NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 P 4.3355 0.0000 0.0000 60.8892 32.4359 176.7306 *10 P 4.4601 0.0000 0.0000 61.0346 32.9847 174.4238 *11 P 4.7143 0.0000 0.0000 64.0295 30.9251 177.3841 *12 S 4.6072 8.8534 118.3587 58.7577 66.7983 175.2152 *13 S 4.4384 9.3228 122.1336 60.3367 60.3556 174.0087 *14 K 4.2268 8.6134 125.3217 55.8565 34.5539 173.9445 *15 P 5.0082 0.0000 0.0000 61.6024 33.2305 173.5002 16 A 4.7617 7.9952 119.2449 51.9132 22.1236 176.2677 *17 K 4.3276 8.6668 124.1065 54.4532 31.8414 177.3603 *18 S 5.4479 8.0880 128.0534 55.3355 60.5308 172.2586 19 G 4.5731 6.8072 106.9767 46.6495 0.0000 172.7024 20 G 4.1969 8.4506 105.1339 45.2796 0.0000 172.9857 21 G 3.9712 8.4410 111.9237 45.4054 0.0000 172.4247 *22 K 4.2967 8.5953 121.8288 51.1217 35.0133 174.9950 *23 Q 3.4888 8.4290 132.7260 57.1802 25.4232 173.6953 24 K 4.6580 7.4781 121.0466 54.4623 33.4514 174.3364 25 K 4.4645 7.9457 121.5684 58.1137 40.1218 174.2694 26 K 3.6534 7.4239 112.4280 54.4470 31.4828 174.3442 27 K 3.8620 7.2502 119.1514 54.9252 32.6399 177.1437 28 W 4.4279 8.0170 120.4877 55.9793 28.7905 174.1710 29 S 5.5470 8.1732 126.9701 56.5952 61.3112 174.6898 30 K 4.2982 7.7651 126.3581 58.4311 35.3766 175.2457 31 G 3.9655 8.9022 111.4497 45.9730 0.0000 175.0731 32 K 3.9656 8.1778 120.4696 57.3633 32.5425 175.3238 33 Q 3.2866 9.1059 120.2906 56.7942 29.6290 171.9016 34 K 4.3897 8.8964 119.0532 57.6809 29.6660 178.5262 35 E 3.9279 8.3013 117.4809 59.5019 29.3316 179.3418 36 K 4.9330 7.8708 117.2674 58.3098 32.2926 179.1298 37 V 3.8780 7.7270 117.9697 65.7763 31.5363 177.4109 38 N 4.1982 7.7179 115.8261 55.1888 39.0011 175.6623 39 N 4.5803 7.2473 117.9660 52.2566 38.3756 176.1383 40 S 4.5946 8.6136 113.4576 60.9846 63.4792 176.6015 41 V 3.5910 7.5632 120.5323 65.7972 31.1526 176.9343 42 L 4.3589 7.8901 117.9383 55.9997 42.3786 178.6629 43 F 4.0668 8.2949 120.0111 60.5304 39.7108 175.7921 44 D 4.3746 8.5072 120.8408 55.2233 40.8357 177.6983 45 K 4.2652 8.2715 118.7564 58.5001 34.2243 177.7981 46 A 4.0207 8.0299 120.5686 55.7944 18.0938 179.6032 47 T 3.7734 7.4505 107.4690 65.1036 68.6088 176.2715 48 Y 3.9812 8.3831 119.8964 60.8248 37.9120 178.2408 49 D 4.9181 7.9793 120.4085 57.1307 40.9176 178.6209 50 K 4.3742 8.1512 119.2228 59.0498 32.2743 179.2598 51 L 4.1184 7.8095 118.6915 57.9180 41.5093 179.8071 52 L 4.0057 7.6759 117.3372 57.9121 42.0997 179.2987 53 S 4.3286 8.3231 114.5661 61.5278 62.6556 176.3272 54 E 3.8827 8.6792 122.7426 58.9864 29.0079 179.4903 55 V 3.8058 7.8065 118.6341 65.1908 31.7400 176.2301 56 P 4.5352 0.0000 0.0000 65.4643 30.8682 178.4529 57 K 3.9762 8.0457 116.6483 59.2603 32.3468 177.9343 58 Y 4.1572 7.8333 115.7867 60.2353 37.6863 176.5602 59 K 4.6795 7.7483 117.9097 54.3040 35.1576 177.1499 60 Q 4.1802 9.0032 123.0382 58.4778 28.9732 176.3580 61 I 5.1569 7.5000 116.0246 59.7851 40.5500 175.2187 62 T 4.9646 9.1952 114.8379 59.5559 72.5725 171.4987 63 P 4.9543 0.0000 0.0000 62.1126 32.6411 177.4261 64 S 4.2738 8.6582 118.2275 61.2944 62.9682 176.7713 65 V 3.5321 7.6887 121.8041 65.5152 31.1957 177.7291 66 L 3.9965 7.8755 118.4105 57.8025 41.3783 179.4575 67 S 4.1136 8.1370 114.2348 61.3579 62.8457 176.3121 68 E 3.9290 8.2838 122.3718 59.3623 29.0431 179.7148 69 R 3.9196 7.7678 116.3531 59.2060 30.2861 178.8820 70 L 4.1250 7.8473 117.5192 58.0168 41.7793 179.6911 71 R 3.9817 7.9953 116.4570 56.8618 30.1933 176.6945 72 I 3.2525 7.7131 117.8636 62.7691 34.8284 173.0489 73 N 5.0667 7.9923 115.4930 50.7643 41.8103 175.7916 74 G 3.7987 8.3590 108.0211 44.5391 0.0000 175.0342 75 S 4.1411 8.5479 117.9320 61.3797 