NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5692 8.2227 120.3123 52.8715 41.0774 175.4413 4 I 3.4908 8.1523 117.6153 64.0078 37.4295 176.2253 5 N 4.3736 8.9121 117.5350 56.1995 39.1464 176.3873 6 E 4.5547 8.5742 121.3601 59.0144 29.6056 179.1409 7 I 3.8385 7.7903 119.8594 64.7148 37.0399 178.0239 8 R 4.2886 7.7707 114.5469 57.2983 29.9215 177.6613 9 E 4.1863 8.6278 120.2726 57.4999 29.6653 177.3919 10 Y 3.9878 7.8059 114.9111 58.5318 39.4160 175.8030 11 L 4.8314 7.9158 119.2057 52.6083 43.1226 174.8548 12 P 4.5368 0.0000 0.0000 63.6698 32.1002 176.2583 13 H 4.2817 8.1551 116.5283 56.6099 29.2370 174.3213 14 R 4.7447 8.1733 119.7939 54.5730 34.3325 173.5685 15 Y 4.3802 8.6833 119.8875 57.8537 39.2548 174.5837 16 P 4.2149 0.0000 0.0000 62.4736 31.4841 175.0964 17 F 4.4635 8.9553 112.8115 58.2087 40.4921 175.2514 18 L 4.7206 8.1871 123.0574 53.7382 42.6189 175.7628 19 L 4.6270 8.7946 129.0693 54.3048 42.2731 177.2062 20 V 4.1956 7.5985 118.0506 61.3808 33.1909 174.2306 21 D 4.5927 8.4473 127.9117 55.9688 41.7569 177.1569 22 R 4.1157 7.0185 115.0502 55.2753 33.3894 173.5672 23 V 4.3725 8.2650 125.9137 61.4889 31.8036 175.5349 24 V 3.9493 8.4568 122.6822 63.8583 32.5404 176.8075 25 E 4.5789 8.4259 121.1184 54.6277 33.3471 173.9942 26 L 4.6976 8.6298 128.5147 53.5067 43.9548 174.7346 27 D 4.7476 8.6839 127.0959 52.2968 40.2882 176.5895 28 I 3.7654 8.1590 118.1662 63.4534 38.1168 179.0809 29 E 3.9039 8.3392 119.5160 58.5537 29.3519 177.7732 30 G 4.2809 8.2659 104.6174 43.7677 0.0000 173.4023 31 K 3.9861 8.2739 118.9363 57.0362 30.8456 174.4045 32 R 5.3053 8.0488 112.2908 54.6478 33.4906 173.6811 33 I 5.0998 8.8338 119.5264 59.4727 42.4203 174.1479 34 R 5.1046 8.9876 124.7641 54.6400 33.9066 174.4288 35 A 5.1749 9.1009 125.2779 51.1040 23.6582 173.5756 36 Y 5.2861 8.5840 115.2236 56.0699 42.1658 174.0693 37 K 4.9907 9.2969 121.7494 54.5809 35.1087 174.8778 38 N 4.8831 9.6379 126.5661 53.3261 39.3494 174.7419 39 V 4.5910 8.6886 124.3774 61.6263 33.1962 174.5414 40 S 5.0408 9.9877 122.9299 56.2533 64.8788 174.0367 41 I 3.4521 8.5108 125.0141 63.5896 38.2688 175.4815 42 N 4.7394 7.6932 119.1980 53.8495 38.3523 174.3730 43 E 4.6982 7.6839 116.8933 53.3433 33.0763 175.6820 44 P 4.2050 0.0000 0.0000 66.0215 31.1979 178.1102 45 F 4.3616 7.1905 113.3822 58.9606 37.8523 177.4843 46 F 4.4814 7.1417 118.5849 60.6403 38.4034 177.1375 47 N 4.5589 8.3887 115.1278 55.4548 38.4658 176.3997 48 G 4.1404 7.7399 104.6584 44.4262 0.0000 173.8557 49 H 3.8434 7.8473 120.4057 54.0389 30.3492 171.5531 50 F 5.1801 8.9738 121.4715 53.9280 43.2666 172.9058 51 P 4.3968 0.0000 0.0000 64.5529 31.3525 176.4315 52 E 3.7866 9.1822 119.9618 57.4147 27.8044 175.4157 53 H 4.9586 8.2442 116.1980 53.9699 30.9344 170.1396 54 P 4.9436 0.0000 0.0000 62.1691 31.9035 175.9838 55 I 4.9204 8.8536 129.3451 60.2471 41.3346 175.9309 *57 P 3.5947 0.0000 0.0000 62.9296 32.1845 176.5014 58 G 2.8445 8.3639 110.6963 47.9211 0.0000 176.2098 59 V 3.8990 7.6567 114.3955 64.1060 31.4647 178.1785 60 L 3.9091 7.4988 117.9386 56.6773 41.2118 179.2993 61 I 3.7197 7.7242 120.1136 64.0566 37.1939 177.8357 62 I 3.7557 7.7298 119.2131 64.4206 37.2902 177.4378 63 E 3.8435 8.0003 119.7247 59.0407 29.3225 179.2502 64 A 3.6435 7.6624 116.8715 52.9307 18.2913 178.7920 *66 A 4.0241 8.0034 125.2808 53.4561 20.9048 180.0964 67 Q 3.8852 7.7690 114.9743 58.7185 28.8649 178.3250 68 A 3.8217 7.8073 121.6436 54.7835 18.2702 179.4290 69 A 3.2563 7.5719 118.8739 55.0988 18.2395 179.7277 70 G 2.8410 7.2044 103.4561 47.9308 0.0000 175.8208 71 I 3.7590 7.3127 121.6695 63.9794 36.8275 178.2887 72 L 3.9486 7.2832 120.4851 58.3763 41.9433 178.4262 73 G 3.1541 7.2994 106.0915 46.6604 0.0000 174.8072 74 F 4.6751 7.4445 119.2492 59.9536 39.2356 179.8080 75 K 4.2134 7.6888 116.3237 56.1893 32.5456 177.4319 *77 L 4.0143 7.8462 116.2241 61.4863 41.7508 177.4232 78 D 4.2577 7.3181 113.5826 56.7748 39.7567 173.8409 79 V 4.4730 7.5740 120.0243 60.0542 34.0126 176.3381 80 K 4.2533 8.0535 120.9422 53.6579 31.6332 176.2067 81 P 4.4134 0.0000 0.0000 62.0307 30.0399 179.3150 82 A 4.2558 7.1771 