NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 Q 4.2886 8.2027 119.1191 55.3551 29.8142 174.0775 8 E 4.4594 8.1378 115.7238 54.9373 30.1454 171.8526 9 I 4.9117 9.7657 118.9719 58.6931 42.4463 173.9234 10 V 4.5777 8.4962 123.0423 61.4464 33.1276 175.2879 11 L 4.4839 8.6046 126.5407 55.5363 42.3253 176.7853 12 Q 4.5821 7.7731 116.5788 53.3103 32.4854 171.6814 13 P 4.3550 0.0000 0.0000 64.0221 32.0364 176.0420 14 R 5.0284 7.6427 119.9351 53.7116 29.9525 174.9997 15 S 4.7696 8.0932 115.0206 57.4102 65.7743 175.0059 16 I 4.4361 8.2001 122.9434 61.3877 37.5874 175.7277 17 V 4.7217 9.2924 126.6870 61.1729 35.3421 174.2796 18 V 4.8184 8.3015 123.7950 60.1850 35.5582 173.0088 19 P 4.6120 0.0000 0.0000 64.1811 31.5853 177.2637 20 G 3.8686 8.9652 111.1746 44.9861 0.0000 172.9178 21 E 4.2407 7.9677 122.0536 55.4202 30.7899 175.4852 22 L 4.1396 8.6398 129.7234 55.4309 42.3109 176.0037 23 L 3.9102 8.7749 126.0572 56.1499 43.7768 176.3963 24 A 4.7320 7.1130 116.8818 50.8767 22.5426 175.0416 25 E 5.1748 9.9837 119.9785 54.7132 33.0107 176.6176 26 G 3.8426 7.9141 110.2527 43.4652 0.0000 172.9255 27 E 4.7220 8.2142 120.1201 54.6934 29.6945 175.9067 28 F 4.6222 9.2223 122.4650 56.7125 40.9122 176.8393 29 Q 4.6463 8.2871 120.7492 54.8299 27.7539 175.9559 30 I 4.1070 7.2358 118.5235 59.3643 38.9084 175.0239 31 P 4.4750 0.0000 0.0000 61.7844 31.9007 176.2324 32 W 4.2598 8.7490 131.7072 57.7088 30.9756 175.2437 33 S 3.9016 7.1486 118.0637 55.2703 64.9427 172.8631 34 P 3.7337 0.0000 0.0000 64.6940 31.3702 176.4815 35 Y 5.0007 7.0448 115.5687 57.4942 38.4437 174.7386 36 I 5.1728 7.1566 119.9550 59.2736 40.9992 174.4481 37 L 4.7131 9.6422 129.6190 53.1899 44.3261 174.6718 38 K 4.6028 8.7879 127.9362 55.0205 33.7391 175.7108 39 I 4.4546 8.9529 128.3160 59.9028 40.3390 177.7636 40 N 3.9894 8.8537 125.8451 54.6382 38.0155 175.5672 41 S 4.9716 9.0348 120.2573 58.6515 63.8017 173.2087 42 K 5.0435 8.0551 120.0122 55.1890 35.9414 174.5839 43 Y 5.0603 8.5143 121.0092 56.4366 40.7796 174.4173 44 Y 5.1942 9.2559 121.3206 55.8307 42.1156 175.2392 45 S 4.8340 8.8954 117.8617 58.9306 63.8964 174.4036 46 T 4.7039 8.8545 114.4488 61.7905 70.0643 173.7811 47 V 4.9101 7.7657 114.3383 59.5412 36.6706 175.0236 48 V 3.8889 8.4420 122.3396 63.6010 32.4991 175.3434 49 G 4.2848 8.6146 114.5484 45.9232 0.0000 170.7233 50 L 5.1677 8.3846 122.2423 52.9234 44.7794 176.1902 51 F 4.9903 9.4810 130.3377 58.2715 40.8552 173.4176 52 D 4.5921 8.8519 125.6908 52.4519 44.0541 173.9878 53 V 4.4772 8.1972 128.6120 61.6910 33.3412 175.7355 54 K 4.5194 8.2206 128.4083 53.6278 35.7504 173.3216 55 D 4.4330 8.6122 126.6121 55.0685 39.0844 175.6480 56 T 4.4745 8.9318 118.4928 62.3314 69.8092 173.4134 57 Q 4.4813 7.7900 122.1389 54.4346 31.2988 173.5893 58 F 5.4051 7.1229 112.6719 56.0683 41.0495 172.9877 59 E 4.8872 9.4527 116.9620 55.2580 33.5677 173.7565 60 V 4.8516 8.4446 119.7571 61.2616 33.8588 174.5675 61 I 4.2308 8.6150 129.7376 59.0537 38.4143 173.4997 62 P 4.5103 0.0000 0.0000 62.8455 31.6295 176.2677 63 L 4.5499 8.4927 121.8884 54.6469 42.2939 175.9980 64 E 4.5509 8.1553 118.6973 55.0175 32.8185 173.2402 65 G 3.8502 8.4485 111.3637 44.4966 0.0000 173.8401 66 S 4.6056 8.8899 117.9819 57.7963 63.3594 173.1707 67 F 5.3312 7.4822 113.7251 56.0261 40.4580 173.9792 68 Y 4.7667 9.2580 122.0394 56.2212 41.0459 173.6304 69 Y 4.5080 8.0426 