NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5764 8.3349 116.7672 58.2964 64.9861 174.7670 2 T 4.5112 8.9154 120.9025 61.3213 72.7872 172.6111 3 S 4.9617 8.3645 119.1122 57.2761 63.4783 172.2194 4 P 4.5931 0.0000 0.0000 62.3036 32.8311 174.2501 5 E 4.7808 8.4273 118.0416 54.8666 32.1476 175.2897 6 I 4.4409 8.8097 127.7420 59.7026 35.7160 175.0373 7 A 4.4807 8.4825 128.7502 54.6972 18.5795 177.7604 8 S 4.6844 7.7105 106.1743 57.0708 66.2317 173.4516 9 L 4.9712 8.3437 122.9455 53.7079 44.7797 175.3563 10 S 4.7018 9.1587 119.7730 55.7969 66.4322 172.9423 11 W 4.3801 9.0123 130.2403 59.1398 30.3243 175.4689 12 G 4.1932 7.8083 113.3382 45.8007 0.0000 172.3856 13 Q 4.8251 7.7328 118.0070 55.3739 32.7794 172.3975 *15 K 4.2686 8.2149 120.8761 56.1512 33.9422 174.2227 16 V 4.7100 8.0859 126.0613 60.6418 34.2522 174.5405 17 K 4.1902 9.1648 129.1786 57.6943 31.6807 176.7613 18 G 3.9013 9.0001 113.7338 45.5464 0.0000 173.5716 19 S 4.5855 7.6910 114.5068 56.8904 63.4475 173.3216 20 N 4.6332 8.5844 124.0083 54.2995 39.0065 174.5845 21 T 4.4051 7.7998 106.7844 60.6387 71.7846 173.4172 22 T 4.0884 8.0211 114.1387 60.2493 69.6498 173.9387 23 Y 4.4752 7.8528 126.2607 57.2836 40.1404 174.0979 24 K 4.4865 8.6506 119.2059 58.4016 33.0807 176.7709 25 D 5.4414 7.9180 119.4035 52.7399 44.4164 174.3158 26 C 5.0273 9.0407 115.2542 57.0309 34.0929 172.4864 27 K 5.2106 9.1564 118.5351 54.5688 35.0143 176.0529 28 V 4.6713 8.8537 123.1601 59.9489 35.2682 174.1890 29 W 5.1477 7.9241 117.3450 55.2634 31.9919 171.7298 30 P 4.5435 0.0000 0.0000 65.0931 30.9077 175.1758 31 G 4.1240 9.3245 117.6902 45.8058 0.0000 173.6440 32 G 3.8070 7.3340 112.7446 45.0905 0.0000 171.3916 33 S 3.7455 7.0092 117.5947 59.7370 65.3754 173.9881 34 R 4.4627 7.4193 117.9235 56.3509 34.1211 174.6752 35 T 3.8728 8.8465 119.4472 62.1164 68.2912 173.7311 36 W 4.9036 8.9013 135.0000 56.0145 31.3837 173.8589 37 D 4.6650 8.5862 126.3842 51.8484 41.3484 176.9213 38 W 4.3312 8.5318 127.9295 59.9171 29.5711 178.7261 39 R 4.0241 8.6391 117.5817 59.3085 29.6489 178.6334 40 E 4.1038 8.1175 116.5083 58.8279 29.2449 177.6504 41 T 4.4709 8.2436 106.6683 60.0594 69.8014 174.6566 42 G 4.5379 8.3046 109.4632 46.7725 0.0000 174.1029 43 T 3.8124 7.3757 115.7103 63.4122 68.9478 173.5909 44 E 5.0105 8.1180 124.1662 54.6328 33.1980 176.0138 45 H 4.3269 8.7801 114.7573 57.9867 28.8808 175.5782 46 S 4.8682 7.4800 114.4916 56.5022 66.6456 172.7897 47 P 4.2239 0.0000 0.0000 64.1625 31.6940 175.7415 48 G 3.8316 8.0872 102.0620 42.4632 0.0000 172.4342 49 V 3.3976 7.0807 119.1432 63.7894 31.7917 176.6568 50 Q 4.5638 9.0615 126.4776 53.5811 30.7758 174.9169 51 P 3.7234 0.0000 0.0000 65.9594 30.8985 178.8708 52 A 4.0053 7.7146 117.9847 54.9764 18.3740 178.9265 53 D 4.5164 8.6619 117.8453 56.5330 41.2222 178.1626 54 V 4.1374 7.2940 109.8189 60.6256 32.5229 177.3501 55 K 3.9823 7.9765 121.4150 59.6215 31.9239 178.2180 56 E 4.1032 8.0765 117.4629 58.7406 29.6487 178.4947 57 V 3.5807 7.3108 117.8369 65.5662 31.8070 177.7196 58 V 3.5992 7.6862 118.2159 65.9177 31.0793 177.2015 59 E 4.3051 8.2248 113.3086 57.2006 29.3000 177.2354 60 K 4.0695 7.7463 119.9567 56.5160 33.4711 177.1131 61 G 4.1372 7.9145 107.0122 46.1591 0.0000 172.8092 62 V 4.6820 7.3772 115.3825 60.0351 35.9853 175.6514 63 Q 4.3981 9.4344 120.8980 57.6971 30.3859 176.1298 64 T 5.1340 7.8118 113.9986 61.4564 72.8204 172.9025 65 L 5.1134 9.1846 126.6354 53.3248 45.3635 175.0012 66 V 4.7113 8.9686 126.6731 61.2910 33.9561 174.1688 67 I 4.2480 8.8730 129.2715 59.5714 39.3197 175.1648 68 G 4.2116 8.9218 117.2948 44.4764 0.0000 173.1368 69 R 4.8891 8.7961 124.4418 55.9620 31.2051 177.1370 70 G 4.4106 7.8253 110.8609 45.8074 0.0000 176.8260 *72 S 4.3792 8.7066 119.0534 56.5630 64.4405 173.2970 73 E 4.6708 8.6216 118.5298 56.9239 26.6473 176.1890 74 A 3.8659 7.7159 122.6187 54.6339 18.5593 178.3243 75 L 4.4525 7.4098 118.1103 54.1070 42.4776 177.0994 76 K 4.4194 8.5836 126.6618 56.2310 34.1369 176.3208 77 V 4.3249 7.9344 120.1294 60.8251 34.0157 173.1077 78 P 4.3426 0.0000 0.0000 62.6244 31.9806 177.8575 79 S 4.1431 8.7055 118.0671 61.2978 62.8446 176.6095 80 S 4.2434 8.0026 116.9551 60.8688 62.7807 176.2639 81 T 4.0062 7.9532 120.3116 66.2607 68.2615 177.1108 82 V 3.6041 7.6340 119.7020 66.1029 31.7501 