NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0043 8.2133 108.0116 46.5358 0.0000 171.9763 2 Y 5.1078 9.4680 121.0076 56.0762 40.6850 174.1412 3 T 4.9184 9.5470 119.9460 61.5480 72.8957 172.7778 4 L 4.6450 9.3993 128.7804 54.6880 43.5597 175.3999 5 W 5.1848 9.3762 135.0000 57.7373 33.0308 177.0060 6 N 4.3734 10.1756 130.2573 54.2573 36.5941 175.3984 7 D 4.8510 9.1913 119.2260 53.2859 40.8325 175.9933 8 Q 4.6125 7.9958 116.6106 55.3502 33.8195 173.5207 9 I 4.9321 8.2830 122.2062 60.3667 38.6489 175.5036 10 V 4.8214 8.8618 118.9998 59.2983 36.9865 174.9360 11 K 4.1078 8.8402 121.6133 56.4832 32.6795 178.4921 12 D 4.2756 8.5813 124.5842 57.4719 40.8765 179.3198 13 E 3.8948 8.0566 115.2494 58.9965 29.3140 177.6695 14 E 4.1430 8.3801 117.8067 57.2505 30.0606 176.9780 15 V 2.0000 7.1087 119.7875 61.7779 31.8455 175.0373 16 K 4.2138 6.6251 127.0656 54.5202 34.3156 174.8854 17 I 4.3334 7.9965 127.2085 59.5889 38.8256 175.1629 18 D 4.6178 8.4385 124.7195 53.2870 41.9174 177.1705 19 K 4.2128 8.6251 123.6211 59.2173 32.4717 177.3737 20 E 4.7776 9.0706 119.5900 55.9387 29.9331 174.8129 21 D 4.8303 8.0662 120.2067 54.0884 41.8397 177.5514 22 R 4.3150 9.5165 126.5864 58.8424 29.8879 179.3149 23 G 3.7368 9.2045 106.3765 47.3405 0.0000 174.8010 24 Y 4.4631 8.0988 120.4799 59.1491 39.0396 176.3866 25 Q 4.0889 7.9395 116.5247 55.7765 30.2821 175.8000 26 F 4.8012 7.6977 114.8715 55.7798 40.8882 175.2046 27 G 4.0756 8.2490 107.8487 46.2341 0.0000 174.5798 28 D 4.6675 8.0378 120.9349 51.6156 39.5960 174.4877 29 G 4.3637 7.3900 108.2803 45.7994 0.0000 169.7237 30 V 5.1213 8.6229 112.8757 59.8989 36.1391 174.4535 31 Y 5.0992 8.2836 119.4264 56.4203 41.6120 173.5002 32 E 4.3646 8.2534 117.2636 54.8672 34.5642 174.7471 33 V 4.8053 8.0220 120.5288 61.2091 34.5949 174.6558 34 V 4.3263 8.9228 127.6210 60.8511 34.5511 174.1698 35 K 4.6583 8.6875 128.7000 55.7439 34.0259 175.1527 36 V 4.6784 8.7676 126.9219 61.3741 34.1707 173.6354 37 Y 4.7239 9.2637 126.7307 56.2245 39.5901 176.0833 38 N 4.8961 8.9482 124.5984 53.2303 36.7185 175.7371 39 G 4.0087 8.9316 105.0538 45.3561 0.0000 172.9107 40 E 4.6440 8.1693 120.5115 54.6954 31.1113 175.1582 41 M 4.6910 8.5778 123.7452 54.8775 32.8658 175.4174 42 F 4.8867 9.1252 126.8331 58.5482 40.8214 175.6317 43 T 3.4410 8.2629 118.8249 62.1379 67.7788 174.5055 44 V 3.7000 7.6604 122.5708 66.0703 31.6131 176.9170 45 N 4.2635 8.0439 116.6189 56.1486 38.5523 177.0457 46 E 3.8906 8.0018 119.4650 59.7183 29.6231 179.0085 47 H 4.1607 8.0625 115.9177 58.7643 28.7402 177.9978 48 I 3.7878 8.0363 121.7988 64.5127 36.9463 178.1513 49 D 4.3081 8.2707 119.9096 57.3944 40.6129 178.8874 50 R 3.9501 7.8818 118.9145 58.7748 29.9432 178.2610 51 L 3.8134 7.8884 120.4369 58.4411 42.0753 178.6322 52 Y 3.7634 8.2548 116.4299 60.8095 37.6894 178.5475 53 A 3.9959 8.0301 121.7814 55.1790 18.6713 179.7816 54 S 4.0255 8.5618 113.8148 61.7858 62.8929 176.7868 55 A 4.0196 8.1629 123.5992 55.1434 17.9857 179.2638 56 E 3.8749 8.3745 117.8465 59.4320 29.5460 179.1916 57 K 4.0625 8.1842 117.4580 58.2312 32.0098 177.6696 58 I 4.5213 6.8127 109.9994 59.8775 37.8226 175.4762 59 R 3.8286 7.8939 117.5043 57.8956 27.9318 176.1786 60 I 4.1381 7.9108 117.6891 59.9263 38.7799 175.9413 61 T 4.3215 8.0753 121.6335 61.5101 69.1817 174.5594 62 I 3.6102 7.9667 128.8792 60.2610 37.2492 175.4935 63 P 4.2525 0.0000 0.0000 65.0662 31.0212 175.1150 64 Y 4.9979 6.8685 115.7832 54.3033 41.3089 175.0910 65 T 4.2693 8.5374 110.9672 61.7184 70.7352 175.3637 66 K 4.0172 8.4253 120.9390 59.4798 