NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3562 8.1927 115.2920 57.4523 63.5915 172.7638 3 L 3.8502 8.3660 129.5337 56.2443 42.1438 175.7194 4 G 3.8730 9.2455 115.5212 45.1255 0.0000 173.0179 5 A 4.0212 7.5564 122.6809 52.3039 18.8662 177.7178 6 L 3.9947 8.0674 121.8315 53.4355 42.3972 175.5463 7 P 3.5157 0.0000 0.0000 62.5786 31.9309 175.3742 8 T 4.5289 8.2790 109.7492 59.1454 71.4988 174.7191 9 A 3.9603 8.5063 123.2553 55.4591 18.2955 179.7754 10 E 4.0332 7.5269 113.7680 59.0268 29.6015 177.9575 11 D 4.6712 7.7360 117.7568 55.0477 41.4362 176.5650 12 I 4.8788 7.2216 110.9483 59.1228 40.4845 174.7292 13 D 5.0303 9.2547 120.8732 54.5166 43.2746 175.7093 14 A 5.2538 7.8379 119.1754 50.4861 23.0707 175.1099 15 V 4.7709 8.7137 120.1610 61.1244 34.2386 174.9700 16 V 4.5554 9.1992 128.0995 60.9695 34.4470 173.9707 17 L 4.7806 8.6483 127.5622 52.5037 44.4363 175.9393 18 D 4.4924 8.2630 123.6754 55.1261 41.8986 173.9465 19 F 4.5696 8.9174 121.6545 59.1702 41.1888 174.8807 20 D 4.2705 8.1466 120.2707 55.7273 41.6171 177.2318 21 G 4.0032 9.3109 113.2319 45.2992 0.0000 174.4663 22 T 4.1943 7.6302 113.8607 65.1677 70.3770 175.7364 23 Q 4.3949 8.0748 116.9876 55.9662 29.0869 175.1177 24 T 4.6818 6.9922 107.8446 59.7490 72.0186 173.3921 25 D 4.7303 8.3723 118.1407 52.8946 39.2428 177.1097 26 D 4.6392 8.0575 117.3661 54.8782 38.5178 174.3647 27 R 4.3942 7.9065 118.1533 55.3440 31.2115 175.9947 28 V 4.5889 7.9374 119.5687 61.1249 34.4126 174.4392 29 L 4.5202 9.2318 131.3848 54.6810 43.1460 175.4354 30 I 5.8261 8.7098 118.8765 58.3154 40.9314 174.2563 31 D 5.1338 8.5144 123.4742 51.4996 42.2044 176.9237 32 S 4.2115 8.8060 112.1399 61.0157 62.9763 174.6612 33 D 4.5237 8.3503 118.7323 54.2312 41.0591 177.0816 34 G 3.9526 8.1955 107.7633 45.1563 0.0000 173.9948 35 R 4.0420 8.3745 119.3381 56.1563 31.0951 175.5306 36 E 5.2441 8.3826 121.6169 54.6726 32.5598 175.4170 37 F 5.0073 9.4243 121.0504 55.9858 43.3207 174.3040 38 V 4.8874 8.5477 114.2136 59.8305 35.8951 174.9211 39 S 4.6605 8.6273 118.3276 57.1911 64.0328 174.4582 40 V 4.5375 8.2034 117.7280 59.7582 34.6931 174.6188 41 H 4.8405 8.2209 119.2284 54.3057 32.6012 174.6370 42 R 4.0332 8.4321 127.0793 59.2695 29.9001 179.3232 43 G 3.6919 8.0230 105.1302 47.8950 0.0000 175.2386 44 D 4.4248 8.2959 120.9835 57.0415 40.9015 178.8287 45 G 3.6962 7.9362 105.9968 47.8033 0.0000 175.4389 46 L 4.0642 8.1039 122.9261 57.7941 42.1617 179.3308 47 G 3.5579 8.2884 105.8763 47.8167 0.0000 175.7986 48 I 3.7078 8.2592 122.5453 64.0162 37.0501 178.3589 49 A 3.9692 8.0990 121.4218 55.0967 18.1952 179.5762 50 A 3.9335 8.0677 119.2571 55.2304 18.3742 179.9144 51 L 3.9061 8.0071 117.5235 57.8240 41.7005 179.6705 52 R 3.9726 8.2813 118.9913 59.4449 29.8521 178.4337 53 K 3.9517 8.1888 118.6270 59.3743 32.2399 178.1458 54 S 4.3688 7.7465 112.3174 59.2371 63.2320 175.0016 55 G 4.0004 8.0151 111.3387 45.0044 0.0000 174.0240 56 L 4.1270 7.0740 118.5135 54.9581 42.3648 177.3491 57 T 4.2330 8.2826 119.2689 63.0735 69.6022 173.4192 *59 L 4.4407 8.0335 123.8086 55.1818 43.5713 175.1771 60 I 4.8838 8.3278 125.8895 59.6657 39.6035 174.5141 61 L 5.2112 8.6828 126.0986 53.0274 44.4703 176.1053 62 S 4.5745 9.0378 117.6147 57.2044 65.8877 174.3021 63 T 4.0239 8.9951 124.5392 66.8597 68.7681 174.1336 64 E 4.3646 8.0513 118.5931 55.7387 30.8942 175.7011 65 Q 3.9599 8.6748 123.2763 56.7370 29.7954 175.5006 66 N 4.8095 8.9064 125.1866 50.4011 40.6276 172.7288 67 P 4.2822 0.0000 0.0000 65.0752 31.3708 178.7803 68 V 3.5481 7.6352 117.9711 65.7457 31.3352 178.3268 69 V 2.5749 7.2843 118.7143 64.4376 30.9854 178.2946 70 A 3.7548 7.5915 120.6323 54.5461 18.3851 179.2365 71 A 3.8806 7.7300 119.0153 55.2713 18.4560 179.8563 72 R 