177.7969 83 E 3.9638 8.3338 118.3816 59.4109 28.9976 178.5962 84 Y 4.1009 7.5282 118.9507 60.7287 39.1129 178.1995 85 L 3.5512 7.4460 119.6754 57.7185 41.8382 179.6273 86 K 4.3041 8.1943 120.0218 58.5910 31.7438 178.7082 87 K 4.2444 8.4653 118.1340 58.0135 30.9718 176.7356 88 H 4.6957 8.3218 115.8882 55.9565 29.0805 175.2038 89 G 3.9383 8.0106 106.0541 46.2606 0.0000 173.7706 90 I 4.4686 6.8816 120.7330 59.6549 39.2466 174.5556 91 D 4.5297 9.3192 127.3153 53.9130 42.3175 174.8605 92 V 4.7921 8.3848 125.6760 61.1547 33.9000 174.6604 93 R 4.5676 8.8647 126.5762 54.4719 32.9471 174.7176 94 V 4.5866 8.4652 124.6550 61.2407 33.1319 174.5036 95 L 4.9093 8.6436 126.8459 52.8610 47.0738 175.7184 96 Q 4.5204 8.6331 120.8032 56.2793 29.8680 176.5139 97 T 4.0093 8.8126 122.2072 67.2875 68.2827 176.4014 98 E 3.9737 8.4021 119.4914 59.9567 29.2124 179.3449 99 Q 4.2738 8.5418 116.8012 57.8812 28.9918 178.2377 100 A 4.1441 8.4602 122.8496 55.1766 18.4401 179.8421 101 V 3.7016 8.4071 117.1856 65.7828 31.1772 178.2150 102 K 4.0143 7.7311 119.9777 59.2560 31.8904 178.7449 103 E 4.0447 8.1062 118.7849 59.4093 29.4611 177.9684 104 Y 4.1612 8.1661 119.4951 61.3117 38.7671 178.1646 105 N 4.1134 8.7103 116.7796 56.0143 38.7065 177.2360 106 A 3.9548 7.6809 121.7729 55.3319 18.5631 179.6117 107 L 3.8861 8.0616 117.6147 58.0386 41.5313 180.0394 108 V 3.4365 7.7744 118.1439 65.7031 31.0938 178.0103 109 A 3.9595 8.0142 121.8626 54.7860 18.3328 177.7738 110 Q 4.3607 7.9289 111.9012 55.6845 29.0745 175.9873 111 G 3.9343 7.3562 104.7192 47.2651 0.0000 174.0117 112 V 4.1752 7.3229 116.5360 61.2655 33.8447 176.9820 113 R 4.4097 9.0963 125.8688 55.7365 29.5277 175.5924 114 V 4.9874 8.2343 122.7111 59.9094 34.6634 174.9928 115 G 4.4243 9.4671 108.5482 45.2122 0.0000 171.1525 116 G 4.1576 7.8398 107.5774 46.4676 0.0000 172.0385 117 V 4.7475 6.9679 112.0881 59.2645 35.6122 175.3215 118 F 5.3036 9.6073 122.7665 56.0569 43.1569 173.6157 119 H 5.7189 9.6385 123.4422 53.8198 30.7109 174.9572 120 S 4.0647 9.0997 122.0852 60.3192 63.9208 173.8129 121 T 3.3196 6.6369 111.5760 60.0199 70.4363 173.8414 122 C 4.5003 8.1274 118.1736 60.5457 29.0426 173.6454 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 S 8.33 4.58 0.00 3.83 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 2 T 8.92 4.51 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 1.22 0.00 0.00 3 S 8.36 4.96 0.00 3.91 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 4 P 0.00 4.59 0.00 2.30 2.05 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 5 E 8.43 4.78 0.00 2.05 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 2.37 2.45 0.00 6 I 8.81 4.44 1.83 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.59 0.76 0.00 0.00 7 A 8.48 4.48 1.28 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 8 S 7.71 4.68 0.00 3.83 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 9 L 8.34 4.97 0.00 1.53 1.51 0.95 0.85 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 10 S 9.16 4.70 0.00 4.05 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 11 W 9.01 4.38 0.00 3.44 3.08 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 12 G 7.81 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 0.00 0.00 0.00 13 Q 7.73 4.83 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.52 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 *15 K 8.21 4.27 0.00 1.89 1.81 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.41 7.81 16 V 8.09 4.71 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 0.94 0.00 0.00 0.96 0.00 0.00 17 K 9.16 4.19 0.00 1.64 1.75 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.40 7.81 18 G 9.00 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 19 S 7.69 4.59 0.00 3.91 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 20 N 8.58 4.63 0.00 2.68 2.76 0.00 0.00 6.81 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 21 T 7.80 4.41 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 1.10 0.00 0.00 22 T 8.02 4.09 4.18 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 1.12 0.00 0.00 23 Y 7.85 4.48 0.00 3.09 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 24 K 8.65 4.49 0.00 1.73 1.73 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.70 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.18 1.45 