.5508 136 A 3.8676 7.7335 120.7945 55.2621 18.2438 179.3431 137 C 3.8699 8.1381 114.9187 62.9282 28.2972 176.1922 138 A 4.2477 8.0820 122.2897 55.3458 17.9481 179.7977 139 V 3.5781 8.0688 116.7106 66.1242 31.3290 178.1555 140 A 3.9033 7.6819 119.5967 55.0803 18.2423 179.3450 141 F 4.4104 7.8970 115.5229 60.5890 39.0175 177.9405 142 V 3.8336 7.9106 117.0259 65.1557 32.9306 176.6850 143 N 4.5342 8.0335 118.7397 51.8684 37.1243 173.0677 144 N 4.7332 7.8740 117.2643 52.3713 39.5571 173.8461 145 T 4.3886 8.3200 115.4912 61.3541 69.1644 174.6901 146 A 4.2261 7.7236 124.9337 52.0452 19.2209 177.9897 147 S 4.3830 8.2657 113.9398 57.8088 64.1749 175.0308 148 Q 3.9041 8.8513 122.1110 59.3160 28.7537 178.7139 149 K 3.8243 8.2060 117.0938 59.2429 32.0228 177.0311 150 K 4.3500 8.1573 115.2951 56.4303 32.6132 176.3226 151 L 4.7138 7.4936 119.6535 53.0877 43.1378 176.8572 152 S 4.4266 8.6020 115.7773 59.2963 63.7183 173.7842 153 T 4.7185 7.3448 110.2219 58.6916 71.4771 171.8402 154 P 4.4739 0.0000 0.0000 62.3225 31.8626 176.7397 155 Q 4.0675 9.1792 121.9869 56.1688 29.0251 175.9201 156 G 3.7691 7.8501 107.7049 45.9181 0.0000 171.6614 157 D 4.6501 8.7030 119.2970 53.5952 41.0453 175.8239 158 C 4.7710 8.3662 124.7352 59.7201 29.0442 175.9430 159 S 4.2820 8.6408 120.3070 61.3725 62.3108 176.4577 160 G 3.5485 7.9972 108.8358 47.8074 0.0000 175.5913 161 L 3.9957 7.9445 121.3158 57.1454 41.6327 179.3696 162 A 4.0134 8.1143 120.9109 55.2142 18.3667 179.5880 163 S 4.0202 8.2612 111.7927 61.3311 62.0307 175.9955 164 E 3.6858 8.3565 122.3952 59.2360 29.4452 179.2332 165 V 3.9011 8.1552 119.6592 64.7425 31.3192 178.3950 166 G 3.9045 8.4232 106.5841 47.7337 0.0000 175.8562 167 G 3.5495 8.0297 107.9963 47.6605 0.0000 175.4818 168 Y 4.3877 7.4825 118.5886 61.0653 37.8387 178.4178 169 F 4.2351 8.3826 118.7399 60.8096 38.9105 177.4532 170 D 4.4614 8.5584 118.6496 57.3094 40.5651 179.0207 171 K 4.0227 8.1218 119.1505 59.1959 31.9928 179.5002 172 V 3.5877 7.6540 118.2251 66.4071 31.5719 178.0725 173 T 3.9029 8.2082 115.2683 66.8266 68.1101 176.4274 174 A 4.0342 8.1718 121.2998 55.0848 18.4457 179.2651 175 A 4.1246 7.9858 118.8534 54.3757 18.6107 178.8957 176 I 4.3404 7.5652 108.6519 61.2043 38.6606 176.0242 177 S 4.3240 7.9575 121.8766 58.9885 62.6846 173.7982 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 M 8.30 4.44 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 2 L 8.29 4.17 0.00 2.05 1.47 1.01 0.96 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 3 D 8.71 4.27 0.00 2.54 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 4 A 7.65 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 7.89 5.17 0.00 3.32 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 6 S 7.98 4.17 0.00 4.09 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 7 R 7.96 3.96 0.00 1.87 2.07 0.00 3.12 0.00 0.00 3.47 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 8 V 7.74 3.50 2.20 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 0.84 0.00 0.00 0.86 0.00 0.00 9 V 7.71 3.60 1.98 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 0.29 0.00 0.00 0.99 0.00 0.00 10 T 7.35 4.32 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 1.20 0.00 0.00 11 N 7.89 4.13 0.00 2.87 2.90 0.00 0.00 6.88 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 12 A 8.11 4.15 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 13 D 7.55 4.63 0.00 2.71 2.60 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 0.00 0.00 0.00 0.00 14 S 8.34 4.62 0.00 3.85 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 K 7.92 4.08 0.00 1.84 1.68 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.36 7.81 16 A 8.36 3.94 0.99 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 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.00 4.57 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.36 4.99 0.00 3.00 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 19 V 8.74 4.22 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 0.77 0.00 0.00 0.64 0.00 0.00 20 G 7.99 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 0.00 0.00 0.00 0.00 21 G 8.51 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 22 A 8.57 3.97 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 23 D 8.03 4.28 0.00 2.93 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 24 L 7.85 3.94 0.00 1.96 1.86 0.95 0.50 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 25 Q 8.30 3.96 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 26 A 8.11 4.06 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 27 L 8.04 3.94 0.00 1.81 1.88 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.09 4.12 0.00 1.81 1.89 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.64 7.81 29 K 7.48 4.32 0.00 1.89 1.89 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.60 7.81 30 F 8.06 4.37 0.00 3.04 3.25 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 31 I 7.23 4.03 1.88 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 