122.2612 49.8821 17.9312 177.1592 83 D 4.5781 7.8957 122.4153 53.3010 41.0625 178.2994 84 G 4.0494 7.9088 104.6139 47.3966 0.0000 173.2799 85 T 4.2492 7.3839 112.8647 61.9611 68.0432 173.1727 86 L 4.9277 9.0968 128.4705 54.4101 46.4306 174.2976 87 Y 4.4621 8.8512 121.8124 56.5336 38.2641 173.0807 88 Y 4.5032 8.4741 125.4709 57.1665 40.1850 174.2466 89 F 4.5484 8.8970 130.1106 59.3372 39.2566 174.4902 90 V 3.8444 8.0308 120.2754 62.5521 33.7883 175.8565 91 G 3.7566 6.6699 105.0659 46.4373 0.0000 172.0195 92 S 5.2465 8.0192 109.7095 58.3404 64.7920 175.4266 93 D 4.7536 8.2631 126.0175 52.8915 44.0043 176.4299 94 K 3.7925 8.2843 113.7212 57.3646 29.7002 172.2980 95 L 5.0002 8.0533 128.4443 53.1063 44.7909 175.5670 96 R 4.6749 8.9190 124.2305 54.3459 34.8111 174.0543 97 F 5.3398 8.7115 119.7106 56.0776 41.4367 175.1721 98 R 4.7158 9.5450 122.7117 55.2648 31.0722 176.4604 99 Q 4.8205 7.7313 118.3673 54.8402 29.9980 171.7581 100 P 4.3420 0.0000 0.0000 62.9139 31.9919 175.6111 101 V 4.3144 8.2340 120.6067 61.4992 32.8454 174.9894 102 L 4.9165 8.8181 126.3887 51.7603 44.6245 174.1555 103 P 4.4952 0.0000 0.0000 64.2217 31.6034 176.7699 104 G 4.0747 9.0229 110.0724 45.5590 0.0000 174.0693 105 D 4.5405 7.8862 119.2605 54.2855 42.3487 175.7429 106 Q 4.6768 8.3737 122.8239 53.9871 30.3236 174.6789 107 L 4.0887 8.8282 130.0803 55.3405 43.2448 175.7743 108 Q 4.7678 9.1905 127.7375 55.3048 30.0390 175.0702 109 L 4.9128 9.3593 125.8305 53.3338 44.2956 175.4162 110 H 5.4643 9.1237 119.7047 53.9792 32.8027 172.3830 111 A 5.0873 8.9089 123.9605 50.0704 22.4805 174.4037 112 K 4.8837 9.1274 124.5553 54.3112 34.7754 175.2727 113 F 4.2542 9.5212 130.6544 59.1186 39.6072 172.8490 114 I 4.0132 7.4534 122.5159 60.5994 39.1114 178.7815 115 S 4.5629 7.3993 125.3249 59.3651 66.5135 174.5096 116 V 5.2538 6.6279 119.8652 62.4154 32.1288 169.9017 117 K 4.1902 8.0147 126.8845 57.1726 32.8646 177.0922 118 R 4.1725 8.2360 129.7718 56.6558 26.6374 178.5830 119 S 4.6917 8.8683 124.5686 59.0894 64.1094 172.9768 120 I 4.6517 7.5884 123.6475 60.7954 38.0933 174.9887 121 W 5.0603 9.7606 128.0966 55.3792 31.8275 175.7169 122 K 5.1889 8.2947 120.2663 54.8615 35.7822 175.3358 123 F 5.2656 9.6496 122.2473 55.8198 43.8625 173.4548 124 D 4.8249 9.5348 122.5587 53.2000 42.5248 174.6543 125 C 5.5395 8.9518 124.1413 58.3411 31.6652 173.1263 126 H 5.3626 9.3018 118.2237 54.0097 33.0282 172.2193 127 A 5.4677 9.2225 123.1057 50.5616 22.2101 175.2781 128 T 5.0567 8.9612 110.2838 60.2343 73.0617 172.7872 129 V 4.5003 8.4715 122.6960 61.7104 34.5020 175.3379 130 D 4.3815 9.4553 127.4996 56.1569 38.2476 173.7175 131 D 4.3777 8.1095 113.3255 54.9744 40.5696 174.6819 132 K 4.3552 8.0606 120.1558 54.2491 33.0703 174.5859 133 P 4.6263 0.0000 0.0000 63.3827 31.8688 175.1357 134 V 4.3160 9.0089 122.1047 64.1641 33.7343 174.6862 135 C 5.3479 7.8243 118.5803 58.2255 35.6601 172.2574 136 S 4.9865 8.3791 115.5482 57.4669 66.3324 173.1472 137 A 4.7237 8.4979 122.9088 52.4031 23.5262 174.6385 138 E 4.8945 8.1190 120.5799 54.7529 31.3585 174.7169 139 I 4.5435 8.5198 129.1248 60.7397 39.1354 175.3254 140 I 5.4402 8.7590 127.2796 59.2273 39.6692 174.6513 141 C 5.2904 9.1160 124.3694 58.3742 31.3862 173.1072 142 A 4.9305 8.7784 122.0436 48.0855 18.9876 173.3984 143 E 3.5629 8.3623 118.4941 56.0806 30.4687 176.0034 144 R 4.7983 9.0724 125.7254 55.1695 35.4048 173.7307 145 K 4.8002 8.3029 117.6967 55.0386 35.2030 176.1593 146 L 4.1040 8.4285 121.8550 55.1624 41.4172 176.8980 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 3 D 8.22 4.57 0.00 2.86 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.15 3.49 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 1.64 1.20 0.91 0.00 0.00 5 N 8.91 4.37 0.00 2.73 2.86 0.00 0.00 6.92 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 6 E 8.57 4.55 0.00 2.19 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 0.00 2.37 2.46 0.00 7 I 7.79 3.84 2.07 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 1.50 0.89 0.92 0.00 0.00 8 R 7.77 4.29 0.00 1.81 1.98 0.00 3.18 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 9 E 8.63 