NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 I 4.1103 8.0249 121.4497 61.2081 38.0977 174.5128 21 I 4.1260 8.2579 127.0369 59.0669 38.4363 173.7550 22 D 4.5115 8.4834 125.1888 55.9259 42.7212 175.4760 23 R 4.4014 7.1561 111.5346 55.5904 31.4538 173.4329 24 I 4.0812 8.2418 119.4613 61.0305 38.1598 175.3754 25 D 4.7124 8.5730 124.4565 56.3838 42.7456 175.1486 26 H 5.2947 7.8885 110.1225 56.1338 31.4034 172.1039 27 L 4.6661 8.2890 117.0901 54.8051 43.8549 174.2016 28 V 4.8220 8.3159 119.4984 61.1985 33.4810 174.4430 29 L 4.7480 8.8115 127.9308 53.4091 44.2597 175.4433 30 T 4.9293 8.5015 120.5544 62.4731 70.1562 174.2493 31 V 4.8228 8.7867 119.8196 59.3596 35.2890 177.2637 32 S 4.0366 9.3550 117.3061 60.9533 62.6142 174.7452 33 D 4.7272 7.8049 119.8883 51.7113 43.7209 175.0616 34 I 3.7638 8.9458 129.2477 64.8580 37.2253 178.4441 35 S 4.1691 8.1282 115.0762 62.1172 62.8444 176.8403 36 T 3.9171 8.4156 118.2881 66.8986 68.1782 176.9226 37 T 4.0665 8.1583 117.5820 66.7850 68.4902 176.7651 38 I 3.8972 8.4604 122.0349 64.5305 37.1654 178.5288 39 R 3.9414 8.2778 118.9222 59.2799 29.8705 178.7988 40 F 3.9966 8.1193 119.6422 61.7288 39.4739 176.8972 41 Y 3.5115 8.1770 116.1781 60.6282 37.3429 178.4881 42 E 4.6257 8.3710 121.2140 59.0125 29.4508 179.1689 43 E 3.8890 7.8697 117.2995 58.8906 29.6209 178.5932 44 V 3.5284 7.2925 117.7768 65.2496 31.7041 177.0365 45 L 3.7168 6.9710 116.1767 54.6290 41.7503 177.8120 46 G 3.8976 7.8651 106.0252 46.6402 0.0000 173.5161 47 F 5.1045 7.9689 119.1439 57.1803 40.7972 174.3119 48 S 5.1046 8.7989 114.3899 56.4768 65.2806 173.4473 49 A 4.8173 9.2720 127.3705 51.8476 19.1901 176.9968 50 V 4.3596 8.9790 114.2020 59.7379 36.0662 174.6733 51 T 4.8569 8.1542 119.9760 62.0154 70.6031 173.9017 52 F 4.9158 9.0213 125.2625 55.0639 42.8454 175.0761 53 K 3.9387 8.6984 119.8002 58.3416 32.3166 177.1713 54 Q 3.6392 9.0465 119.7245 55.8611 26.1050 173.3146 55 N 4.2888 7.9640 114.5315 54.4758 38.1139 174.2607 56 R 4.3111 7.8240 114.6807 55.6847 31.5205 175.8584 57 K 5.2854 8.7155 120.5505 54.9769 35.9627 174.8455 58 A 5.2135 8.8301 123.0976 50.8527 23.5597 174.8865 59 L 5.1669 9.0529 119.6843 53.1599 44.3944 175.9309 60 I 4.8459 8.6861 125.3647 59.8071 39.9652 174.7399 61 F 4.7231 8.2288 117.8994 56.1236 41.0075 174.9101 62 G 3.8027 8.9076 109.9985 47.3861 0.0000 174.0519 63 A 4.6169 8.3779 122.2257 51.6571 19.5770 175.5695 64 Q 4.7006 7.4700 118.6837 56.1903 34.0829 174.1206 65 K 4.5646 8.0339 116.9603 56.3842 36.4626 174.8242 66 I 4.8865 8.7659 122.5404 59.6625 39.7137 174.9140 67 N 4.9581 9.1050 125.6452 52.9512 39.9164 174.2837 68 L 5.2193 8.6102 122.5576 53.3663 44.2861 175.6625 69 H 4.9270 9.2502 120.3866 54.2764 31.4893 174.1513 70 Q 4.8608 8.8438 122.9083 56.0504 29.5759 174.9975 *76 E 4.1268 7.8122 115.8718 56.2583 30.6135 173.7435 77 P 4.6422 0.0000 0.0000 62.2145 32.6467 174.6750 78 K 4.5023 7.9654 116.7223 55.2935 34.4512 175.3400 79 A 4.1512 8.3496 120.9723 52.1403 18.7518 178.5912 80 S 4.3449 8.6433 114.8599 60.9763 62.7811 175.0130 81 R 4.5881 7.1522 115.2745 52.9637 30.4330 171.4816 82 P 4.2823 0.0000 0.0000 62.9114 32.1204 176.4951 83 T 4.5377 8.2750 119.2865 61.2273 71.7678 171.6767 84 P 4.9202 0.0000 0.0000 63.4133 31.8860 176.8798 85 G 3.9633 9.1803 109.4008 46.8473 0.0000 173.9309 86 S 4.4956 7.7249 112.0143 57.9010 63.7536 173.8167 87 A 4.5990 7.5953 123.6185 51.2747 20.9751 176.3047 88 D 4.9674 8.5788 119.5159 52.7725 43.1719 174.1376 89 L 4.7871 9.0679 125.4498 52.6135 45.7268 175.0904 90 C 5.0670 8.2697 121.4390 57.5772 33.9718 172.8526 91 F 5.1277 9.2266 124.8492 55.8295 41.6873 174.4541 92 I 4.8970 8.5887 123.2714 60.4753 38.4617 174.9666 93 T 4.8792 8.9846 121.1515 60.4688 69.7940 173.9341 94 S 4.5911 8.7871 119.8365 58.9733 64.1434 174.6786 95 T 4.0746 7.6114 119.0522 62.4102 68.9918 172.6084 96 P 4.3506 0.0000 0.0000 63.1499 32.0108 176.9253 97 I 3.6650 9.0897 123.7827 64.5972 37.8865 177.7378 98 N 4.3862 8.0980 116.5663 56.1806 38.4097 176.9704 99 D 4.3985 8.1539 120.5979 56.9587 40.8084 178.9309 100 V 3.5296 7.5734 118.5264 65.9064 31.6451 177.8553 101 V 3.5505 7.8572 118.0725 66.2828 31.2327 177.9682 102 S 4.1022 7.9803 112.5276 61.2837 62.0161 175.9376 103 E 3.9507 8.1443 119.5025 59.2349 29.7113 178.9888 104 I 3.8056 7.9176 120.9397 64.2168 37.1157 