3.8032 7.8606 116.9452 59.5068 30.3077 178.4500 73 A 3.9330 8.0533 120.8559 55.1529 18.3763 179.5562 74 R 3.7936 7.9922 117.0644 59.4242 29.9583 178.5345 75 K 3.8924 7.6139 117.6414 59.6005 32.3273 178.2138 76 L 4.1627 7.9689 116.3317 54.5985 41.8566 176.9443 77 K 3.9275 7.8535 117.4799 57.4323 30.1337 175.0404 78 I 4.8659 7.4398 109.9904 58.2439 40.6364 173.5125 79 P 4.7527 0.0000 0.0000 62.7775 32.9962 175.1229 80 V 4.8276 8.1428 119.1480 59.9242 34.5777 174.6446 81 L 4.8831 8.8984 123.9677 53.3383 43.7398 175.2065 82 H 5.7922 7.9126 118.3584 53.2447 31.9821 172.5577 83 G 3.6500 8.5133 104.6612 46.6634 0.0000 173.6512 84 I 4.6266 7.8322 110.2009 58.5691 40.9860 175.7861 85 D 4.3928 8.8762 122.6136 56.8995 41.5120 177.3137 86 R 4.5122 7.6485 118.6007 53.3420 33.7168 175.4833 87 K 3.8673 8.8660 124.5359 59.7753 32.0671 178.8530 88 D 4.2747 7.9555 118.5653 56.5155 39.4315 178.4509 89 L 3.9846 7.8863 119.7928 57.2869 41.6360 179.1303 90 A 4.0550 8.0859 120.9650 54.8952 18.2169 179.4600 91 L 3.9453 8.1708 119.0263 58.1830 42.2423 178.9168 92 K 3.9227 8.3493 119.9177 59.7540 32.0919 178.4239 93 Q 3.9999 8.2185 119.6543 58.9244 29.0274 177.8759 94 W 4.1667 8.5727 129.5523 60.6834 30.7388 177.7563 95 C 4.0145 8.7509 116.8702 62.9739 27.6833 175.8162 96 E 3.9671 8.2226 120.0847 59.5988 28.7722 179.4419 97 E 3.9662 7.8693 117.6742 59.2957 29.7256 178.9598 98 Q 3.9092 7.5817 116.4674 56.4589 28.6186 177.3406 99 G 3.8170 7.1750 106.8907 45.8744 0.0000 173.0208 100 I 4.2018 7.2935 119.9690 58.9762 38.4742 175.7133 101 A 4.1573 8.4594 128.3586 51.4934 18.8528 176.6599 102 P 4.3729 0.0000 0.0000 65.4288 31.9592 178.5934 103 E 4.1894 8.3835 117.3374 58.7307 29.7368 177.9805 104 R 5.1069 8.4011 117.5273 55.8592 31.9032 175.2221 105 V 4.8413 7.8738 119.7954 61.3089 33.9785 173.9663 106 L 5.2556 8.9435 130.3550 53.8732 43.9128 174.1822 107 Y 5.1975 8.8354 127.3261 55.7818 41.9396 174.0240 108 V 4.8737 7.8980 126.5168 61.2941 34.2892 174.7567 109 G 4.6839 9.3007 113.9809 45.3452 0.0000 172.1972 110 N 5.2286 9.6495 113.2737 52.2910 40.1513 173.6106 111 D 5.0947 8.0672 117.6020 52.3076 45.0424 175.8207 112 V 3.5565 8.6877 113.9575 63.9087 31.4267 178.1685 113 N 4.5398 8.0285 115.2125 54.2703 37.4162 175.6638 114 D 4.5874 8.0746 119.3486 55.1054 41.2522 178.2035 115 L 3.7667 7.4221 120.6259 57.2328 41.3632 177.4768 116 P 4.2416 0.0000 0.0000 65.6320 31.6319 178.1255 117 C 4.1030 7.8157 115.1039 62.7196 28.0765 175.7378 118 F 4.3346 8.5598 119.5300 60.8913 38.3217 177.7165 119 A 4.1102 8.1201 119.0106 54.8216 18.1717 179.0790 120 L 4.0928 7.5958 118.0163 56.6188 42.4544 177.4365 121 V 4.5654 6.6134 109.9848 59.5862 33.5079 176.1944 122 G 3.8893 8.8919 109.7088 47.4185 0.0000 174.3117 123 W 5.0740 8.0494 119.8541 54.1595 29.0828 173.1793 124 P 4.6142 0.0000 0.0000 62.4764 32.8002 176.9223 125 V 4.9526 8.7803 123.1998 61.0656 34.6552 173.8381 126 A 5.3515 8.8038 129.7230 50.7571 20.9947 177.1053 127 V 4.1065 8.4024 114.4356 60.8276 32.5712 177.4869 128 A 3.9925 8.4472 126.0284 55.3604 18.2657 179.0217 129 S 4.4310 7.9404 107.2430 58.2729 63.5091 174.2855 130 A 4.3306 7.6766 124.3041 52.5083 18.8817 178.1708 131 H 4.3859 8.5834 117.2966 55.3094 30.7459 176.5159 132 D 4.4526 8.7900 123.0680 58.3795 40.7342 180.2872 133 V 3.7182 7.7970 111.7324 64.2587 31.5057 178.7966 134 V 3.6853 7.7462 117.8184 65.8397 31.2828 178.0261 135 R 4.1536 8.1334 117.1898 59.2577 29.9965 179.0344 136 G 3.7434 8.0017 104.0787 47.8900 0.0000 175.5144 137 A 4.2166 8.1389 121.9596 53.5662 18.6406 178.0165 138 A 3.8802 7.2544 119.1725 52.3177 19.0390 177.3120 139 R 4.2524 8.5793 120.4161 58.0720 31.0101 176.4273 140 A 4.8370 7.8517 118.7157 50.2309 23.1430 175.0183 141 V 5.1516 