32.0310 179.3440 67 D 4.3866 8.0868 118.8784 57.3974 40.8296 178.6435 68 K 3.9342 8.0107 119.6597 59.3050 32.1477 178.6262 69 F 4.0072 8.4507 121.1383 61.5528 39.4066 176.5678 70 H 4.3106 8.8395 118.2770 59.4294 29.6482 177.2525 71 Q 3.9539 8.2244 119.8117 59.0122 28.5123 178.7335 72 L 3.9192 7.9760 119.9557 57.6756 41.5418 179.6776 73 L 3.9174 7.9779 118.9392 57.9889 41.5788 179.0475 74 H 4.0436 8.3163 116.1131 59.0719 28.6607 177.5827 75 E 3.9317 8.2731 120.1180 59.3409 29.1643 179.1325 76 L 3.9559 8.0729 120.3799 58.2069 42.1252 179.2847 77 V 3.6124 7.9507 118.0978 65.9709 31.4957 177.9322 78 E 3.9378 8.2674 118.2812 59.5182 29.1619 179.5917 79 K 3.8712 8.1920 117.3803 58.8025 32.0937 178.2074 80 N 4.7463 7.8433 114.3243 52.1108 39.6586 174.4653 81 E 3.7600 7.9649 119.4322 57.0590 27.7348 175.0971 82 L 4.0753 7.9124 119.5917 54.9676 42.5567 174.5358 83 N 4.5300 8.2793 125.4392 53.6519 40.0225 173.6878 84 T 5.2042 8.0956 110.4020 60.9939 72.9132 173.3706 85 G 4.5379 7.7889 116.1739 44.0761 0.0000 171.9788 86 H 5.2749 8.4864 119.5904 54.5352 32.4259 172.2694 87 I 4.9876 9.0342 120.6280 59.8082 39.7359 174.0483 88 Y 5.2348 8.8344 127.9946 55.7465 41.5130 174.2771 89 F 5.5171 7.5974 119.9193 55.6404 41.9530 173.1258 90 Q 5.0461 9.5523 118.7898 54.8507 32.9977 173.7362 91 V 5.1100 9.0448 119.2683 61.6236 35.0282 174.2221 92 T 5.0711 8.7497 117.7216 59.6523 71.4389 175.2963 93 R 3.7887 8.4798 123.0188 57.8786 30.7655 174.8784 94 G 3.7681 7.1329 102.4858 44.2662 0.0000 171.7691 95 T 5.0377 8.0264 115.7296 62.1802 69.8656 174.6125 96 S 4.6428 8.5370 118.2070 56.5009 66.0795 173.0572 97 P 4.7442 0.0000 0.0000 61.9671 31.7860 176.1248 98 R 3.9555 8.6697 123.7573 57.2941 30.2946 175.6429 99 A 4.5816 8.4530 124.1327 51.6824 22.0466 175.5380 100 H 3.6108 9.2737 120.7595 58.5733 28.9971 176.5289 101 Q 4.1403 7.7499 115.0427 55.4653 29.0726 175.8726 102 F 4.4824 8.3113 117.6379 57.4483 39.4041 173.9780 103 P 4.7234 0.0000 0.0000 61.1311 32.8500 175.6590 104 E 4.1107 8.4885 118.3064 56.5475 29.6764 178.0575 105 N 4.2437 8.9188 121.5926 56.5096 38.9890 175.5605 106 T 4.0517 7.8016 105.8530 62.7594 69.1212 174.1621 107 V 3.9567 7.7609 123.9120 62.0246 31.9858 175.3257 108 K 4.3244 8.4378 127.1439 55.3338 32.7275 175.4002 109 P 4.5706 0.0000 0.0000 62.7241 32.5837 175.5787 110 V 4.5831 8.3618 121.6430 61.4287 33.7511 174.3750 111 I 5.1492 8.6675 128.1147 59.7207 39.9737 174.7251 112 I 5.3213 8.9474 126.8348 59.7148 41.3196 174.6907 113 G 4.8922 9.4998 113.0869 45.3112 0.0000 171.1557 114 Y 5.4553 9.2577 121.1535 56.1136 42.1288 173.3059 115 T 5.1749 8.6482 109.0434 59.9676 72.2449 173.3230 116 K 4.6095 8.4740 122.7188 54.8230 36.0372 174.6149 117 E 4.5606 8.8427 128.7451 56.1608 30.8211 175.5707 118 N 4.7844 8.9496 125.4436 52.1116 42.3081 172.3485 119 P 4.7873 0.0000 0.0000 62.2253 32.2727 176.2460 120 R 4.1488 8.2517 118.3414 55.6245 31.1370 176.9680 121 P 4.6496 0.0000 0.0000 61.7335 27.5762 176.5461 122 L 3.9369 7.8266 125.4503 58.8234 42.1716 178.4931 123 E 3.8995 8.1821 118.0800 59.5882 29.5006 178.4074 124 N 4.3170 8.1594 115.6899 56.5511 38.4626 177.2613 125 L 3.9682 7.8625 118.8066 57.2068 41.6686 178.6074 126 E 4.2484 7.7083 117.9271 58.1187 30.1854 177.5818 127 K 4.3320 8.4699 116.2722 55.0760 32.9314 177.8767 128 G 4.0478 8.0847 104.5810 45.4527 0.0000 172.3752 129 V 4.5273 7.7482 110.8453 59.3143 35.5323 175.2997 130 K 4.4340 8.3114 119.4749 55.2502 33.4566 175.8116 131 A 4.7339 7.9499 122.9640 50.9446 22.5041 175.0997 132 T 4.5152 7.7911 112.0182 60.3452 70.5049 