NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3758 8.3344 115.4159 56.5560 64.2492 172.1842 3 N 4.2099 7.5232 119.6632 53.4623 40.9387 171.5361 4 T 4.2921 8.6057 119.4446 63.7737 70.0260 174.0344 5 L 4.7792 7.9194 117.7185 54.5306 45.3994 175.7694 6 F 4.8296 7.8951 118.9478 58.1545 42.6968 171.7230 7 D 4.2986 6.0933 120.2139 52.8238 43.9845 173.9630 8 D 4.4028 8.1532 123.6380 53.9175 45.3171 175.1257 9 I 4.6873 7.6451 125.1320 60.9782 38.8602 174.8196 10 F 5.0549 9.8567 124.4653 55.6863 43.7331 173.8381 11 Q 4.9691 9.8095 122.5442 54.3046 31.6974 174.5256 12 V 4.2686 8.8325 128.4002 62.6741 32.4772 176.1602 13 S 4.9489 8.6766 121.5851 57.9036 64.1512 173.6669 14 E 4.8913 7.8384 117.8757 55.6939 33.6886 174.4045 15 V 4.6129 8.5092 123.1595 59.9856 34.4439 174.9648 16 D 4.6773 8.5991 122.4651 51.3316 43.2660 173.9574 17 P 4.8110 0.0000 0.0000 61.2746 30.6751 178.8186 18 G 3.7863 7.8164 109.0187 48.6368 0.0000 172.2862 19 R 3.5527 7.7621 123.9281 57.5807 27.8125 175.4710 20 Y 5.0560 7.2044 114.1435 56.6366 42.6636 175.3681 21 N 4.7918 8.9772 118.8455 54.5999 40.4632 176.3396 22 K 4.4024 7.9513 115.8362 56.9588 33.5978 176.8032 23 V 4.9158 7.7797 118.4768 61.2205 34.5983 174.3223 24 C 5.2086 8.7753 121.5462 58.1608 32.9187 172.7532 25 R 5.1127 8.6362 122.0668 55.0296 31.8602 174.8058 26 I 4.6427 9.3875 128.4131 59.6733 39.7965 174.2514 27 E 5.1204 8.9383 127.8408 54.2825 30.9171 174.2092 28 A 5.3583 8.5849 126.3948 49.7660 23.0162 174.3059 29 A 5.2031 9.1770 120.5893 50.1572 22.9276 175.2391 30 S 4.5693 8.0582 113.6135 57.0168 63.4049 173.9480 31 T 3.5512 7.6719 117.4216 63.5475 68.6381 172.6723 32 T 3.4501 9.0501 125.9803 62.2809 65.4678 171.6734 33 Q 4.4083 8.2040 128.3665 55.0144 29.4664 176.0404 34 D 4.7627 8.7237 121.9675 55.1390 40.9583 176.8871 35 Q 4.6016 7.9833 117.0817 55.7542 29.3513 173.8925 36 C 5.6546 8.2563 118.6219 57.0932 34.6179 172.9356 37 K 5.0416 8.5598 123.2680 55.8037 35.8758 174.0739 38 L 4.9813 8.9272 121.3575 53.7344 46.0617 175.4008 39 T 5.6312 8.6022 119.9845 61.5814 72.6844 172.6852 40 L 5.4934 8.3347 126.9765 53.9029 46.0777 173.6998 41 D 5.5685 8.8100 125.0163 53.3993 42.3387 175.7449 42 I 4.4723 9.2917 125.9927 59.2349 40.1337 175.1653 43 N 5.6621 9.5159 127.6647 53.5518 36.4544 175.4613 44 V 4.0076 8.2341 121.5166 64.0225 32.2119 176.3874 45 E 4.1972 8.1824 118.9227 58.6413 29.7877 177.0522 46 L 4.2008 8.1368 118.6129 56.2347 42.1200 177.2058 47 F 4.8642 8.2390 128.5163 55.2635 39.7710 172.6414 48 P 4.2026 0.0000 0.0000 62.1971 31.6609 176.2579 49 V 3.8939 8.0930 122.4979 60.8886 32.7361 174.9396 50 A 4.3828 8.3267 129.7271 50.4781 20.3669 175.9975 51 A 4.1581 8.2060 122.6739 52.4410 19.1399 177.7219 52 Q 3.3366 8.2336 114.1199 57.0266 27.4427 174.2924 53 D 4.9153 7.7863 118.2164 53.8373 42.7055 175.3349 54 S 5.2158 8.5145 114.0741 56.7325 65.5155 173.3098 55 L 5.0100 9.2949 123.4821 53.2027 45.9333 175.4853 56 T 4.8208 8.3130 117.6058 62.2722 70.4033 173.7866 57 V 4.8624 9.1235 127.2968 61.6200 34.4811 174.5766 58 T 4.6236 8.4437 121.9232 62.6034 72.9749 172.0873 59 I 4.7228 8.7242 119.6190 57.9899 39.2498 180.8160 60 A 3.7752 8.0932 130.2707 53.8981 17.4916 176.6408 61 S 5.6468 7.8418 108.1629 58.4822 65.8290 177.7622 62 S 4.6045 7.9680 115.3953 60.0534 65.0869 176.4010 63 L 4.2027 8.6337 115.0098 52.7431 40.8428 174.5368 *76 T 4.1036 7.6017 114.0992 63.8598 69.6594 173.8666 77 R 3.7016 8.2723 125.1054 53.8721 31.3267 176.0217 78 S 3.9647 8.5715 115.2942 57.9202 62.8394 174.2461 79 W 4.2651 8.9667 134.9092 58.0180 30.7523 175.2728 80 R 4.1080 7.6736 124.0442 54.1242 30.9050 175.2567 81 P 3.7911 0.0000 0.0000 61.4260 32.9286 177.2493 82 P 4.5319 0.0000 0.0000 64.2366 30.5186 178.3073 83 Q 3.9198 8.9994 123.0643 57.5630 28.8082 174.6456 84 A 4.2221 7.6671 117.8240 53.3287 18.4322 178.0368 85 G 3.8203 8.0265 103.6911 