127.6065 55.0476 39.9104 173.4010 70 P 3.6306 0.0000 0.0000 63.3127 32.0960 176.5246 71 K 4.7655 8.2352 123.3201 52.1819 34.9774 173.6834 72 I 3.9488 8.6280 126.3828 62.9666 37.5021 176.5212 73 N 4.3924 9.6169 120.4363 52.8432 36.0592 173.5706 74 D 4.7397 8.0079 121.1018 56.0651 42.4011 176.1009 75 I 4.9220 8.3609 122.2499 59.6533 37.4320 174.3850 76 V 4.6951 9.3114 126.6369 59.0775 35.1166 174.1210 77 I 4.7361 7.8884 115.8712 59.6771 38.8182 175.0591 78 G 4.2493 8.9049 116.2221 44.4350 0.0000 170.5187 79 L 5.3331 8.5186 120.7342 53.1441 45.4038 176.0965 80 V 4.2033 8.8229 127.1556 63.4247 32.2235 175.2551 81 E 4.4428 9.1874 125.6848 57.4701 31.7904 175.7631 82 D 5.1401 8.1156 117.7476 52.1188 45.2084 174.9025 83 V 4.5746 8.4966 125.2417 60.6025 32.7154 175.8674 84 E 4.4853 9.0329 125.5288 55.1172 31.8310 173.2885 85 I 3.9702 8.6655 115.0529 65.5531 35.4007 174.3825 *86 Y 4.8090 7.9453 121.4537 55.8775 38.5873 177.0325 87 G 4.0537 7.4245 109.5127 47.4454 0.0000 172.6756 *88 W 5.2491 7.5617 121.8977 54.7690 31.7118 171.9142 89 V 4.4174 8.9349 126.2803 61.8577 32.4053 175.0374 90 V 4.9165 9.4575 127.6274 61.1654 35.4284 173.3828 91 D 5.2035 9.2470 127.5971 52.3636 41.8247 176.5290 92 I 4.3892 8.2435 119.6959 60.3218 38.2640 175.6878 93 K 3.7318 8.6395 117.6951 58.2887 30.0119 175.1572 94 A 5.5615 7.0773 116.5812 48.9653 21.2665 176.3883 95 P 4.2037 0.0000 0.0000 64.7219 31.5017 176.8643 96 Y 4.8413 7.5727 114.2519 55.9611 40.3129 175.1073 97 K 4.6390 8.6050 121.9549 55.7072 33.7972 176.0769 98 A 5.0211 9.0601 125.0423 50.9349 21.8254 175.4210 99 Y 5.1361 8.6644 120.0696 55.8289 42.2623 173.9864 100 L 4.4836 8.4157 129.5699 52.6903 43.2842 174.1622 101 P 4.0763 0.0000 0.0000 61.9409 32.4027 177.6836 102 A 3.9419 8.2905 123.1262 55.3429 18.3493 180.2431 103 S 4.5500 8.1255 113.7462 61.2113 62.4157 176.2381 104 N 4.2562 7.9811 118.8220 56.1892 38.8196 176.1906 105 L 4.0587 7.2588 120.4721 58.2116 42.3498 178.6062 106 L 4.2154 8.2205 118.0310 55.2533 41.6226 178.1277 107 G 3.8881 8.6347 105.6650 45.4390 0.0000 172.8381 108 R 4.3638 7.2223 116.4932 55.6668 31.5253 174.6655 109 S 4.4483 8.4514 115.0620 57.3537 62.9467 173.7534 110 I 3.7537 8.2208 122.4836 61.6794 38.3007 175.0933 111 N 4.9698 8.3730 123.2293 51.1052 40.6595 176.1696 112 V 3.7335 8.4832 119.5325 64.5884 31.0886 177.1447 113 G 4.1396 7.7615 106.8005 44.9641 0.0000 172.1560 114 E 4.1005 8.3539 123.0721 57.2376 30.2144 175.8532 115 D 4.5639 8.9506 121.8729 54.6716 38.2189 172.2513 116 L 4.6309 7.9594 134.6192 54.5858 39.5245 179.8357 117 R 4.6740 9.0881 117.7983 58.5558 32.6908 178.3136 118 R 3.9562 8.3722 120.3841 61.1499 28.9310 182.3320 *119 Y 4.1545 7.4341 114.4750 58.6446 37.3755 179.9953 120 L 4.5466 8.0851 121.2631 54.3679 46.4998 175.6299 121 D 4.9966 9.4860 122.3960 50.4237 43.0893 172.2919 122 V 3.8972 8.0814 116.8470 66.1210 31.6053 176.2813 123 G 3.9007 8.8050 115.6196 45.0151 0.0000 173.2245 124 D 4.5625 7.6779 120.2462 54.2823 42.1783 175.3222 125 Y 5.0958 8.5160 120.5277 57.7324 39.6907 174.5141 126 V 4.8279 8.9262 123.0010 61.1960 35.3044 174.0372 127 I 4.7924 8.5277 128.2230 60.1924 38.9208 174.7105 128 A 4.8214 9.4905 129.7665 51.8887 23.3506 175.4691 129 R 5.1259 8.6080 119.0217 55.0595 33.4747 175.8486 130 I 4.6021 8.6259 125.6276 61.5729 37.3834 177.0368 131 E 3.9456 9.2773 126.2896 57.6113 30.7863 172.6966 