NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.9843 8.1633 120.6894 55.2466 34.1912 173.7023 2 R 4.9213 9.2053 116.2235 53.7032 34.4174 169.7023 3 V 5.5629 8.6880 122.2861 58.9991 35.9559 174.1250 4 V 4.8396 8.6336 123.0831 61.5833 33.6111 174.0275 5 I 4.8521 9.3192 130.7408 60.0634 38.9909 174.9207 6 Q 5.1356 9.0603 126.5234 53.8968 32.0867 174.9940 7 R 4.5893 8.5049 124.2819 56.2898 31.5547 175.5836 8 V 5.0183 8.5328 117.7745 59.8324 35.7324 176.5279 9 K 4.2981 8.2844 122.7632 58.0904 32.9724 176.8434 10 G 4.2853 7.7857 105.0281 45.5786 0.0000 172.3689 11 A 5.0904 8.2109 119.9322 51.0134 23.3556 175.5120 12 I 4.5493 8.8615 124.5098 59.5295 39.9083 174.3813 13 L 5.0368 8.4998 130.1575 53.7776 43.7958 175.5303 14 S 5.6147 9.0248 121.0882 55.8424 67.4201 173.2222 15 V 5.0585 7.9580 113.1763 58.1738 36.3027 175.1680 16 R 4.2870 8.6444 121.3425 56.3560 30.0955 176.3803 *27 L 4.5398 8.3969 123.8295 54.4501 43.4522 176.0872 28 E 4.7469 8.8343 119.5398 54.2816 32.4715 175.2169 29 I 4.3042 8.5451 124.3664 61.8527 36.9420 175.3849 30 I 4.4477 8.5101 121.0897 61.2161 39.8925 175.7077 31 S 4.8230 7.5678 116.7292 56.8666 67.6855 172.4878 32 E 5.3553 8.2580 118.3112 55.8737 32.0798 174.8792 33 I 4.8620 8.3549 118.4037 58.5598 41.6385 175.1112 34 K 4.6563 9.2828 129.9210 55.9302 30.5329 178.0891 35 N 4.6685 8.5970 124.7751 53.5097 39.9160 174.6275 36 G 4.6689 6.9522 109.6833 46.1957 0.0000 172.8563 37 L 5.2737 8.8373 124.6663 52.8311 45.8894 174.7288 38 I 4.4896 8.4449 124.1408 59.9389 39.9300 174.0457 39 C 5.1110 8.4559 126.5165 57.8301 31.4498 173.4275 40 F 4.8334 8.7519 124.6259 56.9997 39.7032 174.6757 41 L 5.0208 9.7666 128.3982 53.3500 44.1097 175.1533 42 G 4.4044 9.6592 115.4991 44.7079 0.0000 171.9569 43 I 4.8752 8.5199 127.3112 59.7239 38.4459 175.3275 44 H 3.4066 9.0242 127.9186 55.2561 30.3084 176.4307 45 K 4.0269 7.9326 122.8483 59.3546 32.8028 177.4496 46 N 4.7947 8.3362 115.0672 53.0305 38.6760 174.4650 47 D 4.7004 7.7592 120.3660 54.4104 41.0139 176.9494 48 T 4.4778 9.1148 115.6212 60.7803 70.5977 174.6515 49 W 4.4843 8.7529 128.8991 60.0455 30.6965 178.0415 50 E 3.9780 8.3202 118.4058 59.1181 28.9659 178.6610 51 D 4.2784 7.9687 118.9151 57.5024 41.1266 178.7905 52 A 3.9296 7.5334 120.7421 54.8398 18.2615 179.7309 53 L 3.5662 7.6363 118.0946 57.8794 41.6777 178.9276 54 Y 3.8727 7.9897 119.5615 60.5597 38.5902 178.0693 55 I 3.7098 7.7452 120.6526 64.4740 37.2923 178.1186 56 I 2.8352 7.2217 120.0547 64.3651 36.9371 178.3975 57 R 3.7179 7.7322 119.0674 59.3775 29.8198 178.7218 58 K 3.9308 7.7794 118.0436 59.1714 31.9213 178.9461 59 C 4.1162 8.0858 116.5412 63.0765 28.2327 175.8694 60 L 4.2743 8.0136 118.6444 56.4396 41.5015 177.9926 61 N 4.8184 7.7766 113.9872 52.2806 40.2587 175.3775 62 L 3.9940 7.5988 120.9552 55.2882 42.1271 177.9844 63 R 4.5883 8.5284 123.0503 55.1886 28.7204 176.4330 64 L 5.0010 8.4956 119.2894 54.0018 43.1905 176.5798 65 W 4.6993 8.2125 118.9925 54.6136 31.5717 175.3011 66 N 4.8488 8.3706 118.4909 53.0311 39.1020 174.7954 67 N 4.5068 9.6627 119.3453 53.6696 40.8456 175.2444 68 D 4.4038 8.2444 122.9465 56.2707 36.5850 175.2146 69 N 4.6079 8.8192 121.4872 52.6600 38.4739 174.0802 70 K 4.6265 8.2736 117.7805 55.1991 34.5985 175.3105 71 T 4.5588 8.4128 113.2267 60.8752 71.0901 174.2858 72 W 4.0501 7.6227 120.5803 57.5781 27.0431 173.3889 73 D 4.8944 9.1493 117.7628 55.1759 43.6876 177.0676 74 K 4.9401 8.1751 116.8204 54.8125 35.0619 175.7725 75 N 5.5729 8.8369 120.9568 51.4216 40.1621 175.9053 76 V 3.4363 8.7346 117.1516 66.2225 31.1428 177.6703 77 K 3.3629 7.7675 117.2568 59.5890 31.7266 178.7256 78 D 4.0660 7.7987 117.8366 56.9946 40.8667 178.5609 79 L 3.9944 6.7834 