8.3023 119.0288 61.1207 34.1841 175.6490 142 T 4.5932 9.0480 118.7523 62.1941 69.0795 174.4939 143 T 4.2693 9.1133 112.2510 62.6707 69.8149 175.3629 144 V 4.0044 7.9483 122.6290 60.7053 32.6635 173.8840 145 P 4.5181 0.0000 0.0000 61.6182 32.5617 175.6471 146 G 3.8612 8.0545 107.9432 46.3304 0.0000 174.9049 147 G 3.9374 8.8399 111.2252 45.5709 0.0000 173.1404 148 D 4.6175 7.8446 116.7702 53.6531 41.8966 176.1661 149 G 3.9404 7.9737 106.3672 46.1665 0.0000 176.0387 150 A 3.8663 8.0695 124.1753 54.7693 18.2994 180.3740 151 I 3.5646 7.8332 118.5448 64.1989 37.1122 178.5512 152 R 3.7991 7.9665 119.2926 59.1530 30.0739 177.8793 153 E 3.6731 7.8334 119.0517 59.3526 29.4923 178.9472 154 I 2.3508 6.9933 119.2746 63.8442 36.9745 178.1661 155 A 3.9579 8.1642 122.2661 55.2471 18.1236 179.8669 156 S 4.2865 8.0128 112.6584 61.2529 62.8057 176.8016 157 W 4.3792 7.5913 121.6742 59.7402 28.8473 178.1531 158 I 3.9879 7.5567 118.3471 63.3923 36.8876 176.9135 159 L 4.4570 8.3539 116.3382 53.9184 43.0014 177.6556 160 G 4.1196 8.2202 104.4874 44.4861 0.0000 172.9317 161 P 4.2656 0.0000 0.0000 65.1516 30.8711 177.7262 162 S 4.2334 8.0868 114.3139 58.8956 63.1111 174.6221 163 L 3.8161 7.8470 119.0978 54.8173 39.5581 174.2952 164 D 4.2174 7.3705 124.4212 55.4393 43.0398 176.5150 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 S 8.19 4.36 0.00 3.88 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.37 3.85 0.00 1.67 1.55 0.87 0.78 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 4 G 9.25 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 5 A 7.56 4.02 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 6 L 8.07 3.99 0.00 1.27 0.80 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 3.52 0.00 1.52 0.49 0.00 3.32 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.93 0.00 8 T 8.28 4.53 4.19 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 1.15 0.00 0.00 9 A 8.51 3.96 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 10 E 7.53 4.03 0.00 1.87 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 0.00 2.34 2.28 0.00 11 D 7.74 4.67 0.00 2.35 2.51 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 0.00 0.00 0.00 0.00 12 I 7.22 4.88 1.85 0.00 0.00 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 1.27 0.59 0.57 0.00 0.00 13 D 9.25 5.03 0.00 2.60 2.73 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 14 A 7.84 5.25 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.71 4.77 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 0.75 0.00 0.00 0.94 0.00 0.00 16 V 9.20 4.56 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 0.96 0.00 0.00 0.71 0.00 0.00 17 L 8.65 4.78 0.00 1.51 1.44 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.26 4.49 0.00 2.69 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 19 F 8.92 4.57 0.00 3.05 2.85 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 20 D 8.15 4.27 0.00 2.73 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 21 G 9.31 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.63 4.19 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 1.18 0.00 0.00 23 Q 8.07 4.39 0.00 1.61 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 24 T 6.99 4.68 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 0.55 0.00 0.00 25 D 8.37 4.73 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 26 D 8.06 4.64 0.00 2.85 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 27 R 7.91 4.39 0.00 2.02 1.85 0.00 3.10 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 28 V 7.94 4.59 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 0.90 0.00 0.00 0.97 0.00 0.00 29 L 9.23 4.52 0.00 1.83 1.67 0.89 0.21 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 30 I 8.71 5.83 