132 N 4.9532 7.5417 115.2331 53.2407 42.5676 172.9379 133 F 4.9612 8.6242 123.7416 58.0729 42.6304 172.2786 134 D 3.9599 6.9960 123.3272 52.7747 42.1380 176.6123 135 R 3.8316 8.2752 118.9291 58.6811 29.2212 174.5034 136 S 4.6348 8.0537 112.0925 58.9212 62.6138 179.5349 137 I 4.6106 7.1732 111.2014 59.8834 40.3898 174.1618 138 D 4.8630 8.3591 121.6244 53.4673 41.7822 174.5120 139 P 4.8676 0.0000 0.0000 63.2086 32.8686 175.0000 140 V 4.9173 9.0652 122.5656 61.3564 33.8875 174.4804 141 L 5.1726 8.8123 127.6957 53.4707 43.9645 175.8716 142 S 4.8499 9.2004 118.2891 57.5406 65.5094 175.5092 143 V 4.1289 9.6620 125.4075 61.1396 32.3529 176.0101 144 K 3.9884 7.7560 120.9102 58.6251 31.3849 182.9638 145 G 3.8831 7.9896 108.3655 45.6940 0.0000 173.0251 146 K 4.1368 8.4403 122.2633 55.4987 32.4482 174.6444 147 D 4.5898 8.4179 119.7181 53.6417 37.7051 173.1608 148 L 4.3707 6.9838 122.8032 55.7464 42.6190 176.5576 149 G 3.8119 8.3642 114.2023 46.0463 0.0000 173.5966 150 R 4.3937 8.3329 116.2671 56.4014 29.8706 171.8447 151 V 4.3227 8.3847 119.9687 61.9219 32.9863 175.4154 152 S 4.6024 8.8426 121.8698 59.7836 64.2176 173.6801 153 N 5.0372 8.2384 114.2509 51.0345 39.8585 174.4004 154 G 3.9822 8.8204 104.3473 47.3303 0.0000 173.1732 155 I 4.3186 7.4831 117.9122 59.1889 37.5781 174.7986 156 V 4.6721 8.3321 125.0048 60.8821 33.4782 174.5304 157 I 4.4444 8.9664 129.6970 59.8224 39.1232 174.6262 158 D 5.2465 8.6769 127.0853 53.4089 41.8088 175.6330 159 I 4.7908 9.6627 115.5372 59.1731 42.2974 174.1724 160 M 4.3237 9.6113 122.5912 55.1598 32.1358 176.0696 161 P 4.3750 0.0000 0.0000 65.7077 31.2307 178.5150 162 V 3.5597 7.8009 115.7958 65.7963 31.5878 177.2528 163 K 4.2277 8.3656 116.7575 56.9474 32.2041 178.7229 164 V 3.5455 7.5035 119.8673 65.8674 31.3847 176.1737 165 P 4.3290 0.0000 0.0000 65.1302 30.9368 178.5370 166 R 3.9563 7.7314 117.2924 59.0997 30.0613 178.2610 167 V 3.7385 7.6532 117.0072 65.9666 31.7976 177.7011 168 I 3.9901 7.6736 119.4483 63.5489 37.0968 177.5164 169 G 4.2142 8.0898 106.4377 44.6724 0.0000 173.3510 170 K 3.8991 8.6072 122.0447 56.3569 31.6823 174.2584 171 N 4.3987 9.6617 124.7074 53.1131 35.1530 171.1188 172 K 4.2306 8.2262 115.6731 56.2376 29.8244 180.3028 173 S 4.2376 8.2156 117.0300 62.8994 62.7234 175.6679 174 M 4.1020 7.9927 120.9022 57.9483 31.8775 177.6534 175 Y 4.2075 8.5407 122.5543 61.0166 39.0340 178.5355 176 E 3.9920 8.3621 119.4107 61.3188 29.8462 181.3135 177 T 4.2884 7.9078 113.0192 63.6791 67.3459 175.1622 178 L 4.4527 7.5288 122.8185 59.0213 42.3523 183.3017 179 T 3.8988 6.9744 115.7897 66.8779 68.5452 176.6288 180 S 4.3274 7.9850 116.5203 61.3826 62.9908 177.0668 181 K 4.2473 7.8797 128.3846 60.2770 31.6076 182.3963 182 S 4.6859 7.7215 116.7980 59.3817 70.0800 177.3884 *186 I 4.2201 7.4758 125.0650 60.1737 36.6856 175.9966 187 F 5.0840 10.3435 132.6498 56.1874 41.1704 174.8199 188 V 4.1502 8.0104 126.0902 60.9850 31.7823 175.1388 189 A 3.8984 7.7669 131.3653 51.1327 19.1130 177.8020 190 N 4.5253 8.2237 116.2948 55.0026 38.5404 176.1273 191 N 3.6700 7.3390 114.9079 53.1807 38.8905 175.0152 192 G 3.9043 7.9762 104.7633 47.4217 0.0000 172.8096 193 R 4.8776 7.6143 117.2497 53.8287 34.6451 174.1252 194 I 5.3939 8.8802 117.1840 58.0385 40.0676 174.5203 195 W 4.8087 8.9665 135.0000 57.1365 32.2818 174.8045 196 A 4.4767 8.1562 129.4969 50.9610 22.6016 175.1897 *202 