63.2074 176.9163 76 L 4.2900 8.1294 123.2555 56.7759 41.0101 179.0967 77 A 4.0598 7.7267 120.0369 54.3964 18.2977 178.8574 78 R 4.3708 7.9354 112.1360 56.2908 29.6159 178.2094 79 Q 3.9765 8.0374 120.4092 59.3801 28.7857 178.5164 80 A 4.1580 7.9328 121.2104 55.2283 18.4226 179.7250 81 I 4.8069 7.4000 119.1223 64.1653 36.9897 178.7912 82 K 4.0716 8.5014 119.7080 59.6608 31.8798 179.1362 83 D 4.5520 8.1545 120.4423 56.7763 40.7903 178.8346 84 L 3.9645 8.0292 119.4177 57.9209 41.5296 179.4679 85 E 3.9461 8.2752 118.7810 59.1775 29.4291 179.4483 86 S 4.5995 8.3132 116.1866 61.1544 62.7279 176.8807 87 R 4.1223 7.8444 120.8179 58.8464 29.8644 178.9872 88 G 3.6002 7.6222 104.2441 46.0234 0.0000 174.2671 89 A 4.2025 7.9870 121.1602 52.7277 17.8136 178.9424 90 I 3.8799 7.7444 117.3758 63.5347 37.5975 175.9744 91 R 5.2544 7.6713 116.8888 53.1476 34.5824 174.8564 92 V 4.5550 8.7630 120.6611 61.4061 34.6600 175.3846 93 V 4.6612 8.7926 127.6290 60.5133 33.2517 176.0994 94 S 4.8772 8.5165 117.8180 58.3430 65.7357 173.6496 95 V 4.3768 8.1376 118.4025 62.1417 34.3125 173.0024 96 H 4.8048 8.0379 120.6561 55.6392 31.2171 175.5843 97 S 4.2557 8.1398 116.7812 61.8221 63.3365 176.7243 98 S 4.3903 7.9806 113.1208 58.1442 62.2047 175.5375 99 Q 3.8161 8.3237 118.5582 56.6407 27.1577 173.7867 100 L 4.3561 7.2859 117.3779 53.7750 42.8260 176.8521 101 I 4.3751 6.5962 116.4246 62.2986 42.6489 172.2299 102 Y 4.9454 7.6328 118.5776 57.2326 42.0946 174.8189 103 T 4.7648 9.3366 112.6427 60.0379 71.5481 173.0714 104 R 5.0792 8.8125 124.4056 53.8142 34.0646 175.2154 105 A 4.5488 9.0800 126.2288 53.3895 19.5726 177.3120 106 T 4.6384 7.6179 102.2508 60.5563 71.4815 172.6545 107 N 4.7081 8.5822 120.1740 53.3056 40.1005 174.8812 108 A 4.0506 8.9356 125.3636 52.3176 18.6027 176.9667 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 *9 P 0.00 4.34 0.00 2.11 1.90 0.00 3.72 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 1.84 1.59 0.00 *10 P 0.00 4.46 0.00 2.16 1.89 0.00 3.69 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 1.94 1.65 0.00 *11 P 0.00 4.71 0.00 2.07 1.36 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.56 0.00 *12 S 8.85 4.61 0.00 3.55 3.57 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 0.00 0.00 0.00 *13 S 9.32 4.44 0.00 3.62 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 *14 K 8.61 4.23 0.00 1.69 1.71 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.19 0.76 7.81 *15 P 0.00 5.01 0.00 2.07 1.87 0.00 3.66 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 1.85 1.56 0.00 16 A 8.00 4.76 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 *17 K 8.67 4.33 0.00 1.79 1.64 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *18 S 8.09 5.45 0.00 3.73 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 19 G 6.81 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.45 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.44 3.97 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 0.00 0.00 0.00 *22 K 8.60 4.30 0.00 1.73 1.48 0.00 1.95 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 0.96 7.81 *23 Q 8.43 3.49 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.11 0.00 0.00 0.00 0.00 0.00 2.17 1.93 0.00 24 K 7.48 4.66 0.00 1.81 1.88 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.18 1.16 7.81 25 K 7.95 4.46 0.00 1.54 1.67 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.40 7.81 26 K 7.42 3.65 0.00 0.79 1.65 0.00 1.89 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.12 1.07 7.81 27 K 7.25 3.86 0.00 1.73 1.70 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.35 7.81 28 W 8.02 4.43 