7.81 25 D 7.92 5.44 0.00 2.72 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 26 C 9.04 5.03 0.00 2.42 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 27 K 9.16 5.21 0.00 1.81 1.90 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.01 1.37 7.81 28 V 8.85 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 0.69 0.00 0.00 0.94 0.00 0.00 29 W 7.92 5.15 0.00 3.44 3.38 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 30 P 0.00 4.54 0.00 2.21 2.31 0.00 3.91 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 31 G 9.32 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 32 G 7.33 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 33 S 7.01 3.75 0.00 3.60 3.52 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 34 R 7.42 4.46 0.00 2.18 1.96 0.00 3.40 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.85 0.00 35 T 8.85 3.87 4.56 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 1.35 0.00 0.00 36 W 8.90 4.90 0.00 3.19 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 37 D 8.59 4.66 0.00 2.77 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 38 W 8.53 4.33 0.00 3.21 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 39 R 8.64 4.02 0.00 2.12 2.03 0.00 3.13 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 40 E 8.12 4.10 0.00 2.11 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 0.00 2.42 2.50 0.00 41 T 8.24 4.47 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 1.26 0.00 0.00 42 G 8.30 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 43 T 7.38 3.81 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 44 E 8.12 5.01 0.00 2.27 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 2.36 2.48 0.00 45 H 8.78 4.33 0.00 3.30 3.55 0.00 5.83 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.48 4.87 0.00 3.81 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 47 P 0.00 4.22 0.00 1.97 2.08 0.00 3.58 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 48 G 8.09 3.83 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 0.00 0.00 0.00 49 V 7.08 3.40 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 0.69 0.00 0.00 0.97 0.00 0.00 50 Q 9.06 4.56 0.00 2.19 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.47 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 51 P 0.00 3.72 0.00 1.68 0.76 0.00 3.41 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 52 A 7.71 4.01 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 53 D 8.66 4.52 0.00 2.77 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 54 V 7.29 4.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 1.04 0.00 0.00 55 K 7.98 3.98 0.00 2.02 1.77 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.65 1.52 7.81 56 E 8.08 4.10 0.00 1.87 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 1.65 1.99 0.00 57 V 7.31 3.58 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.97 0.00 0.00 58 V 7.69 3.60 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 0.93 0.00 0.00 0.91 0.00 0.00 59 E 8.22 4.31 0.00 2.02 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 2.37 2.14 0.00 60 K 7.75 4.07 0.00 1.77 1.75 0.00 1.29 0.00 0.00 1.39 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.89 0.21 7.81 61 G 7.91 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 62 V 7.38 4.68 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.97 0.00 0.00 63 Q 9.43 4.40 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 64 T 7.81 5.13 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 1.29 0.00 0.00 65 L 9.18 5.11 0.00 1.59 1.41 0.85 0.65 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 66 V 8.97 4.71 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.11 0.00 0.00 67 I 8.87 4.25 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.44 0.83 0.00 0.00 68 G 8.92 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 69 R 8.80 4.89 0.00 2.26 2.19 0.00 2.76 0.00 0.00 3.44 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.64 0.00 70 G 7.83 4.41 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 0.00 *72 S 8.71 4.38 0.00 4.10 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 0.00 73 E 8.62 4.67 0.00 2.27 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 2.36 2.31 0.00 74 A 7.72 3.87 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.41 4.45 0.00 1.74 1.86 