F 4.5133 8.6177 117.0536 57.2746 39.4723 171.0880 203 S 4.4746 8.4757 116.8290 60.4245 63.0047 172.5138 204 E 3.7285 8.7731 118.2515 57.3291 26.7969 176.9262 205 E 4.1779 8.1119 116.4525 56.5054 29.1203 179.4418 206 I 4.4175 7.8063 130.5043 59.6095 38.3385 177.3580 207 L 3.9376 7.7713 123.5974 57.9260 42.1962 176.7863 208 I 3.6433 7.9924 120.8346 65.1661 37.5125 178.0098 209 E 4.0438 7.7555 116.1733 60.4462 29.7586 180.0290 210 A 4.5129 8.0965 119.4751 54.6437 19.1887 178.7417 211 I 3.9710 7.7076 116.8327 63.3722 38.3815 177.9304 212 R 4.2670 8.1297 123.7558 61.9704 29.2230 184.8372 213 K 4.2507 7.6396 121.8493 59.5604 31.8204 182.2847 214 I 4.0267 7.6740 117.7518 64.3667 37.7578 177.5051 215 E 3.9332 8.1311 118.1126 59.5447 29.3733 177.4905 216 N 4.7090 7.7993 115.3313 54.5105 38.9026 176.5502 217 E 4.6422 8.1338 112.9073 56.1595 32.6152 181.9540 218 S 4.1909 8.3603 116.5512 62.6177 62.9448 175.6138 219 H 4.3096 8.1890 115.1309 57.6317 28.5849 175.6175 220 I 3.8376 7.3966 121.5020 61.7756 37.7527 175.9337 221 K 4.2611 8.5573 122.2984 57.4130 34.0298 174.2489 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 7 Q 8.20 4.29 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.77 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 8 E 8.14 4.46 0.00 1.65 1.67 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 1.88 1.48 0.00 9 I 9.77 4.91 1.93 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 1.18 0.73 0.96 0.00 0.00 10 V 8.50 4.58 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 0.98 0.00 0.00 0.94 0.00 0.00 11 L 8.60 4.48 0.00 1.50 1.57 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 7.77 4.58 0.00 1.78 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.15 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 13 P 0.00 4.35 0.00 2.19 2.00 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 14 R 7.64 5.03 0.00 1.76 1.85 0.00 3.00 0.00 0.00 2.25 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 15 S 8.09 4.77 0.00 3.85 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 16 I 8.20 4.44 1.86 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 1.23 0.72 0.93 0.00 0.00 17 V 9.29 4.72 2.01 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 1.06 0.00 0.00 0.80 0.00 0.00 18 V 8.30 4.82 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 0.92 0.00 0.00 0.92 0.00 0.00 19 P 0.00 4.61 0.00 2.08 2.10 0.00 3.75 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 2.04 2.21 0.00 20 G 8.97 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 21 E 7.97 4.24 0.00 2.17 1.85 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 2.18 2.20 0.00 22 L 8.64 4.14 0.00 1.70 1.46 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.77 3.91 0.00 1.03 0.51 0.88 -0.09 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 24 A 7.11 4.73 0.63 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 25 E 9.98 5.17 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 26 G 7.91 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 27 E 8.21 4.72 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 28 F 9.22 4.62 0.00 2.69 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 29 Q 8.29 4.65 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 30 I 7.24 4.11 1.75 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.36 0.62 0.00 0.00 31 P 0.00 4.47 0.00 2.08 2.04 0.00 3.61 