178.3484 105 L 4.0109 7.8627 119.8043 57.9571 41.2836 179.6028 106 Q 4.0133 8.2061 116.2852 57.9314 28.6591 177.5342 107 A 4.4724 7.5301 119.7324 51.3689 19.1479 177.7856 108 G 3.8503 8.0078 105.8675 45.8118 0.0000 173.7443 109 I 4.2404 7.4122 119.8457 59.9620 38.2528 175.8136 110 S 4.3520 8.4791 121.1258 58.1946 63.5400 173.7188 111 I 4.3903 8.0938 125.4508 59.9537 37.7316 176.1138 112 V 3.7134 8.8619 127.0840 65.6618 31.7715 175.5476 113 E 4.5728 8.1203 116.8305 56.1880 31.9727 174.3176 114 G 4.2025 8.9001 109.1887 43.3375 0.0000 171.2932 115 P 4.7292 0.0000 0.0000 62.9694 31.8200 176.1845 116 V 4.5862 8.8418 122.3390 60.9213 35.5224 174.0766 117 E 4.6753 8.8125 126.0016 56.7974 30.0712 176.2985 118 R 4.8074 9.2492 122.2778 54.9195 35.6700 174.2004 119 T 4.5382 8.4564 111.1469 60.4184 69.5370 175.0542 120 G 3.8199 9.0553 117.0921 43.8641 0.0000 173.1267 121 A 4.1134 8.8579 121.6227 54.9273 18.1569 178.6462 122 T 4.5693 9.5142 102.1757 60.2216 69.6325 174.5219 123 G 4.0182 7.2290 108.5762 45.7234 0.0000 171.0029 124 E 4.6133 8.4155 121.0882 56.4095 30.1760 176.8997 125 I 4.6464 8.7973 119.1803 59.3365 42.0671 173.3263 126 M 4.9244 8.6949 122.9587 54.0190 34.1948 174.7087 127 S 5.2063 9.0770 122.2114 56.6219 66.7498 172.8800 128 I 4.7570 8.3201 122.3970 59.4322 41.1758 173.5032 129 Y 5.3853 9.1473 126.9323 56.4250 40.7893 174.8377 130 I 5.0449 8.8885 115.8492 59.8333 41.9967 173.5931 131 R 5.2205 8.4419 120.2052 54.3913 33.4198 175.8326 132 D 3.3700 8.2481 122.0218 50.7341 41.1155 175.3569 133 P 3.9695 0.0000 0.0000 65.5165 31.2689 177.2758 134 D 4.5000 8.1546 115.6912 54.3755 41.3294 177.6348 135 G 4.1008 8.1855 108.0264 44.5818 0.0000 173.6772 136 N 4.5767 8.3335 117.9437 53.2906 39.9759 173.8560 137 L 4.6337 8.9851 125.5793 54.5471 43.8282 175.2814 138 I 4.8842 9.1566 127.6157 59.6585 40.1160 174.0723 139 E 4.5627 9.5452 129.7411 54.6202 31.2958 174.4699 140 I 4.9772 8.5101 129.0360 59.9222 39.3394 175.2188 141 S 5.1663 9.2229 122.5688 56.7260 67.7506 172.7348 142 Q 4.9805 8.5238 122.3345 54.2869 32.1848 175.1475 143 Y 4.0761 8.7593 122.1849 58.3901 37.9702 175.6662 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 20 I 8.02 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 1.41 1.06 0.91 0.00 0.00 21 I 8.26 4.13 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.15 0.90 0.00 0.00 22 D 8.48 4.51 0.00 2.60 2.66 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 23 R 7.16 4.40 0.00 1.89 1.85 0.00 3.07 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.53 0.00 24 I 8.24 4.08 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 1.30 0.56 0.92 0.00 0.00 25 D 8.57 4.71 0.00 2.76 2.55 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 26 H 7.89 5.29 0.00 3.20 3.19 0.00 5.39 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.29 4.67 0.00 1.77 1.78 0.99 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.32 4.82 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 0.58 0.00 0.00 0.88 0.00 0.00 29 L 8.81 4.75 0.00 1.66 1.61 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.50 4.93 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 1.30 0.00 0.00 31 V 8.79 4.82 2.27 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 1.01 0.00 0.00 1.02 0.00 0.00 32 S 9.35 4.04 0.00 3.83 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 33 D 7.80 4.73 0.00 2.78 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.95 3.76 1.91 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 1.80 0.73 0.97 0.00 0.00 35 S 8.13 4.17 0.00 4.06 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 36 T 8.42 3.92 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 1.23 0.00 0.00 37 T 8.16 4.07 4.55 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 1.54 0.00 0.00 38 I 8.46 3.90 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.90 0.98 0.00 0.00 39 R 8.28 3.94 0.00 2.08 2.03 0.00 3.17 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.96 0.00 40 F 8.12 4.00 0.00 3.06 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 41 Y 8.18 3.51 0.00 3.23 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 42 E 8.37 4.63 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 2.59 2.53 0.00 43 E 7.87 3.89 0.00 2.00 1.90 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 2.30 2.27 0.00 44 V 7.29 3.53 