173.0962 133 F 4.7533 8.4706 125.7247 57.0275 39.8935 175.5021 134 V 4.4580 8.2379 123.7036 60.5789 34.3456 174.4815 135 E 3.8779 8.8721 128.0280 56.2210 29.8768 175.6496 136 D 4.4968 8.7463 126.1880 54.4576 40.7001 175.0621 137 I 4.4006 8.1408 119.0991 60.4956 38.0089 176.1107 138 R 4.2595 7.9733 120.2980 55.7680 30.3923 176.1872 139 W 4.5271 8.7457 117.1913 56.6202 28.7907 175.6385 140 L 4.2952 8.2690 116.1779 54.9705 41.5973 178.0114 141 R 4.3345 5.8400 115.6963 55.2901 30.1080 176.4249 142 C 4.5301 7.5688 114.1127 61.5181 28.8923 175.2451 143 D 4.4574 7.8460 118.4324 54.6752 39.8074 176.0341 144 I 4.1290 7.5405 122.4521 59.6944 38.7285 175.7170 *445 K 4.7209 8.4397 124.3173 56.8250 32.1276 175.0869 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 G 8.21 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 2 Y 9.47 5.11 0.00 2.85 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 3 T 9.55 4.92 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 1.39 0.00 0.00 4 L 9.40 4.65 0.00 1.78 1.88 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 5 W 9.38 5.18 0.00 3.34 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 6 N 10.18 4.37 0.00 2.54 2.40 0.00 0.00 6.81 8.49 0.00 0.00 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 D 9.19 4.85 0.00 2.47 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 8 Q 8.00 4.61 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.98 6.85 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 9 I 8.28 4.93 1.88 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 1.32 0.77 1.01 0.00 0.00 10 V 8.86 4.82 2.39 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 1.01 0.00 0.00 1.20 0.00 0.00 11 K 8.84 4.11 0.00 1.66 1.52 0.00 1.62 0.00 0.00 1.48 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.80 1.26 7.81 12 D 8.58 4.28 0.00 2.59 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 13 E 8.06 3.89 0.00 1.99 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 0.00 2.17 2.28 0.00 14 E 8.38 4.14 0.00 1.97 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 0.00 2.32 2.32 0.00 15 V 7.11 2.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.56 0.00 0.00 16 K 6.63 4.21 0.00 1.57 1.65 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.35 7.81 17 I 8.00 4.33 1.66 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 1.09 0.83 0.79 0.00 0.00 18 D 8.44 4.62 0.00 2.80 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 K 8.63 4.21 0.00 2.02 1.99 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.50 7.81 20 E 9.07 4.78 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.24 0.00 21 D 8.07 4.83 0.00 2.84 2.62 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 22 R 9.52 4.32 0.00 2.03 2.23 0.00 3.27 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.91 0.00 23 G 9.20 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 24 Y 8.10 4.46 0.00 2.80 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 25 Q 7.94 4.09 0.00 1.28 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.01 2.36 0.00 26 F 7.70 4.80 0.00 3.14 2.95 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 27 G 8.25 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 0.00 0.00 0.00 28 D 8.04 4.67 0.00 2.97 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 29 G 7.39 4.36 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 0.00 30 V 8.62 5.12 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 0.84 0.00 0.00 0.88 0.00 0.00 31 Y 8.28 5.10 0.00 2.69 2.82 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 32 E 8.25 