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.17 0.97 0.00 0.00 31 D 8.51 5.13 0.00 2.88 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.81 4.21 0.00 4.01 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 33 D 8.35 4.52 0.00 2.82 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 34 G 8.20 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 35 R 8.37 4.04 0.00 2.23 1.62 0.00 3.06 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 36 E 8.38 5.24 0.00 1.73 1.82 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 2.22 2.45 0.00 37 F 9.42 5.01 0.00 2.91 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 38 V 8.55 4.89 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 0.89 0.00 0.00 1.16 0.00 0.00 39 S 8.63 4.66 0.00 3.84 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 40 V 8.20 4.54 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 0.79 0.00 0.00 0.98 0.00 0.00 41 H 8.22 4.84 0.00 3.24 3.23 0.00 5.68 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.43 4.03 0.00 1.76 1.92 0.00 3.32 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 43 G 8.02 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 0.00 0.00 0.00 44 D 8.30 4.42 0.00 2.91 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 45 G 7.94 3.70 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 0.00 0.00 0.00 46 L 8.10 4.06 0.00 1.92 1.84 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.29 3.56 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 0.00 0.00 0.00 48 I 8.26 3.71 1.93 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 1.43 0.73 0.91 0.00 0.00 49 A 8.10 3.97 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 50 A 8.07 3.93 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 51 L 8.01 3.91 0.00 1.85 1.72 0.87 0.58 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 52 R 8.28 3.97 0.00 1.93 2.08 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 1.64 1.66 0.00 53 K 8.19 3.95 0.00 1.82 2.06 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.50 7.81 54 S 7.75 4.37 0.00 4.09 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 55 G 8.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.07 4.13 0.00 1.86 1.66 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.28 4.23 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 1.42 0.00 0.00 *59 L 8.03 4.44 0.00 1.15 0.90 0.67 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.33 4.88 1.78 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 1.22 0.60 0.89 0.00 0.00 61 L 8.68 5.21 0.00 1.57 1.62 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 62 S 9.04 4.57 0.00 3.88 3.62 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 63 T 9.00 4.02 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 1.24 0.00 0.00 64 E 8.05 4.36 0.00 1.98 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 2.30 2.33 0.00 65 Q 8.67 3.96 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 66 N 8.91 4.81 0.00 2.70 2.56 0.00 0.00 7.16 7.71 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 67 P 0.00 4.28 0.00 2.13 2.04 0.00 3.60 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 68 V 7.64 3.55 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 1.11 0.00 0.00 0.87 0.00 0.00 69 V 7.28 2.57 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 0.46 0.00 0.00 0.09 0.00 0.00 70 A 7.59 3.75 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 71 A 7.73 3.88 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 72 R 7.86 3.80 0.00 1.97 1.90 0.00 3.20 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 1.94 1.76 0.00 73 A 8.05 3.93 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 74 R 7.99 3.79 0.00 1.88 2.06 0.00 3.10 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 