114.4160 52.9837 42.2303 175.8997 80 N 4.4743 8.5500 115.8410 53.6819 36.4951 173.7887 81 Y 4.9338 7.9853 115.6522 57.4711 40.1791 174.8173 82 E 5.0550 8.8939 119.3412 54.9353 33.3641 175.3581 83 L 5.1321 8.7286 119.9330 52.9962 45.7470 175.8253 84 L 4.9096 8.9227 126.2785 53.5553 43.8378 174.7573 85 I 4.6412 8.3191 128.3935 60.1553 39.0250 175.4254 86 V 4.7591 8.5091 126.0872 61.0812 34.6883 174.2645 87 S 4.8037 8.7158 123.1179 58.4796 63.0897 173.7461 88 Q 4.2980 9.6243 126.0266 53.1011 30.7588 175.6941 89 F 4.3585 8.5842 121.3010 59.7304 38.0523 177.2326 90 T 3.2961 6.7175 109.8806 64.3388 68.0360 175.9407 91 L 3.9503 7.2981 120.4489 56.6638 41.6243 178.1615 92 F 5.0368 8.1844 116.3930 56.0286 39.4924 175.4721 93 G 3.9506 8.0439 108.5907 45.8359 0.0000 172.8927 94 N 4.5487 9.1134 126.3473 53.1914 39.4334 175.4000 95 T 4.5764 8.4419 116.0203 61.8073 69.6877 175.6714 96 K 4.0702 8.4552 127.4786 58.0294 31.8036 183.3154 97 K 3.9878 7.8005 117.5520 57.2843 32.6107 182.3277 98 G 4.3015 7.6615 109.2140 45.7669 0.0000 173.9689 99 N 4.7927 9.0941 122.2143 52.2512 39.7073 173.6567 100 K 4.4003 7.8075 120.2833 53.9197 33.5415 173.4555 101 P 4.6723 0.0000 0.0000 61.5535 32.6588 174.6374 102 D 4.4140 8.0534 121.9235 51.4780 41.1614 177.0882 103 F 5.3364 7.8953 123.1912 57.3851 39.8704 176.7610 104 H 4.4313 7.8175 118.7934 58.4810 28.9112 176.8676 105 L 3.8558 7.7449 118.3579 55.0335 41.4127 175.3975 106 A 4.4504 7.4861 117.9894 49.0724 21.9052 176.8222 107 K 4.1228 8.1612 121.0812 55.7781 33.0808 176.5217 108 E 3.8966 9.0477 127.5160 56.5950 29.8213 175.7680 109 P 4.4147 0.0000 0.0000 66.1623 31.5088 178.2849 110 N 4.4646 9.2589 115.0794 55.7892 38.5786 177.1091 111 E 4.2346 9.1151 119.3198 58.1769 29.6715 178.5250 112 A 4.5051 8.3310 121.2134 54.1389 19.2363 179.1446 113 L 2.6588 7.4332 119.1352 57.6607 42.1440 179.2332 114 I 3.6941 7.3386 112.2208 63.8900 37.3891 178.0054 115 F 4.1825 7.8605 122.5799 61.3179 39.2769 176.3697 116 Y 4.3187 8.9222 119.4735 61.0544 38.5086 177.9581 117 N 4.3570 8.4818 117.4087 56.2262 38.6336 177.5205 118 K 4.2139 8.2040 119.5393 59.0183 32.0739 179.6297 119 I 3.8367 8.4820 120.7835 64.6183 36.5901 178.3206 120 I 3.8073 7.9756 120.8130 64.5326 36.9596 178.3489 121 D 4.4049 8.0863 119.3197 57.5064 40.7154 178.4497 122 E 4.1232 8.4987 119.7296 59.1961 29.2104 178.7186 123 F 4.1108 8.6692 118.5128 60.6373 38.7641 177.7257 124 K 3.9139 7.7088 116.0726 58.8495 31.9014 179.2298 125 K 4.1673 7.7619 119.2011 59.5259 32.3702 178.3477 126 Q 4.3830 8.2881 115.1833 55.7944 29.0298 175.4211 127 Y 5.1490 8.2551 119.8055 57.5282 41.7909 174.7789 128 N 4.8098 8.5156 112.6731 52.1469 42.7586 174.1740 129 D 4.3807 8.6406 124.9205 56.0143 39.7253 176.8042 130 D 4.4235 8.0269 117.6240 55.4909 41.7021 176.2448 131 K 4.3774 7.6567 116.5298 56.4005 33.6806 175.6278 132 I 4.6307 7.6053 121.6006 59.7411 38.3890 175.2477 133 K 4.7331 9.1156 127.3137 54.9023 35.2937 175.3514 134 I 5.6320 7.4169 113.8235 59.3509 40.9923 173.3012 135 G 4.2755 8.3516 107.1195 44.1737 0.0000 173.3372 136 K 4.2894 9.0585 118.6129 56.8279 30.3631 178.9765 137 F 3.2406 7.3480 123.1661 59.3918 41.0269 176.8694 138 G 4.0714 7.9295 110.2418 45.5989 0.0000 172.5951 139 N 5.0341 7.8323 116.0938 50.6808 41.3375 173.9185 140 Y 4.3108 8.4365 121.2924 57.9235 39.7158 174.0706 141 M 4.7801 8.0453 125.7606 53.3510 35.5794 174.9565 142 N 4.6453 9.3202 121.2522 52.0765 41.4033 173.3557 143 I 4.8457 8.1962 127.7918 59.5512 39.3623 175.5582 144 D 4.6046 8.9203 129.0125 53.8248 41.5123 175.7267 145 V 4.5087 8.3523 123.8944 61.3366 33.9378 175.1902 146 T 4.4316 8.5038 124.9285 62.0851 69.4789 173.6121 147 N 4.9029 8.6903 125.0062 53.0815 