46.6385 0.0000 173.1564 86 D 4.9477 7.6066 118.7124 53.0927 41.5938 175.1723 87 R 4.7037 7.5612 115.0971 54.3530 34.5269 175.6987 88 S 4.4160 8.4163 115.2597 58.3253 63.9594 173.9720 89 L 4.2270 8.0824 119.3019 54.9831 42.1202 176.5534 90 A 4.1950 8.7591 127.1244 52.0959 17.8638 176.2110 91 D 5.2769 10.5648 119.5276 53.8503 40.2101 175.3262 92 D 4.8401 8.9229 123.1863 53.9524 41.3262 175.6578 93 Y 4.7091 7.7879 116.2975 56.4700 40.6449 175.4536 94 D 4.6612 8.6565 120.5115 56.5720 42.0616 176.8031 95 Y 4.6058 8.2841 119.7007 55.6834 41.8421 174.3875 96 V 4.9467 8.0515 125.1775 61.6073 35.0160 174.0128 97 M 4.7045 8.8847 125.2597 53.6183 36.9113 173.2776 98 Y 4.6406 8.3016 121.6861 56.0643 41.8770 174.8592 99 G 3.9950 8.0013 112.0694 45.7509 0.0000 171.5154 100 T 4.8376 8.4993 115.2018 61.5267 72.1393 173.5072 101 A 4.9470 8.3012 125.7754 51.5599 19.4550 176.3540 102 Y 4.6432 8.0812 119.1667 57.6522 40.0348 176.2907 103 K 4.6484 6.9013 117.4682 53.9391 36.5961 175.3604 104 F 4.9566 8.7750 120.7417 55.7473 41.9159 173.8837 105 E 4.7141 8.9573 125.4295 54.1522 32.3004 174.6249 106 E 4.4129 8.8589 126.6165 55.5711 30.2611 177.2280 107 V 4.1409 7.9835 127.7498 63.1837 32.0977 176.5612 108 S 3.4916 8.9135 113.2807 59.0422 63.9544 171.3454 109 K 3.9068 8.4426 116.3109 57.1766 29.1418 176.3473 110 D 4.4936 8.9688 123.8594 54.8300 38.5724 172.9730 111 L 5.0259 7.6046 117.8856 53.9198 46.4525 175.2238 112 I 4.8797 8.3842 121.8959 59.9584 42.1613 173.7803 113 A 5.5960 8.6641 126.2489 49.2383 22.7789 175.4255 114 V 4.1697 7.6877 112.5448 59.3684 36.0313 174.1787 115 Y 5.4001 6.8156 118.8022 55.2661 41.0760 174.2952 116 Y 5.2526 8.3250 121.0971 56.0722 41.9180 174.5666 117 S 4.5858 9.2349 118.5002 56.3294 64.5332 173.7055 118 F 4.6504 7.5701 130.5543 55.5697 36.4487 176.4267 119 G 3.8792 8.9846 109.4485 46.8318 0.0000 171.5228 120 G 3.9572 8.1297 107.1104 45.2101 0.0000 174.1682 121 L 4.4089 7.9594 119.9428 54.2590 42.7848 176.8887 122 L 5.6474 9.7057 125.3817 53.2915 44.6041 175.3609 123 M 5.4011 8.3742 118.2703 54.3048 36.1946 173.1751 124 R 4.7373 9.2687 126.0973 54.3575 33.0045 173.9789 125 L 5.1485 8.1575 127.5033 53.1361 45.7384 174.5438 126 E 4.8987 8.4058 125.4509 53.8019 32.7850 173.9735 127 G 4.1601 8.5201 116.4166 45.9543 0.0000 174.2658 128 N 4.8347 7.7049 115.5515 54.7639 45.2116 176.0948 129 Y 4.3055 7.6611 115.8638 59.5503 38.2145 176.6694 130 R 4.6795 6.6502 119.5543 56.5710 30.0042 177.7402 131 N 4.3650 7.5168 116.6303 55.7392 38.6229 176.7863 132 L 4.3169 8.1148 117.0662 55.9336 41.7378 177.6375 133 N 5.0304 8.5557 116.1227 52.7825 41.0844 174.1962 134 N 5.0629 7.7668 114.7944 51.1120 38.7577 172.4597 135 L 3.9642 7.7896 120.4656 54.4245 43.0541 177.4431 136 K 3.8998 8.1829 116.5509 57.0415 31.7790 177.2293 137 Q 4.6844 8.0949 119.0085 54.3609 31.0538 175.9303 138 E 4.1523 8.6776 120.7236 59.1483 29.8384 178.0311 139 N 4.4409 8.1973 114.5339 52.3831 39.3577 174.3218 140 A 5.2810 7.6787 134.0963 52.6800 21.7206 175.7501 141 Y 4.8886 8.2179 119.7488 57.7476 40.9571 174.8739 142 L 4.7572 8.7435 122.4892 53.6982 45.4565 174.6547 143 L 4.8201 8.2695 125.0173 52.9725 44.3417 175.4170 144 I 5.2513 9.3604 125.6861 58.6130 39.6531 175.1474 145 R 4.8014 8.2508 121.4908 55.0122 33.4186 175.6180 146 R 4.2570 8.9921 118.4866 57.0573 30.8498 176.2671 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 2 S 8.33 4.38 0.00 4.00 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 3 N 7.52 4.21 0.00 2.89 2.86 0.00 0.00 7.31 6.82 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 4 T 8.61 4.29 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 1.31 0.00 0.00 5 L 7.92 4.78 0.00 1.70 1.86 1.02 0.85 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 6 F 7.90 4.83 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 7 D 6.09 4.30 0.00 2.52 