75 K 7.61 3.89 0.00 1.80 2.02 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.54 7.81 76 L 7.97 4.16 0.00 1.79 1.70 0.95 0.82 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 77 K 7.85 3.93 0.00 1.94 1.90 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.36 7.81 78 I 7.44 4.87 1.89 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 1.28 0.65 0.97 0.00 0.00 79 P 0.00 4.75 0.00 2.21 2.29 0.00 3.70 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 80 V 8.14 4.83 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 0.66 0.00 0.00 0.77 0.00 0.00 81 L 8.90 4.88 0.00 1.53 1.60 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.91 5.79 0.00 3.27 3.13 0.00 5.23 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.51 3.65 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 0.00 0.00 0.00 84 I 7.83 4.63 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.78 0.91 0.00 0.00 85 D 8.88 4.39 0.00 2.66 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 86 R 7.65 4.51 0.00 1.82 1.98 0.00 3.20 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 87 K 8.87 3.87 0.00 1.77 1.85 0.00 1.70 0.00 0.00 1.88 0.00 0.00 3.17 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.54 7.81 88 D 7.96 4.27 0.00 2.83 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 89 L 7.89 3.98 0.00 1.72 1.77 0.93 0.89 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 90 A 8.09 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 91 L 8.17 3.95 0.00 1.84 1.86 1.00 0.64 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 92 K 8.35 3.92 0.00 2.00 2.00 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.50 7.81 93 Q 8.22 4.00 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 94 W 8.57 4.17 0.00 3.58 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 95 C 8.75 4.01 0.00 3.27 3.21 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 96 E 8.22 3.97 0.00 2.19 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 2.34 2.58 0.00 97 E 7.87 3.97 0.00 1.97 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 2.31 2.32 0.00 98 Q 7.58 3.91 0.00 1.50 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.26 0.00 0.00 0.00 0.00 0.00 1.30 1.16 0.00 99 G 7.17 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 0.00 100 I 7.29 4.20 1.78 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.65 0.97 0.00 0.00 101 A 8.46 4.16 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 0.00 102 P 0.00 4.37 0.00 2.24 2.19 0.00 3.65 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 103 E 8.38 4.19 0.00 2.13 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 2.41 2.41 0.00 104 R 8.40 5.11 0.00 1.93 1.97 0.00 3.16 0.00 0.00 3.14 7.19 0.00 0.00 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0.00 0.87 0.00 0.00 113 N 8.03 4.54 0.00 2.81 2.91 0.00 0.00 6.01 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 0.00 114 D 8.07 4.59 0.00 2.45 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 0.00 115 L 7.42 3.77 0.00 1.71 1.67 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.24 0.00 1.96 2.18 0.00 3.60 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 1.98 2.14 0.00 117 C 7.82 4.10 0.00 2.53 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.56 4.33 0.00 3.16 3.13 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 0.00 119 A 8.12 4.11 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 0.00 120 L 7.60 4.09 0.00 1.92 1.71 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 121 V 6.61 4.57 2.43 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 0.86 0.00 0.00 1.10 0.00 0.00 122 G 8.89 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 0.00 0.00 0.00 123 W 8.05 5.07 0.00 3.50 3.16 