39.4299 174.6813 148 D 4.3434 9.7333 125.3249 56.6389 41.2498 173.9596 149 G 3.6619 9.0448 117.4029 45.0207 0.0000 171.2321 150 P 4.4881 0.0000 0.0000 61.5713 32.6579 175.5739 151 V 4.4918 8.1274 118.0289 61.4555 34.3810 174.0465 152 T 5.1127 8.6835 123.8271 61.8671 71.3474 173.2862 153 I 4.6401 8.9192 127.3106 59.5215 40.5895 173.9699 154 Y 5.2797 8.6347 126.2773 55.8706 41.6731 174.4170 155 I 4.1804 8.0239 126.3444 59.2120 41.0995 173.8845 156 D 5.0777 7.9769 126.0605 52.3866 42.3647 176.5638 157 T 3.3687 8.6021 118.2527 64.8893 68.7800 175.7083 158 H 4.6051 7.7788 116.3060 56.6443 28.4614 175.7579 159 D 4.3945 8.2662 124.2610 56.7831 41.1106 177.5203 160 I 4.1080 7.1389 119.7511 58.8378 35.8285 178.4638 161 N 4.5987 8.6831 122.2752 51.6215 37.4132 171.3240 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 8.16 4.98 0.00 1.73 2.03 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.21 4.92 0.00 1.28 1.66 0.00 2.21 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 3 V 8.69 5.56 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 0.88 0.00 0.00 1.04 0.00 0.00 4 V 8.63 4.84 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 1.15 0.00 0.00 1.05 0.00 0.00 5 I 9.32 4.85 1.90 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 1.27 0.66 0.92 0.00 0.00 6 Q 9.06 5.14 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.02 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 7 R 8.50 4.59 0.00 1.67 1.78 0.00 2.21 0.00 0.00 2.51 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.77 0.00 8 V 8.53 5.02 2.34 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 0.73 0.00 0.00 0.96 0.00 0.00 9 K 8.28 4.30 0.00 1.65 1.85 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.48 1.38 7.81 10 G 7.79 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 0.00 0.00 0.00 0.00 11 A 8.21 5.09 1.19 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 0.00 0.00 12 I 8.86 4.55 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 1.30 0.98 0.95 0.00 0.00 13 L 8.50 5.04 0.00 1.73 1.51 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.02 5.61 0.00 3.85 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 15 V 7.96 5.06 2.13 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 1.00 0.00 0.00 0.96 0.00 0.00 16 R 8.64 4.29 0.00 1.81 1.95 0.00 3.19 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 *27 L 8.40 4.54 0.00 1.59 1.78 0.99 1.07 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 28 E 8.83 4.75 0.00 2.00 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 2.20 2.27 0.00 29 I 8.55 4.30 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 1.40 0.54 0.91 0.00 0.00 30 I 8.51 4.45 1.89 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 1.24 0.69 0.97 0.00 0.00 31 S 7.57 4.82 0.00 3.74 3.73 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 32 E 8.26 5.36 0.00 1.90 1.74 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 2.07 2.33 0.00 33 I 8.35 4.86 1.85 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 1.20 0.57 0.88 0.00 0.00 34 K 9.28 4.66 0.00 1.70 1.29 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.52 7.81 35 N 8.60 4.67 0.00 1.44 1.45 0.00 0.00 6.65 7.83 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 36 G 6.95 4.67 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 0.00 0.00 0.00 37 L 8.84 5.27 0.00 1.64 1.56 1.09 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.44 4.49 1.74 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 0.19 1.37 0.84 0.00 0.00 39 C 8.46 5.11 0.00 2.82 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 40 F 8.75 4.83 0.00 3.03 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 9.77 5.02 0.00 1.96 1.75 1.17 