4.19 0.00 2.10 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.45 0.00 10 Y 7.81 3.99 0.00 2.97 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 11 L 7.92 4.83 0.00 1.73 1.79 0.88 1.09 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 12 P 0.00 4.54 0.00 2.17 2.16 0.00 3.97 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 1.90 2.02 0.00 13 H 8.16 4.28 0.00 3.19 3.59 0.00 5.85 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.17 4.74 0.00 1.85 1.89 0.00 3.34 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.59 0.00 15 Y 8.68 4.38 0.00 2.96 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 16 P 0.00 4.21 0.00 1.79 0.84 0.00 3.78 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 1.94 1.83 0.00 17 F 8.96 4.46 0.00 2.86 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 18 L 8.19 4.72 0.00 1.63 1.62 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.79 4.63 0.00 1.46 1.48 0.45 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.60 4.20 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 0.72 0.00 0.00 0.82 0.00 0.00 21 D 8.45 4.59 0.00 2.64 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 7.02 4.12 0.00 1.42 0.66 0.00 3.16 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.38 0.00 23 V 8.27 4.37 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 0.84 0.00 0.00 0.82 0.00 0.00 24 V 8.46 3.95 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 0.91 0.00 0.00 1.05 0.00 0.00 25 E 8.43 4.58 0.00 2.04 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 0.00 2.21 2.27 0.00 26 L 8.63 4.70 0.00 1.57 1.50 0.85 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.68 4.75 0.00 2.90 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 28 I 8.16 3.77 1.88 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 1.42 0.58 0.91 0.00 0.00 29 E 8.34 3.90 0.00 2.00 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 2.33 2.33 0.00 30 G 8.27 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 31 K 8.27 3.99 0.00 2.13 2.15 0.00 1.58 0.00 0.00 1.95 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.79 7.81 32 R 8.05 5.31 0.00 2.02 2.05 0.00 2.75 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 33 I 8.83 5.10 1.83 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 1.17 1.56 0.96 0.00 0.00 34 R 8.99 5.10 0.00 1.77 1.79 0.00 3.27 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 35 A 9.10 5.17 1.12 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 36 Y 8.58 5.29 0.00 3.01 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 37 K 9.30 4.99 0.00 1.87 1.70 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.60 7.81 38 N 9.64 4.88 0.00 2.88 2.84 0.00 0.00 6.94 7.68 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 39 V 8.69 4.59 2.31 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 1.38 0.00 0.00 1.09 0.00 0.00 40 S 9.99 5.04 0.00 3.88 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 41 I 8.51 3.45 1.69 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.69 0.85 0.00 0.00 42 N 7.69 4.74 0.00 2.73 2.77 0.00 0.00 6.97 7.24 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 43 E 7.68 4.70 0.00 1.17 1.14 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 2.23 2.48 0.00 44 P 0.00 4.21 0.00 2.12 2.24 0.00 3.59 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 1.83 1.72 0.00 45 F 7.19 4.36 0.00 3.08 3.20 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 46 F 7.14 4.48 0.00 2.97 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 47 N 8.39 4.56 0.00 2.70 2.92 0.00 0.00 6.76 7.65 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 48 G 7.74 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 49 H 7.85 3.84 0.00 2.76 2.98 0.00 5.53 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.97 5.18 0.00 3.21 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 51 P 0.00 4.40 0.00 2.12 2.07 0.00 4.03 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.41 0.00 52 E 9.18 3.79 0.00 2.02 1.92 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 2.19 2.31 0.00 53 H 8.24 4.96 0.00 3.35 3.28 0.00 5.82 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.94 