4.36 0.00 1.16 1.21 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 1.88 2.39 0.00 33 V 8.02 4.81 2.11 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 0.74 0.00 0.00 1.18 0.00 0.00 34 V 8.92 4.33 2.25 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 0.97 0.00 0.00 1.06 0.00 0.00 35 K 8.69 4.66 0.00 1.92 1.67 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.61 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.90 0.49 7.81 36 V 8.77 4.68 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 1.06 0.00 0.00 0.94 0.00 0.00 37 Y 9.26 4.72 0.00 2.89 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.95 4.90 0.00 2.91 2.87 0.00 0.00 7.04 7.59 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 39 G 8.93 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 0.00 0.00 0.00 40 E 8.17 4.64 0.00 2.24 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 0.00 2.30 2.46 0.00 41 M 8.58 4.69 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 42 F 9.13 4.89 0.00 3.22 3.26 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 0.00 43 T 8.26 3.44 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 0.34 0.00 0.00 44 V 7.66 3.70 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 0.74 0.00 0.00 0.86 0.00 0.00 45 N 8.04 4.26 0.00 2.71 2.86 0.00 0.00 7.16 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 46 E 8.00 3.89 0.00 2.06 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 2.30 2.38 0.00 47 H 8.06 4.16 0.00 3.36 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.04 3.79 1.94 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 1.46 0.77 0.75 0.00 0.00 49 D 8.27 4.31 0.00 2.78 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 50 R 7.88 3.95 0.00 1.95 2.10 0.00 3.02 0.00 0.00 3.01 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 51 L 7.89 3.81 0.00 1.77 1.83 0.79 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.25 3.76 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.56 4.03 0.00 3.97 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 55 A 8.16 4.02 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 56 E 8.37 3.87 0.00 2.20 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 57 K 8.18 4.06 0.00 1.96 1.89 0.00 1.69 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.60 7.81 58 I 6.81 4.52 1.96 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 1.55 0.64 1.07 0.00 0.00 59 R 7.89 3.83 0.00 2.17 2.15 0.00 3.24 0.00 0.00 3.41 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 60 I 7.91 4.14 1.77 0.00 0.00 0.80 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 0.39 0.80 0.00 0.00 61 T 8.08 4.32 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 62 I 7.97 3.61 1.35 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.27 0.56 0.00 0.00 63 P 0.00 4.25 0.00 2.18 2.15 0.00 3.43 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.83 0.00 64 Y 6.87 5.00 0.00 3.00 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 65 T 8.54 4.27 4.30 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 1.29 0.00 0.00 66 K 8.43 4.02 0.00 1.64 1.68 0.00 1.36 0.00 0.00 1.53 0.00 0.00 2.13 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 0.72 7.81 67 D 8.09 4.39 0.00 2.71 2.72 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 68 K 8.01 3.93 0.00 1.84 2.04 0.00 1.36 0.00 0.00 1.43 0.00 0.00 2.63 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.05 0.88 7.81 69 F 8.45 4.01 0.00 3.71 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 70 H 8.84 4.31 0.00 3.37 3.48 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.22 