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 2.02 2.08 0.00 32 W 8.75 4.26 0.00 3.26 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.15 3.90 0.00 3.62 3.34 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 34 P 0.00 3.73 0.00 1.64 1.78 0.00 3.02 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.37 0.00 35 Y 7.04 5.00 0.00 3.05 2.94 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 36 I 7.16 5.17 1.91 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.74 1.25 0.00 0.00 37 L 9.64 4.71 0.00 1.73 1.63 0.99 0.40 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 38 K 8.79 4.60 0.00 1.74 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7.76 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 0.00 0.00 0.00 114 E 8.35 4.10 0.00 2.23 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 2.35 2.47 0.00 115 D 8.95 4.56 0.00 2.83 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 0.00 116 L 7.96 4.63 0.00 1.66 0.80 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 117 R 9.09 4.67 0.00 1.68 1.85 0.00 3.24 0.00 0.00 3.37 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 0.00 118 R 8.37 3.96 0.00 1.82 1.91 0.00 3.24 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 *119 Y 7.43 4.15 0.00 2.32 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 0.00 0.00 0.00 0.00 120 L 8.09 4.55 0.00 1.52 1.56 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 121 D 9.49 5.00 0.00 2.52 2.52 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 0.00 122 V 8.08 3.90 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 0.97 0.00 0.00 1.01 0.00 0.00 123 G 8.80 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 0.00 124 D 7.68 4.56 0.00 2.76 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 0.00 125 Y 8.52 5.10 0.00 3.01 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 0.00 126 V 8.93 4.83 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 1.07 0.00 0.00 0.97 0.00 0.00 127 I 8.53 4.79 1.73 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.73 0.80 0.00 0.00 128 A 9.49 4.82 1.22 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 0.00 0.00 129 R 8.61 5.13 0.00 1.49 1.76 0.00 3.26 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.44 0.00 130 I 8.63 4.60 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.79 0.99 0.00 0.00 131 E 9.28 3.95 0.00 1.71 1.85 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 2.21 2.12 0.00 132 N 7.54 4.95 0.00 2.84 2.69 0.00 0.00 6.70 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 0.00 133 F 8.62 4.96 0.00 2.94 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 0.00 134 D 7.00 3.96 0.00 2.67 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 0.00 135 R 8.28 3.83 0.00 1.85 1.89 0.00 3.25 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 136 S 8.05 4.63 0.00 3.60 3.78 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 0.00 137 I 7.17 4.61 1.82 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 1.29 0.38 0.85 0.00 0.00 138 D 8.36 4.86 0.00 2.61 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 0.00 139 P 0.00 4.87 0.00 2.15 2.05 0.00 3.98 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 2.15 1.90 0.00 140 V 9.07 4.92 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 1.16 0.00 0.00 1.04 0.00 0.00 141 L 8.81 5.17 0.00 1.50 1.55 0.94 0.67 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 0.00 142 S 9.20 4.85 0.00 3.81 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 0.00 143 V 9.66 4.