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 0.00 0.00 0.37 0.00 0.00 0.43 0.00 0.00 45 L 6.97 3.72 0.00 0.69 0.16 0.57 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.87 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 47 F 7.97 5.10 0.00 3.07 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 48 S 8.80 5.10 0.00 3.89 3.98 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 49 A 9.27 4.82 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 50 V 8.98 4.36 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.75 0.00 0.00 51 T 8.15 4.86 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 1.18 0.00 0.00 52 F 9.02 4.92 0.00 2.93 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 53 K 8.70 3.94 0.00 1.85 1.73 0.00 1.84 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.50 7.81 54 Q 9.05 3.64 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.51 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 55 N 7.96 4.29 0.00 2.82 2.91 0.00 0.00 7.13 7.50 0.00 0.00 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 R 7.82 4.31 0.00 2.01 1.94 0.00 3.13 0.00 0.00 3.55 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 57 K 8.72 5.29 0.00 1.70 1.72 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.38 7.81 58 A 8.83 5.21 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 59 L 9.05 5.17 0.00 1.65 1.78 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.69 4.85 1.84 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 1.25 0.83 0.79 0.00 0.00 61 F 8.23 4.72 0.00 2.79 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 0.00 0.00 0.00 62 G 8.91 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 63 A 8.38 4.62 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 64 Q 7.47 4.70 0.00 1.06 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.14 0.00 65 K 8.03 4.56 0.00 1.83 1.71 0.00 1.32 0.00 0.00 1.66 0.00 0.00 2.65 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.37 7.81 66 I 8.77 4.89 1.93 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.22 0.94 0.00 0.00 67 N 9.11 4.96 0.00 2.66 2.77 0.00 0.00 6.44 6.26 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 68 L 8.61 5.22 0.00 1.60 1.64 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 69 H 9.25 4.93 0.00 3.07 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.84 4.86 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.52 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00 *76 E 7.81 4.13 0.00 2.03 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 2.22 2.26 0.00 77 P 0.00 4.64 0.00 2.18 2.05 0.00 3.76 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 1.98 1.95 0.00 78 K 7.97 4.50 0.00 1.85 1.85 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.45 7.81 79 A 8.35 4.15 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 80 S 8.64 4.34 0.00 3.84 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 0.00 81 R 7.15 4.59 0.00 1.76 1.80 0.00 3.23 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 82 P 0.00 4.28 0.00 2.06 2.03 0.00 3.65 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.24 0.00 83 T 8.27 4.54 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 84 P 0.00 4.92 0.00 2.05 2.18 0.00 3.79 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 85 G 9.18 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 0.00 0.00 0.00 0.00 86 S 7.72 4.50 0.00 3.97 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 87 A 7.60 4.60 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.58 4.97 0.00 2.65 2.55 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 89 L 9.07 4.79 0.00 1.25 1.03 1.04 0.82 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 90 C 8.27 5.07 0.00 2.99 2.66 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 91 F 9.23 5.13 0.00 2.97 2.85 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 92 I 8.59 4.90 2.04 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 1.38 1.08 1.10 0.00 0.00 93 T 8.98 4.88 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 1.28 0.00 0.00 94 S 8.79 4.59 0.00 4.04 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 95 T 7.61 4.07 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 96 P 0.00 4.35 0.00 2.41 2.01 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 97 I 9.09 3.66 1.95 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 