3.95 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 72 L 7.98 3.92 0.00 1.62 1.52 0.37 0.38 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 73 L 7.98 3.92 0.00 1.95 1.68 0.69 0.69 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 74 H 8.32 4.04 0.00 3.39 3.37 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.27 3.93 0.00 2.21 1.95 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 2.28 2.28 0.00 76 L 8.07 3.96 0.00 1.91 1.86 1.11 0.84 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 77 V 7.95 3.61 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 0.97 0.00 0.00 0.98 0.00 0.00 78 E 8.27 3.94 0.00 2.16 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 2.33 2.35 0.00 79 K 8.19 3.87 0.00 1.54 1.17 0.00 1.40 0.00 0.00 0.92 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.13 1.41 7.81 80 N 7.84 4.75 0.00 2.80 2.93 0.00 0.00 7.14 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 81 E 7.96 3.76 0.00 2.12 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 2.27 2.24 0.00 82 L 7.91 4.08 0.00 1.62 1.59 0.96 0.86 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 83 N 8.28 4.53 0.00 2.77 2.63 0.00 0.00 6.58 7.90 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 84 T 8.10 5.20 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 85 G 7.79 4.54 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 0.00 86 H 8.49 5.27 0.00 3.34 3.34 0.00 5.23 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 9.03 4.99 2.09 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 1.16 0.85 1.09 0.00 0.00 88 Y 8.83 5.23 0.00 2.90 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 0.00 0.00 0.00 0.00 89 F 7.60 5.52 0.00 3.25 3.07 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 0.00 0.00 0.00 0.00 90 Q 9.55 5.05 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 91 V 9.04 5.11 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 1.03 0.00 0.00 1.04 0.00 0.00 92 T 8.75 5.07 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 1.30 0.00 0.00 93 R 8.48 3.79 0.00 1.84 1.97 0.00 3.04 0.00 0.00 2.59 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.34 0.00 94 G 7.13 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 95 T 8.03 5.04 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 1.30 0.00 0.00 96 S 8.54 4.64 0.00 3.85 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 97 P 0.00 4.74 0.00 2.02 2.04 0.00 3.86 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 98 R 8.67 3.96 0.00 1.93 1.94 0.00 3.18 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.73 0.00 99 A 8.45 4.58 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 0.00 100 H 9.27 3.61 0.00 3.04 3.26 0.00 5.91 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 7.75 4.14 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 102 F 8.31 4.48 0.00 2.95 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 0.00 103 P 0.00 4.72 0.00 2.07 2.06 0.00 3.70 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 2.05 2.16 0.00 104 E 8.49 4.11 0.00 2.05 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 2.43 2.33 0.00 105 N 8.92 4.24 0.00 2.68 2.89 0.00 0.00 7.10 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 0.00 106 T 7.80 4.05 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 0.00 107 V 7.76 3.96 2.18 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 0.84 0.00 0.00 0.95 0.00 0.00 108 K 8.44 4.32 0.00 1.66 1.69 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.39 7.81 109 P 0.00 4.57 0.00 1.87 2.03 0.00 3.58 