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.66 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 0.00 0.00 0.00 0.00 43 I 8.52 4.88 1.89 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.26 0.39 0.00 0.00 44 H 9.02 3.41 0.00 2.97 3.40 0.00 5.58 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.93 4.03 0.00 1.90 1.99 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.24 1.45 7.81 46 N 8.34 4.79 0.00 2.70 2.88 0.00 0.00 6.95 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 47 D 7.76 4.70 0.00 2.80 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 48 T 9.11 4.48 4.37 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 1.29 0.00 0.00 49 W 8.75 4.48 0.00 3.33 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 50 E 8.32 3.98 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.41 0.00 51 D 7.97 4.28 0.00 2.90 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 52 A 7.53 3.93 1.10 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 0.00 0.00 53 L 7.64 3.57 0.00 1.77 1.60 0.53 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.99 3.87 0.00 3.20 3.01 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 55 I 7.75 3.71 1.81 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 1.73 0.76 0.98 0.00 0.00 56 I 7.22 2.84 1.39 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.05 0.13 0.00 0.00 57 R 7.73 3.72 0.00 1.88 1.76 0.00 2.96 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 58 K 7.78 3.93 0.00 1.75 1.76 0.00 1.63 0.00 0.00 1.47 0.00 0.00 2.57 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.87 1.33 7.81 59 C 8.09 4.12 0.00 3.38 3.30 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 60 L 8.01 4.27 0.00 1.68 1.64 1.09 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.78 4.82 0.00 2.79 2.79 0.00 0.00 7.02 7.62 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 62 L 7.60 3.99 0.00 1.75 1.66 0.90 1.05 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 63 R 8.53 4.59 0.00 2.07 2.00 0.00 3.12 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 64 L 8.50 5.00 0.00 1.01 1.39 0.85 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.21 4.70 0.00 3.43 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 66 N 8.37 4.85 0.00 2.62 2.74 0.00 0.00 6.65 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 9.66 4.51 0.00 2.68 2.83 0.00 0.00 7.62 5.63 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 68 D 8.24 4.40 0.00 2.76 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 69 N 8.82 4.61 0.00 2.81 3.12 0.00 0.00 7.06 6.68 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 70 K 8.27 4.63 0.00 1.97 1.68 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.34 7.81 71 T 8.41 4.56 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 1.12 0.00 0.00 72 W 7.62 4.05 0.00 3.50 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.15 4.89 0.00 2.63 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 74 K 8.18 4.94 0.00 1.78 1.61 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.29 7.81 75 N 8.84 5.57 0.00 3.03 3.23 0.00 0.00 6.67 6.97 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 76 V 8.73 3.44 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 1.35 0.00 0.00 1.19 0.00 0.00 77 K 7.77 3.36 0.00 1.76 1.54 0.00 1.57 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 1.08 7.81 78 D 7.80 4.07 0.00 2.69 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 79 L 6.78 3.99 0.00 0.27 0.13 -0.07 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.55 4.47 0.00 2.65 2.91 0.00 0.00 6.94 7.34 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 81 Y 7.99 4.93 0.00 2.71 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 82 E 8.89 5.06 0.00 1.92 