0.00 3.28 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 29 S 8.17 5.55 0.00 4.07 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.77 4.30 0.00 1.79 1.75 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.22 7.81 31 G 8.90 3.97 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 0.00 0.00 0.00 32 K 8.18 3.97 0.00 1.74 1.86 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.41 7.81 33 Q 9.11 3.29 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 5.95 0.00 0.00 0.00 0.00 0.00 2.23 2.60 0.00 34 K 8.90 4.39 0.00 1.89 2.28 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.34 7.81 35 E 8.30 3.93 0.00 2.00 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 2.38 2.38 0.00 36 K 7.87 4.93 0.00 1.74 1.90 0.00 1.81 0.00 0.00 2.30 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.35 7.81 37 V 7.73 3.88 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 1.03 0.00 0.00 1.01 0.00 0.00 38 N 7.72 4.20 0.00 2.75 2.73 0.00 0.00 7.06 8.62 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 39 N 7.25 4.58 0.00 2.82 2.93 0.00 0.00 6.85 7.80 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 40 S 8.61 4.59 0.00 4.80 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 41 V 7.56 3.59 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 0.80 0.00 0.00 0.96 0.00 0.00 42 L 7.89 4.36 0.00 1.94 1.68 0.93 0.97 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 43 F 8.29 4.07 0.00 3.24 3.19 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 44 D 8.51 4.37 0.00 2.81 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 45 K 8.27 4.27 0.00 1.80 1.84 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.48 7.81 46 A 8.03 4.02 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 47 T 7.45 3.77 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 1.17 0.00 0.00 48 Y 8.38 3.98 0.00 3.02 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 49 D 7.98 4.92 0.00 2.72 2.73 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 50 K 8.15 4.37 0.00 1.81 1.86 0.00 1.68 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.68 1.42 7.81 51 L 7.81 4.12 0.00 1.79 1.68 0.87 1.00 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 52 L 7.68 4.01 0.00 1.96 1.76 0.97 0.81 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 53 S 8.32 4.33 0.00 4.05 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 54 E 8.68 3.88 0.00 2.31 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 2.37 2.58 0.00 55 V 7.81 3.81 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.99 0.00 0.00 56 P 0.00 4.54 0.00 2.40 2.33 0.00 3.66 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 2.12 2.23 0.00 57 K 8.05 3.98 0.00 1.51 1.72 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.42 7.81 58 Y 7.83 4.16 0.00 3.09 3.02 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 0.00 0.00 0.00 0.00 59 K 7.75 4.68 0.00 1.93 1.71 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.45 7.81 60 Q 9.00 4.18 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 61 I 7.50 5.16 1.88 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 1.36 0.49 1.03 0.00 0.00 62 T 9.20 4.96 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 1.27 0.00 0.00 63 P 0.00 4.95 0.00 2.09 2.01 0.00 3.63 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 64 S 8.66 4.27 0.00 4.24 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 65 V 7.69 3.53 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 1.04 0.00 0.00 0.90 0.00 0.00 66 L 7.88 4.00 0.00 1.88 1.71 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.14 4.11 0.00 4.07 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.28 