1.57 0.76 1.03 0.00 0.00 32 S 8.24 4.53 0.00 3.98 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 33 E 8.76 3.80 0.00 2.17 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 2.31 2.28 0.00 34 G 8.21 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 35 N 8.09 4.36 0.00 2.76 2.89 0.00 0.00 7.02 7.88 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 36 K 8.04 3.97 0.00 1.93 1.88 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.51 7.81 37 R 8.53 3.90 0.00 1.93 2.14 0.00 3.11 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 38 L 8.09 4.03 0.00 1.76 1.72 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.37 4.40 0.00 2.88 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 40 S 8.34 4.15 0.00 4.09 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 0.00 41 V 7.91 3.56 2.20 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 1.06 0.00 0.00 1.02 0.00 0.00 42 N 8.30 4.25 0.00 3.04 2.93 0.00 0.00 7.03 7.19 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 43 S 7.98 4.06 0.00 4.04 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 44 I 7.50 3.82 2.02 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.76 1.02 0.00 0.00 45 V 8.03 3.68 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 0.94 0.00 0.00 0.90 0.00 0.00 46 S 8.02 4.33 0.00 3.79 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 7.50 4.81 0.00 2.26 2.55 0.00 0.00 6.71 7.20 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 48 A 8.00 4.00 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 49 S 8.04 4.07 0.00 3.88 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 C 7.92 4.22 0.00 3.03 2.99 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 0.00 0.00 0.00 0.00 51 I 8.00 3.77 2.09 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.96 1.02 0.00 0.00 52 V 8.04 3.66 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 1.20 0.00 0.00 1.02 0.00 0.00 53 S 8.29 4.12 0.00 4.10 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 54 D 8.59 4.41 0.00 2.93 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.66 4.38 0.00 3.19 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 74 Y 7.87 4.17 0.00 3.09 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 75 T 7.68 3.35 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 0.93 0.00 0.00 76 N 8.42 4.29 0.00 2.70 2.87 0.00 0.00 6.58 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 7.85 3.85 0.00 1.85 1.90 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 78 R 7.77 3.95 0.00 2.05 1.98 0.00 3.40 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 79 M 8.15 3.98 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 80 A 8.30 3.96 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 81 A 8.10 3.97 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 82 C 8.32 4.05 0.00 3.00 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 83 L 8.16 3.98 0.00 1.87 1.73 0.93 1.12 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 84 R 8.34 3.91 0.00 1.95 2.20 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 85 D 8.53 4.57 0.00 3.03 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 86 G 8.48 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 87 E 8.38 3.98 0.00 2.09 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 2.32 2.37 0.00 88 I 8.19 3.75 2.10 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 1.58 0.63 1.13 0.00 0.00 89 I 8.11 3.80 2.12 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.89 1.03 0.00 0.00 90 L 8.29 4.02 0.00 1.98 1.90 1.20 1.40 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 91 R 8.35 3.98 0.00 1.93 1.80 0.00 3.12 0.00 0.00 3.18 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 92 Y 8.26 4.01 0.00 2.99 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 93 V 8.15 3.45 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 0.44 0.00 0.00 0.54 0.00 0.00 94 S 8.32 4.14 0.00 4.07 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 95 Y 8.08 3.73 0.00 3.04 3.10 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 96 A 8.02 4.33 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.71 4.12 0.00 1.79 1.89 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0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.38 3.91 0.00 2.15 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 2.33 2.49 0.00 107 D 8.19 4.37 0.00 2.62 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 0.00 108 R 8.01 4.33 0.00 1.67 1.90 0.00 3.45 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 1.52 1.74 0.00 109 C 7.30 4.14 0.00 1.24 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 0.00 110 L 7.63 4.06 0.00 1.84 1.64 0.95 0.37 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 0.00 111 N 7.75 4.50 0.00 2.78 2.81 0.00 0.00 7.44 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 0.00 112 G 8.86 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 0.00 0.00 0.00 113 L 8.04 3.61 0.00 1.77 1.62 