1.49 1.20 0.90 0.00 0.00 98 N 8.10 4.39 0.00 2.77 2.85 0.00 0.00 7.17 8.08 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 99 D 8.15 4.40 0.00 2.84 2.70 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 0.00 100 V 7.57 3.53 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 1.07 0.00 0.00 0.97 0.00 0.00 101 V 7.86 3.55 2.24 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 0.94 0.00 0.00 0.99 0.00 0.00 102 S 7.98 4.10 0.00 3.96 3.98 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 0.00 103 E 8.14 3.95 0.00 2.13 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 2.31 2.29 0.00 104 I 7.92 3.81 2.03 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 1.47 1.02 0.95 0.00 0.00 105 L 7.86 4.01 0.00 1.84 1.71 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.21 4.01 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 107 A 7.53 4.47 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 0.00 108 G 8.01 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 0.00 0.00 0.00 109 I 7.41 4.24 2.02 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 1.51 0.79 1.00 0.00 0.00 110 S 8.48 4.35 0.00 3.87 3.79 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 0.00 111 I 8.09 4.39 1.89 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 1.32 0.53 1.05 0.00 0.00 112 V 8.86 3.71 2.23 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 0.66 0.00 0.00 0.96 0.00 0.00 113 E 8.12 4.57 0.00 1.90 1.68 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 2.26 2.22 0.00 114 G 8.90 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 0.00 115 P 0.00 4.73 0.00 2.08 2.07 0.00 3.73 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 1.99 1.97 0.00 116 V 8.84 4.59 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 1.08 0.00 0.00 0.99 0.00 0.00 117 E 8.81 4.68 0.00 1.88 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 0.00 2.31 2.40 0.00 118 R 9.25 4.81 0.00 1.59 1.75 0.00 3.34 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 119 T 8.46 4.54 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 0.00 120 G 9.06 3.82 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 0.00 0.00 0.00 121 A 8.86 4.11 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 0.00 122 T 9.51 4.57 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 0.00 123 G 7.23 4.02 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 0.00 0.00 0.00 124 E 8.42 4.61 0.00 1.99 1.90 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 2.30 2.35 0.00 125 I 8.80 4.65 1.49 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.95 -0.22 0.00 0.00 126 M 8.69 4.92 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 127 S 9.08 5.21 0.00 3.55 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 0.00 128 I 8.32 4.76 1.83 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 2.03 0.89 0.00 0.00 129 Y 9.15 5.39 0.00 2.95 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 0.00 130 I 8.89 5.04 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.24 0.96 0.00 0.00 131 R 8.44 5.22 0.00 1.61 1.75 0.00 3.17 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 132 D 8.25 3.37 0.00 2.03 2.55 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 0.00 133 P 0.00 3.97 0.00 1.98 2.10 0.00 3.27 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.86 0.00 134 D 8.15 4.50 0.00 2.82 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 0.00 135 G 8.19 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 0.00 0.00 0.00 136 N 8.33 4.58 0.00 3.05 2.93 0.00 0.00 6.58 6.02 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 0.00 137 L 8.99 4.63 0.00 1.79 1.59 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 138 I 9.16 4.88 2.04 0.00 0.00 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 1.42 1.10 1.25 0.00 0.00 139 E 9.55 4.56 0.00 1.87 1.79 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 1.88 1.47 0.00 140 I 8.51 4.98 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.57 0.91 0.00 0.00 141 S 9.22 5.17 0.00 3.55 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 0.00 142 Q 8.52 4.98 0.00 2.11 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 143 Y 8.76 4.08 0.00 3.04 2.91 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 0.00 * Residues marked with a * may have inaccurate shift predictions.