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 2.24 2.30 0.00 83 L 8.73 5.13 0.00 1.44 1.31 1.15 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.92 4.91 0.00 1.64 1.43 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.32 4.64 1.73 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.40 0.99 0.00 0.00 86 V 8.51 4.76 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 1.06 0.00 0.00 0.84 0.00 0.00 87 S 8.72 4.80 0.00 3.30 3.15 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 88 Q 9.62 4.30 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 89 F 8.58 4.36 0.00 3.26 3.22 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 90 T 6.72 3.30 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 0.07 0.00 0.00 91 L 7.30 3.95 0.00 1.60 1.44 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.18 5.04 0.00 3.30 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 93 G 8.04 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 94 N 9.11 4.55 0.00 2.86 2.72 0.00 0.00 6.40 6.80 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 95 T 8.44 4.58 4.22 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 1.26 0.00 0.00 96 K 8.46 4.07 0.00 1.82 1.77 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.26 7.81 97 K 7.80 3.99 0.00 1.76 1.57 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.03 7.81 98 G 7.66 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 0.00 0.00 0.00 0.00 99 N 9.09 4.79 0.00 2.68 2.82 0.00 0.00 6.63 7.61 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 0.00 100 K 7.81 4.40 0.00 1.68 1.65 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.35 7.81 101 P 0.00 4.67 0.00 2.07 2.02 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 102 D 8.05 4.41 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 0.00 103 F 7.90 5.34 0.00 3.21 3.29 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 0.00 104 H 7.82 4.43 0.00 3.45 3.68 0.00 5.26 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.74 3.86 0.00 1.45 1.68 0.88 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.49 4.45 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 0.00 107 K 8.16 4.12 0.00 2.06 1.77 0.00 1.97 0.00 0.00 1.94 0.00 0.00 3.28 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.62 1.46 7.81 108 E 9.05 3.90 0.00 2.08 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 2.40 2.34 0.00 109 P 0.00 4.41 0.00 2.24 2.19 0.00 3.64 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 2.09 2.11 0.00 110 N 9.26 4.46 0.00 3.12 2.86 0.00 0.00 6.98 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 0.00 111 E 9.12 4.23 0.00 2.15 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 0.00 2.37 2.36 0.00 112 A 8.33 4.51 1.65 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 0.00 113 L 7.43 2.66 0.00 0.93 1.43 0.53 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.34 3.69 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.62 0.95 0.00 0.00 115 F 7.86 4.18 0.00 3.40 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 0.00 116 Y 8.92 4.32 0.00 3.25 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 0.00 117 N 8.48 4.36 0.00 3.18 2.90 0.00 0.00 7.03 7.10 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 0.00 118 K 8.20 4.21 0.00 2.15 1.86 0.00 1.44 0.00 0.00 1.32 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.66 7.81 119 I 8.48 3.84 2.19 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 1.52 1.32 1.05 0.00 0.00 120 I 7.98 3.81 1.92 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.84 0.87 0.00 0.00 121 D 8.09 4.40 0.00 2.90 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 0.00 122 E 8.50 4.12 0.00 2.61 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 