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 110 V 8.36 4.58 2.18 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 1.19 0.00 0.00 1.02 0.00 0.00 111 I 8.67 5.15 1.97 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 1.04 0.00 0.00 112 I 8.95 5.32 2.09 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.11 1.15 0.00 0.00 113 G 9.50 4.89 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 0.00 114 Y 9.26 5.46 0.00 3.06 3.07 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 0.00 0.00 0.00 0.00 115 T 8.65 5.17 4.27 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 1.27 0.00 0.00 116 K 8.47 4.61 0.00 1.80 1.37 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.41 7.81 117 E 8.84 4.56 0.00 2.01 1.84 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 2.29 2.57 0.00 118 N 8.95 4.78 0.00 2.86 2.64 0.00 0.00 6.58 7.27 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 0.00 119 P 0.00 4.79 0.00 2.23 2.06 0.00 3.83 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 2.00 2.00 0.00 120 R 8.25 4.15 0.00 1.88 1.97 0.00 3.39 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.76 0.00 121 P 0.00 4.65 0.00 2.28 2.24 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 122 L 7.83 3.94 0.00 1.72 1.79 0.93 0.80 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 0.00 123 E 8.18 3.90 0.00 2.03 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 2.38 2.42 0.00 124 N 8.16 4.32 0.00 2.92 2.86 0.00 0.00 7.05 6.74 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 0.00 125 L 7.86 3.97 0.00 1.78 1.74 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.71 4.25 0.00 1.93 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 2.27 2.33 0.00 127 K 8.47 4.33 0.00 1.81 1.83 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.43 7.81 128 G 8.08 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 0.00 0.00 0.00 129 V 7.75 4.53 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 0.81 0.00 0.00 0.92 0.00 0.00 130 K 8.31 4.43 0.00 1.71 1.69 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.40 7.81 131 A 7.95 4.73 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 132 T 7.79 4.52 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 133 F 8.47 4.75 0.00 3.13 2.84 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 0.00 134 V 8.24 4.46 2.14 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 0.84 0.00 0.00 0.98 0.00 0.00 135 E 8.87 3.88 0.00 1.99 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 2.31 2.31 0.00 136 D 8.75 4.50 0.00 2.71 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 0.00 137 I 8.14 4.40 1.91 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 1.45 0.85 0.99 0.00 0.00 138 R 7.97 4.26 0.00 2.07 2.16 0.00 3.30 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 139 W 8.75 4.53 0.00 3.57 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 0.00 140 L 8.27 4.30 0.00 1.50 1.59 0.90 0.80 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 0.00 141 R 5.84 4.33 0.00 0.67 1.09 0.00 2.95 0.00 0.00 3.09 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.99 0.00 142 C 7.57 4.53 0.00 2.94 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 D 7.85 4.46 0.00 2.74 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 0.00 144 I 7.54 4.13 2.24 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.13 1.05 0.00 0.00 *445 K 8.44 4.72 0.00 1.61 1.36 0.00 1.49 0.00 0.00 1.38 0.00 0.00 2.73 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 1.07 7.81 * Residues marked with a * may have inaccurate shift predictions.