0.00 1.36 1.82 0.00 3.72 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 1.87 1.82 0.00 55 I 8.85 4.92 2.17 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 1.38 0.97 1.05 0.00 0.00 *57 P 0.00 3.59 0.00 1.58 1.52 0.00 2.49 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.25 0.00 58 G 8.36 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 0.00 0.00 0.00 59 V 7.66 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 0.83 0.00 0.00 0.79 0.00 0.00 60 L 7.50 3.91 0.00 1.35 1.20 -0.26 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.72 3.72 2.21 0.00 0.00 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 1.48 0.56 0.97 0.00 0.00 62 I 7.73 3.76 2.02 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.86 0.69 0.00 0.00 63 E 8.00 3.84 0.00 2.07 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 64 A 7.66 3.64 1.33 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 0.00 0.00 *66 A 8.00 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 7.77 3.89 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.06 2.49 0.00 68 A 7.81 3.82 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.57 3.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.20 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 0.00 0.00 0.00 71 I 7.31 3.76 1.84 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 1.42 1.49 0.64 0.00 0.00 72 L 7.28 3.95 0.00 1.52 1.71 0.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.30 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 0.00 0.00 0.00 74 F 7.44 4.68 0.00 3.20 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 7.69 4.21 0.00 1.76 1.77 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.40 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.96 1.30 7.81 *77 L 7.85 4.01 0.00 1.91 1.97 1.18 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 78 D 7.32 4.26 0.00 2.73 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 79 V 7.57 4.47 2.35 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 1.04 0.00 0.00 0.98 0.00 0.00 80 K 8.05 4.25 0.00 1.65 1.64 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.37 7.81 81 P 0.00 4.41 0.00 1.27 1.02 0.00 3.27 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.17 0.00 82 A 7.18 4.26 1.15 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 0.00 0.00 83 D 7.90 4.58 0.00 2.75 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 84 G 7.91 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 85 T 7.38 4.25 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 1.21 0.00 0.00 86 L 9.10 4.93 0.00 1.85 1.52 1.16 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.85 4.46 0.00 2.89 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 88 Y 8.47 4.50 0.00 3.07 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 89 F 8.90 4.55 0.00 2.86 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 90 V 8.03 3.84 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 0.93 0.00 0.00 0.98 0.00 0.00 91 G 6.67 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 0.00 0.00 0.00 92 S 8.02 5.25 0.00 4.04 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 93 D 8.26 4.75 0.00 2.61 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 94 K 8.28 3.79 0.00 1.84 1.86 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.39 7.81 95 L 8.05 5.00 0.00 1.56 1.43 0.56 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.92 4.67 0.00 1.66 1.66 0.00 3.11 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 97 F 8.71 5.34 0.00 2.93 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 9.55 4.72 0.00 1.81 1.98 0.00 3.28 0.00 0.00 3.29 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 99 Q 7.73 4.82 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.95 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 100 P 0.00 4.34 0.00 2.26 2.15 0.00 3.79 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 2.03 1.99 0.00 101 V 8.23 4.31 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 0.91 0.00 0.00 0.98 0.00 0.00 102 L 8.82 4.92 0.00 1.71 1.53 0.