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 144 K 7.76 3.99 0.00 1.72 1.80 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.31 7.81 145 G 7.99 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 0.00 0.00 0.00 146 K 8.44 4.14 0.00 1.69 1.69 0.00 1.95 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.00 7.81 147 D 8.42 4.59 0.00 2.84 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 0.00 148 L 6.98 4.37 0.00 1.75 1.67 0.97 0.72 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 0.00 149 G 8.36 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 0.00 0.00 0.00 150 R 8.33 4.39 0.00 1.84 1.74 0.00 3.26 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 151 V 8.38 4.32 2.30 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 1.26 0.00 0.00 0.99 0.00 0.00 152 S 8.84 4.60 0.00 3.95 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 0.00 153 N 8.24 5.04 0.00 2.87 2.91 0.00 0.00 6.18 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 0.00 154 G 8.82 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 0.00 155 I 7.48 4.32 1.87 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 1.23 0.75 0.91 0.00 0.00 156 V 8.33 4.67 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 0.48 0.00 0.00 0.73 0.00 0.00 157 I 8.97 4.44 1.82 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 1.17 0.68 0.88 0.00 0.00 158 D 8.68 5.25 0.00 2.57 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 0.00 159 I 9.66 4.79 1.96 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 1.23 0.85 0.89 0.00 0.00 160 M 9.61 4.32 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.51 0.00 161 P 0.00 4.37 0.00 2.19 2.26 0.00 3.59 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 162 V 7.80 3.56 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 0.79 0.00 0.00 0.85 0.00 0.00 163 K 8.37 4.23 0.00 1.97 1.80 0.00 1.59 0.00 0.00 1.55 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.46 7.81 164 V 7.50 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 1.01 0.00 0.00 1.00 0.00 0.00 165 P 0.00 4.33 0.00 2.18 2.08 0.00 3.69 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 2.10 2.14 0.00 166 R 7.73 3.96 0.00 1.80 2.01 0.00 3.30 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 167 V 7.65 3.74 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 0.93 0.00 0.00 0.93 0.00 0.00 168 I 7.67 3.99 1.87 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 1.44 0.44 0.89 0.00 0.00 169 G 8.09 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 K 8.61 3.90 0.00 1.69 1.73 0.00 1.94 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.44 1.01 7.81 171 N 9.66 4.40 0.00 2.86 2.76 0.00 0.00 6.84 7.44 0.00 0.00 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 K 8.23 4.23 0.00 1.82 1.85 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 0.97 7.81 173 S 8.22 4.24 0.00 4.07 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 0.00 174 M 7.99 4.10 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.54 0.00 175 Y 8.54 4.21 0.00 3.10 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 0.00 176 E 8.36 3.99 0.00 2.03 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 2.24 2.18 0.00 177 T 7.91 4.29 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 1.27 