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 0.00 0.00 0.00 0.00 124 P 0.00 4.61 0.00 0.67 1.63 0.00 3.55 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.78 0.00 125 V 8.78 4.95 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 1.26 0.00 0.00 1.24 0.00 0.00 126 A 8.80 5.35 1.50 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 0.00 0.00 127 V 8.40 4.11 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 0.63 0.00 0.00 1.05 0.00 0.00 128 A 8.45 3.99 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 0.00 129 S 7.94 4.43 0.00 3.95 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 0.00 130 A 7.68 4.33 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 0.00 131 H 8.58 4.39 0.00 3.22 3.25 0.00 5.66 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 0.00 132 D 8.79 4.45 0.00 2.78 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 0.00 133 V 7.80 3.72 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 0.84 0.00 0.00 0.93 0.00 0.00 134 V 7.75 3.69 2.27 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 1.00 0.00 0.00 0.89 0.00 0.00 135 R 8.13 4.15 0.00 2.01 2.05 0.00 3.27 0.00 0.00 3.48 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 136 G 8.00 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 0.00 137 A 8.14 4.22 1.63 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 0.00 138 A 7.25 3.88 1.45 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 0.00 0.00 139 R 8.58 4.25 0.00 1.56 1.99 0.00 2.61 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.27 0.00 140 A 7.85 4.84 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 0.00 141 V 8.30 5.15 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 0.96 0.00 0.00 1.04 0.00 0.00 142 T 9.05 4.59 4.42 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 1.05 0.00 0.00 143 T 9.11 4.27 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 1.32 0.00 0.00 144 V 7.95 4.00 2.07 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 0.75 0.00 0.00 0.95 0.00 0.00 145 P 0.00 4.52 0.00 2.22 2.15 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.94 0.00 146 G 8.05 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 0.00 0.00 0.00 147 G 8.84 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 0.00 0.00 0.00 148 D 7.84 4.62 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 G 7.97 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 0.00 0.00 0.00 150 A 8.07 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 0.00 151 I 7.83 3.56 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.75 0.82 0.00 0.00 152 R 7.97 3.80 0.00 1.90 1.96 0.00 3.30 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 153 E 7.83 3.67 0.00 1.89 1.71 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 1.79 2.24 0.00 154 I 6.99 2.35 1.67 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.55 0.79 0.00 0.00 155 A 8.16 3.96 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 0.00 156 S 8.01 4.29 0.00 4.08 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 0.00 157 W 7.59 4.38 0.00 3.51 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 0.00 158 I 7.56 3.99 1.86 0.00 0.00 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 1.80 0.72 0.88 0.00 0.00 159 L 8.35 4.46 0.00 1.58 1.67 0.98 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.22 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 0.00 161 P 0.00 4.27 0.00 2.20 2.22 0.00 3.78 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 2.00 2.01 0.00 162 S 8.09 4.23 0.00 4.04 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 0.00 163 L 7.85 3.82 0.00 1.77 1.74 0.90 1.24 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 0.00 164 D 7.37 4.22 0.00 2.83 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.