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.50 0.00 1.85 1.83 0.00 3.53 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.86 0.00 104 G 9.02 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 0.00 105 D 7.89 4.54 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 0.00 106 Q 8.37 4.68 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.09 0.00 0.00 0.00 0.00 0.00 1.88 2.22 0.00 107 L 8.83 4.09 0.00 1.86 1.69 0.95 0.56 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 0.00 108 Q 9.19 4.77 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.56 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 109 L 9.36 4.91 0.00 1.53 1.49 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 110 H 9.12 5.46 0.00 3.19 3.17 0.00 5.56 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 0.00 111 A 8.91 5.09 1.13 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 0.00 0.00 112 K 9.13 4.88 0.00 1.88 1.86 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.42 7.81 113 F 9.52 4.25 0.00 3.11 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 0.00 114 I 7.45 4.01 1.68 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 1.15 0.84 0.71 0.00 0.00 115 S 7.40 4.56 0.00 3.62 3.61 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 0.00 116 V 6.63 5.25 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 0.80 0.00 0.00 -0.16 0.00 0.00 117 K 8.01 4.19 0.00 1.64 1.75 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.48 7.81 118 R 8.24 4.17 0.00 2.01 1.20 0.00 3.23 0.00 0.00 3.28 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 119 S 8.87 4.69 0.00 4.11 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 0.00 120 I 7.59 4.65 1.91 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 1.40 1.29 1.00 0.00 0.00 121 W 9.76 5.06 0.00 3.56 3.27 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 0.00 122 K 8.29 5.19 0.00 1.51 1.57 0.00 1.64 0.00 0.00 1.87 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.31 7.81 123 F 9.65 5.27 0.00 2.97 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 0.00 124 D 9.53 4.82 0.00 2.76 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 0.00 125 C 8.95 5.54 0.00 2.85 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 0.00 126 H 9.30 5.36 0.00 3.12 3.17 0.00 5.75 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 0.00 127 A 9.22 5.47 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 0.00 0.00 0.00 0.00 0.00 128 T 8.96 5.06 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 1.27 0.00 0.00 129 V 8.47 4.50 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 1.06 0.00 0.00 0.96 0.00 0.00 130 D 9.46 4.38 0.00 2.81 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 0.00 131 D 8.11 4.38 0.00 2.83 2.76 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 0.00 132 K 8.06 4.36 0.00 1.90 1.73 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.45 7.81 133 P 0.00 4.63 0.00 2.20 2.10 0.00 3.74 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 134 V 9.01 4.32 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 1.06 0.00 0.00 1.04 0.00 0.00 135 C 7.82 5.35 0.00 3.16 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 0.00 136 S 8.38 4.99 0.00 3.75 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.50 4.72 1.12 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 0.00 138 E 8.12 4.89 0.00 2.07 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 2.25 2.27 0.00 139 I 8.52 4.54 2.02 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 1.26 0.62 1.08 0.00 0.00 140 I 8.76 5.44 2.00 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 1.31 2.15 1.06 0.00 0.00 141 C 9.12 5.29 0.00 3.31 3.14 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 0.00 142 A 8.78 4.93 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 0.00 143 E 8.36 3.56 0.00 1.22 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 2.20 2.02 0.00 144 R 9.07 4.80 0.00 1.70 1.74 0.00 3.08 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.84 0.00 145 K 8.30 4.80 0.00 1.79 1.73 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.41 7.81 146 L 8.43 4.10 0.00 1.67 1.61 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.