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 0.00 0.00 0.00 0.00 8 D 8.15 4.40 0.00 2.61 2.41 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 9 I 7.65 4.69 1.82 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 1.38 0.99 0.93 0.00 0.00 10 F 9.86 5.05 0.00 3.10 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 11 Q 9.81 4.97 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.01 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 12 V 8.83 4.27 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 0.91 0.00 0.00 0.98 0.00 0.00 13 S 8.68 4.95 0.00 3.90 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 14 E 7.84 4.89 0.00 1.91 1.84 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 2.29 2.28 0.00 15 V 8.51 4.61 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 0.71 0.00 0.00 0.98 0.00 0.00 16 D 8.60 4.68 0.00 2.79 2.60 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 17 P 0.00 4.81 0.00 2.24 2.12 0.00 3.85 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 1.97 1.97 0.00 18 G 7.82 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 0.00 0.00 0.00 19 R 7.76 3.55 0.00 1.67 1.82 0.00 3.27 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 20 Y 7.20 5.06 0.00 3.04 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 21 N 8.98 4.79 0.00 2.75 2.89 0.00 0.00 6.94 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 22 K 7.95 4.40 0.00 1.71 1.84 0.00 1.60 0.00 0.00 1.93 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.73 1.45 7.81 23 V 7.78 4.92 1.67 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 0.70 0.00 0.00 0.79 0.00 0.00 24 C 8.78 5.21 0.00 3.07 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 25 R 8.64 5.11 0.00 1.99 1.84 0.00 3.11 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 26 I 9.39 4.64 2.03 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 1.10 0.74 0.89 0.00 0.00 27 E 8.94 5.12 0.00 2.09 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 2.21 2.29 0.00 28 A 8.58 5.36 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 29 A 9.18 5.20 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 30 S 8.06 4.57 0.00 3.46 3.67 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 31 T 7.67 3.55 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 32 T 9.05 3.45 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 1.15 0.00 0.00 33 Q 8.20 4.41 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 7.07 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 34 D 8.72 4.76 0.00 2.68 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 35 Q 7.98 4.60 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 36 C 8.26 5.65 0.00 3.03 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 37 K 8.56 5.04 0.00 2.05 1.92 0.00 1.51 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.46 7.81 38 L 8.93 4.98 0.00 1.41 1.47 0.74 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.60 5.63 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 1.28 0.00 0.00 40 L 8.33 5.49 0.00 1.72 1.42 1.20 1.36 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 41 D 8.81 5.57 0.00 2.67 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 42 I 9.29 4.47 1.88 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.16 0.90 0.00 0.00 43 N 9.52 5.66 0.00 2.83 2.87 0.00 0.00 6.70 8.57 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 44 V 8.23 4.01 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 0.80 0.00 0.00 0.98 0.00 0.00 45 E 8.18 4.20 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 2.29 2.34 0.00 46 L 8.14 4.20 0.00 2.02 1.74 0.81 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.24 4.86 0.00 3.25 3.63 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 48 P 0.00 4.20 0.00 1.90 1.88 0.00 3.53 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 1.96 2.17 0.00 49 V 8.09 3.89 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 