0.00 0.00 178 L 7.53 4.45 0.00 1.71 1.62 0.92 0.55 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 0.00 179 T 6.97 3.90 4.16 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 1.15 0.00 0.00 180 S 7.99 4.33 0.00 3.80 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 0.00 181 K 7.88 4.25 0.00 1.85 1.72 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.07 7.81 182 S 7.72 4.69 0.00 3.53 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 *186 I 7.48 4.22 1.87 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 1.23 1.11 0.91 0.00 0.00 187 F 10.34 5.08 0.00 3.19 3.35 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 0.00 188 V 8.01 4.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.00 0.00 0.00 189 A 7.77 3.90 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 N 8.22 4.53 0.00 2.72 3.04 0.00 0.00 6.91 8.15 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 0.00 191 N 7.34 3.67 0.00 2.42 2.62 0.00 0.00 7.17 7.86 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 0.00 192 G 7.98 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 0.00 193 R 7.61 4.88 0.00 1.60 1.65 0.00 2.93 0.00 0.00 3.50 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 194 I 8.88 5.39 1.91 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 1.04 0.76 0.85 0.00 0.00 195 W 8.97 4.81 0.00 3.48 3.28 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 0.00 196 A 8.16 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *202 F 8.62 4.51 0.00 2.34 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 0.00 0.00 0.00 0.00 203 S 8.48 4.47 0.00 3.62 3.67 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 0.00 204 E 8.77 3.73 0.00 2.09 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 2.14 1.85 0.00 205 E 8.11 4.18 0.00 1.98 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 2.23 1.86 0.00 206 I 7.81 4.42 1.84 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 1.28 1.08 0.89 0.00 0.00 207 L 7.77 3.94 0.00 1.68 1.58 0.83 0.76 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 0.00 208 I 7.99 3.64 1.83 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 1.48 1.15 0.88 0.00 0.00 209 E 7.76 4.04 0.00 2.14 1.86 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 2.26 2.20 0.00 210 A 8.10 4.51 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 0.00 211 I 7.71 3.97 1.83 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 1.47 0.83 0.93 0.00 0.00 212 R 8.13 4.27 0.00 1.88 1.91 0.00 3.32 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 213 K 7.64 4.25 0.00 1.86 1.76 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.31 7.81 214 I 7.67 4.03 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 1.62 1.14 0.91 0.00 0.00 215 E 8.13 3.93 0.00 2.21 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 2.33 0.00 216 N 7.80 4.71 0.00 2.68 2.85 0.00 0.00 6.71 7.54 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 0.00 217 E 8.13 4.64 0.00 1.79 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 2.14 2.12 0.00 218 S 8.36 4.19 0.00 3.96 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 0.00 219 H 8.19 4.31 0.00 3.29 3.45 0.00 5.52 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 I 7.40 3.84 1.88 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 1.21 0.01 0.86 0.00 0.00 221 K 8.56 4.26 0.00 1.91 1.89 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.