0.00 2.36 2.39 0.00 123 F 8.67 4.11 0.00 3.39 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 0.00 124 K 7.71 3.91 0.00 2.00 1.89 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.66 7.81 125 K 7.76 4.17 0.00 1.85 2.07 0.00 1.84 0.00 0.00 2.01 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.52 7.81 126 Q 8.29 4.38 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.56 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 127 Y 8.26 5.15 0.00 2.96 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 0.00 128 N 8.52 4.81 0.00 2.47 1.66 0.00 0.00 6.64 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 0.00 129 D 8.64 4.38 0.00 2.79 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 0.00 130 D 8.03 4.42 0.00 2.57 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 0.00 131 K 7.66 4.38 0.00 1.11 1.82 0.00 1.89 0.00 0.00 1.59 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.03 1.01 7.81 132 I 7.61 4.63 1.84 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.84 0.72 0.00 0.00 133 K 9.12 4.73 0.00 1.64 1.67 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.66 7.81 134 I 7.42 5.63 2.06 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.77 0.89 0.00 0.00 135 G 8.35 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 K 9.06 4.29 0.00 1.84 1.87 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.42 7.81 137 F 7.35 3.24 0.00 2.84 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 0.00 138 G 7.93 4.07 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 0.00 139 N 7.83 5.03 0.00 2.91 2.76 0.00 0.00 6.79 6.97 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 0.00 140 Y 8.44 4.31 0.00 3.12 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 M 8.05 4.78 0.00 1.79 1.77 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 142 N 9.32 4.65 0.00 2.73 2.65 0.00 0.00 7.13 5.99 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 0.00 143 I 8.20 4.85 1.92 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 1.33 0.73 0.92 0.00 0.00 144 D 8.92 4.60 0.00 2.62 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 0.00 145 V 8.35 4.51 2.13 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 0.89 0.00 0.00 1.00 0.00 0.00 146 T 8.50 4.43 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 0.00 147 N 8.69 4.90 0.00 2.61 2.77 0.00 0.00 6.97 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 0.00 148 D 9.73 4.34 0.00 2.71 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 0.00 149 G 9.04 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 0.00 150 P 0.00 4.49 0.00 2.20 2.07 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 151 V 8.13 4.49 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 1.15 0.00 0.00 1.00 0.00 0.00 152 T 8.68 5.11 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 1.26 0.00 0.00 153 I 8.92 4.64 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.29 0.89 0.00 0.00 154 Y 8.63 5.28 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 0.00 155 I 8.02 4.18 1.74 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 1.09 0.75 0.90 0.00 0.00 156 D 7.98 5.08 0.00 2.61 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 0.00 157 T 8.60 3.37 3.91 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 1.05 0.00 0.00 158 H 7.78 4.61 0.00 3.12 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.27 4.39 0.00 2.72 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 0.00 160 I 7.14 4.11 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 1.16 0.66 0.91 0.00 0.00 161 N 8.68 4.60 0.00 2.74 2.62 0.00 0.00 6.78 7.56 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 * Residues marked with a * may have inaccurate shift predictions.