0.56 0.40 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 76 K 8.58 4.42 0.00 1.88 1.74 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.41 7.81 77 V 7.93 4.32 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 0.76 0.00 0.00 0.91 0.00 0.00 78 P 0.00 4.34 0.00 2.17 1.93 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 79 S 8.71 4.14 0.00 4.04 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 80 S 8.00 4.24 0.00 4.06 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.95 4.01 4.46 0.00 0.00 0.00 0.00 0.00 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 82 V 7.63 3.60 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.92 0.00 0.00 83 E 8.33 3.96 0.00 2.05 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 2.55 2.47 0.00 84 Y 7.53 4.10 0.00 2.90 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 85 L 7.45 3.55 0.00 1.73 1.54 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.19 4.30 0.00 1.86 1.83 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.47 7.81 87 K 8.47 4.24 0.00 1.83 1.96 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.49 7.81 88 H 8.32 4.70 0.00 3.08 3.08 0.00 5.79 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.01 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 90 I 6.88 4.47 1.91 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 1.06 1.28 0.92 0.00 0.00 91 D 9.32 4.53 0.00 2.74 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 92 V 8.38 4.79 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 0.83 0.00 0.00 0.94 0.00 0.00 93 R 8.86 4.57 0.00 1.75 1.82 0.00 3.32 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 94 V 8.47 4.59 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 0.81 0.00 0.00 0.91 0.00 0.00 95 L 8.64 4.91 0.00 1.66 1.55 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 8.63 4.52 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.84 0.00 0.00 0.00 0.00 0.00 2.77 2.39 0.00 97 T 8.81 4.01 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 1.31 0.00 0.00 98 E 8.40 3.97 0.00 2.27 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 0.00 2.48 2.46 0.00 99 Q 8.54 4.27 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.65 0.00 100 A 8.46 4.14 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.41 3.70 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 0.93 0.00 0.00 0.69 0.00 0.00 102 K 7.73 4.01 0.00 1.98 2.05 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.51 7.81 103 E 8.11 4.04 0.00 2.12 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 0.00 2.37 2.50 0.00 104 Y 8.17 4.16 0.00 3.40 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 0.00 105 N 8.71 4.11 0.00 2.90 2.85 0.00 0.00 7.02 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 0.00 106 A 7.68 3.95 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.06 3.89 0.00 1.74 1.64 0.94 1.05 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 0.00 108 V 7.77 3.44 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 0.96 0.00 0.00 0.26 0.00 0.00 109 A 8.01 3.96 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 0.00 110 Q 7.93 4.36 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.41 2.26 0.00 111 G 7.36 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.32 4.18 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 0.81 0.00 0.00 0.96 0.00 0.00 113 R 9.10 4.41 0.00 1.93 2.05 0.00 3.14 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 114 V 8.23 4.99 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 0.42 0.00 0.00 1.15 0.00 0.00 115 G 9.47 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 0.00 0.00 0.00 0.00 116 G 7.84 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 0.00 0.00 0.00 0.00 117 V 6.97 4.75 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 0.00 0.00 0.23 0.00 0.00 0.23 0.00 0.00 118 F 9.61 5.30 0.00 2.97 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 0.00 119 H 9.64 5.72 0.00 3.61 3.61 0.00 5.83 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 S 9.10 4.06 0.00 3.85 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 6.64 3.32 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 122 C 8.13 4.50 0.00 3.17 2.96 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 0.00 * Residues marked with a * may have inaccurate shift predictions.