0.78 0.00 0.00 0.84 0.00 0.00 50 A 8.33 4.38 1.27 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 0.00 0.00 51 A 8.21 4.16 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 52 Q 8.23 3.34 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.89 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 53 D 7.79 4.92 0.00 2.88 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 S 8.51 5.22 0.00 3.87 3.89 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 0.00 0.00 0.00 55 L 9.29 5.01 0.00 1.67 1.68 0.99 0.53 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 56 T 8.31 4.82 4.35 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 1.29 0.00 0.00 57 V 9.12 4.86 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.90 0.00 0.00 58 T 8.44 4.62 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 1.30 0.00 0.00 59 I 8.72 4.72 2.09 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 1.63 1.99 0.99 0.00 0.00 60 A 8.09 3.78 1.29 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 61 S 7.84 5.65 0.00 4.26 4.03 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 0.00 0.00 0.00 62 S 7.97 4.60 0.00 3.85 3.49 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 63 L 8.63 4.20 0.00 1.58 1.62 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.60 4.10 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 77 R 8.27 3.70 0.00 1.83 1.85 0.00 3.26 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 78 S 8.57 3.96 0.00 4.01 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 79 W 8.97 4.27 0.00 3.16 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 80 R 7.67 4.11 0.00 1.49 1.54 0.00 3.16 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 81 P 0.00 3.79 0.00 1.85 1.87 0.00 3.45 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 82 P 0.00 4.53 0.00 1.98 1.81 0.00 3.64 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 83 Q 9.00 3.92 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 84 A 7.67 4.22 1.22 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 0.00 0.00 85 G 8.03 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 86 D 7.61 4.95 0.00 2.56 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 87 R 7.56 4.70 0.00 1.83 1.73 0.00 3.21 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 88 S 8.42 4.42 0.00 3.98 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.08 4.23 0.00 1.97 1.81 0.98 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.76 4.20 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 91 D 10.56 5.28 0.00 2.94 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 92 D 8.92 4.84 0.00 2.29 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 93 Y 7.79 4.71 0.00 2.86 3.03 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 0.00 0.00 0.00 94 D 8.66 4.66 0.00 2.18 2.75 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 0.00 0.00 0.00 95 Y 8.28 4.61 0.00 2.40 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 0.00 0.00 0.00 96 V 8.05 4.95 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 0.88 0.00 0.00 0.87 0.00 0.00 97 M 8.88 4.70 0.00 1.44 0.73 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.12 0.00 98 Y 8.30 4.64 0.00 2.39 2.44 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 99 G 8.00 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 8.50 4.84 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 1.25 0.00 0.00 101 A 8.30 4.95 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 0.00 102 Y 8.08 4.64 0.00 2.85 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 K 6.90 4.65 0.00 1.37 1.75 0.00 1.65 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.30 7.81 104 F 8.77 4.96 0.00 2.78 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 0.00 105 E 8.96 4.71 0.00 2.11 1.72 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 2.21 2.29 0.00 106 E 