0.27 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 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7.73 3.69 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 0.33 0.00 0.00 0.98 0.00 0.00 123 P 0.00 4.35 0.00 2.39 2.15 0.00 3.67 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 2.01 2.00 0.00 124 A 8.62 3.98 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 0.00 125 N 8.07 4.26 0.00 2.92 3.09 0.00 0.00 6.29 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 0.00 126 S 7.93 4.09 0.00 3.97 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 0.00 127 N 8.30 4.22 0.00 2.82 2.75 0.00 0.00 7.13 7.24 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 0.00 128 A 8.30 4.01 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 0.00 129 R 8.13 3.86 0.00 1.96 2.05 0.00 3.19 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 130 A 8.09 3.97 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 0.00 131 V 8.03 3.66 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 1.35 0.00 0.00 1.10 0.00 0.00 132 S 8.41 4.07 0.00 4.04 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 0.00 133 I 7.96 3.74 1.85 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 1.49 0.67 0.88 0.00 0.00 134 M 8.06 3.97 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.62 0.00 135 K 7.63 2.48 0.00 1.17 1.67 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.26 1.31 7.81 136 A 7.73 3.87 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 0.00 137 C 8.14 3.87 0.00 3.21 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 0.00 138 A 8.08 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.07 3.58 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.97 0.00 0.00 140 A 7.68 3.90 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 0.00 141 F 7.90 4.41 0.00 3.22 3.05 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 0.00 142 V 7.91 3.83 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.10 0.00 0.00 143 N 8.03 4.53 0.00 2.70 2.85 0.00 0.00 7.23 8.29 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 0.00 144 N 7.87 4.73 0.00 3.03 2.77 0.00 0.00 7.25 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 0.00 145 T 8.32 4.39 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 146 A 7.72 4.23 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 0.00 147 S 8.27 4.38 0.00 4.02 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 Q 8.85 3.90 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 149 K 8.21 3.82 0.00 1.76 1.86 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 150 K 8.16 4.35 0.00 1.91 1.85 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.40 7.81 151 L 7.49 4.71 0.00 1.74 1.60 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 152 S 8.60 4.43 0.00 3.98 3.99 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 0.00 0.00 0.00 0.00 153 T 7.34 4.72 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 1.33 0.00 0.00 154 P 0.00 4.47 0.00 2.07 2.04 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 155 Q 9.18 4.07 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 156 G 7.85 3.77 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 0.00 0.00 0.00 157 D 8.70 4.65 0.00 2.62 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.37 4.77 0.00 3.17 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 0.00 159 S 8.64 4.28 0.00 4.04 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 4.00 0.00 1.72 1.77 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 162 A 8.11 4.01 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 0.00 163 S 8.26 4.02 0.00 3.88 4.01 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 0.00 164 E 8.36 3.69 0.00 1.98 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 1.86 2.01 0.00 165 V 8.16 3.90 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 1.00 0.00 0.00 1.16 0.00 0.00 166 G 8.42 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 0.00 0.00 0.00 167 G 8.03 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.48 4.39 0.00 3.02 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 0.00 169 F 8.38 4.24 0.00 3.36 3.10 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 0.00 170 D 8.56 4.46 0.00 2.91 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 0.00 171 K 8.12 4.02 0.00 2.10 1.91 0.00 1.86 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.68 7.81 172 V 7.65 3.59 2.38 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 1.13 0.00 0.00 0.99 0.00 0.00 173 T 8.21 3.90 4.47 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 1.25 0.00 0.00 174 A 8.17 4.03 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 0.00 175 A 7.99 4.12 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 0.00 176 I 7.57 4.34 2.07 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.80 1.05 0.00 0.00 177 S 7.96 4.32 0.00 3.97 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 * Residues marked with a * may have inaccurate shift predictions.