3.93 0.00 2.19 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 2.32 2.54 0.00 69 R 7.77 3.92 0.00 1.91 1.98 0.00 3.33 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 70 L 7.85 4.12 0.00 1.60 1.70 0.90 1.02 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 71 R 8.00 3.98 0.00 1.88 1.97 0.00 3.31 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 72 I 7.71 3.25 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 0.63 0.92 0.00 0.00 73 N 7.99 5.07 0.00 2.63 2.64 0.00 0.00 7.13 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 74 G 8.36 3.80 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 0.00 0.00 0.00 75 S 8.55 4.14 0.00 4.05 4.13 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 76 L 8.13 4.29 0.00 1.81 1.76 0.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.73 4.06 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 78 R 7.94 4.37 0.00 2.03 2.01 0.00 2.99 0.00 0.00 3.36 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 79 Q 8.04 3.98 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.70 0.00 80 A 7.93 4.16 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.40 4.81 1.58 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.77 -0.65 0.00 0.00 82 K 8.50 4.07 0.00 2.01 1.90 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.74 7.81 83 D 8.15 4.55 0.00 2.93 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 84 L 8.03 3.96 0.00 1.63 1.44 0.85 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.28 3.95 0.00 2.24 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 0.00 2.32 2.61 0.00 86 S 8.31 4.60 0.00 4.03 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 0.00 87 R 7.84 4.12 0.00 1.98 2.03 0.00 3.17 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 88 G 7.62 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.99 4.20 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.74 3.88 1.86 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 1.40 1.38 0.92 0.00 0.00 91 R 7.67 5.25 0.00 1.71 1.87 0.00 3.55 0.00 0.00 3.46 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 92 V 8.76 4.56 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 0.96 0.00 0.00 0.94 0.00 0.00 93 V 8.79 4.66 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 1.14 0.00 0.00 0.97 0.00 0.00 94 S 8.52 4.88 0.00 3.91 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 95 V 8.14 4.38 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 0.80 0.00 0.00 0.92 0.00 0.00 96 H 8.04 4.80 0.00 3.60 3.20 0.00 5.76 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.14 4.26 0.00 4.01 4.13 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 98 S 7.98 4.39 0.00 4.01 4.10 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 99 Q 8.32 3.82 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 100 L 7.29 4.36 0.00 1.53 1.43 0.85 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 101 I 6.60 4.38 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 1.68 0.64 1.09 0.00 0.00 102 Y 7.63 4.95 0.00 2.85 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 0.00 103 T 9.34 4.76 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 1.27 0.00 0.00 104 R 8.81 5.08 0.00 1.98 1.76 0.00 3.45 0.00 0.00 3.45 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 105 A 9.08 4.55 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 0.00 106 T 7.62 4.64 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 0.00 107 N 8.58 4.71 0.00 2.70 2.77 0.00 0.00 7.09 7.35 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 0.00 108 A 8.94 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.