8.86 4.41 0.00 1.90 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 2.31 2.25 0.00 107 V 7.98 4.14 2.06 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 0.79 0.00 0.00 0.89 0.00 0.00 108 S 8.91 3.49 0.00 4.15 4.04 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 0.00 109 K 8.44 3.91 0.00 2.06 1.92 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.41 7.81 110 D 8.97 4.49 0.00 2.92 2.80 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 0.00 111 L 7.60 5.03 0.00 1.70 1.50 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.38 4.88 1.79 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 1.13 0.56 0.84 0.00 0.00 113 A 8.66 5.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.69 4.17 1.24 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 0.85 0.00 0.00 0.47 0.00 0.00 115 Y 6.82 5.40 0.00 1.87 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 0.00 116 Y 8.32 5.25 0.00 2.60 1.77 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 0.00 117 S 9.23 4.59 0.00 3.49 3.50 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 0.00 0.00 0.00 0.00 118 F 7.57 4.65 0.00 2.98 2.99 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 0.00 0.00 0.00 0.00 119 G 8.98 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 0.00 0.00 0.00 0.00 120 G 8.13 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 0.00 121 L 7.96 4.41 0.00 1.82 1.88 1.04 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.71 5.65 0.00 1.64 1.79 0.94 0.08 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 0.00 123 M 8.37 5.40 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 124 R 9.27 4.74 0.00 1.90 1.71 0.00 3.14 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.44 0.00 125 L 8.16 5.15 0.00 1.60 1.15 0.90 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.41 4.90 0.00 1.97 1.69 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 2.14 2.15 0.00 127 G 8.52 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 0.00 128 N 7.70 4.83 0.00 2.91 2.82 0.00 0.00 6.68 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 0.00 129 Y 7.66 4.31 0.00 3.30 3.24 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 0.00 130 R 6.65 4.68 0.00 1.69 1.94 0.00 2.77 0.00 0.00 2.81 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.07 0.00 131 N 7.52 4.36 0.00 2.79 2.66 0.00 0.00 7.08 6.82 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 0.00 132 L 8.11 4.32 0.00 1.66 1.71 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.56 5.03 0.00 2.73 3.05 0.00 0.00 6.55 7.54 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 0.00 134 N 7.77 5.06 0.00 2.79 2.74 0.00 0.00 6.98 7.78 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 0.00 135 L 7.79 3.96 0.00 1.72 1.69 0.95 0.97 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 0.00 136 K 8.18 3.90 0.00 1.58 1.61 0.00 1.33 0.00 0.00 1.43 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.00 0.51 7.81 137 Q 8.09 4.68 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.23 6.92 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 138 E 8.68 4.15 0.00 2.07 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 2.37 2.33 0.00 139 N 8.20 4.44 0.00 2.82 2.90 0.00 0.00 6.75 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 0.00 140 A 7.68 5.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.22 4.89 0.00 3.04 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 0.00 142 L 8.74 4.76 0.00 1.58 0.84 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.27 4.82 0.00 0.82 0.18 0.78 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 144 I 9.36 5.25 1.52 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.80 0.79 0.00 0.00 145 R 8.25 4.80 0.00 1.79 2.13 0.00 2.71 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 146 R 8.99 4.26 0.00 2.02 1.98 0.00 3.16 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.