NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.4548 8.4444 120.3855 55.9376 31.6034 173.9131 *5 K 4.4425 8.0621 120.7854 56.3223 33.9708 177.3320 6 H 4.1376 7.9633 115.4506 59.0773 28.5630 177.7059 7 T 3.8477 7.8153 117.0014 66.7361 68.3809 176.3019 8 E 3.9586 8.1153 119.9170 59.4638 29.3110 179.0841 9 L 3.8776 7.8051 118.9150 57.6987 41.6185 179.4354 10 R 3.9257 8.3002 117.7307 59.4322 30.1424 178.6095 11 A 3.9336 8.2719 120.4029 55.4804 18.4186 179.3065 12 A 3.9015 7.9768 118.7222 55.5628 18.4147 180.1118 13 V 3.5370 7.5174 116.5074 66.0270 31.5244 178.3011 14 L 3.9935 8.2221 119.1261 57.7170 40.8957 179.3098 15 D 4.2553 8.5028 119.0541 57.3256 40.3744 178.5968 16 A 4.0171 7.7993 121.0125 55.0432 17.9773 179.7527 17 L 4.0570 7.9517 117.6050 57.8698 41.6553 178.8893 18 E 4.1402 7.7928 116.3507 57.4414 29.5402 178.5144 19 K 4.2424 7.3126 124.0634 59.6323 32.5635 182.5230 20 H 4.4431 7.6994 117.9611 58.7843 30.1045 173.6597 21 D 5.1511 7.6776 119.7351 54.4852 43.9500 176.1623 22 T 4.6158 8.4292 108.4895 61.8948 71.6358 169.8876 23 G 4.0593 9.7286 110.9515 47.2248 0.0000 173.9055 24 A 4.7695 8.1311 120.8399 50.6387 21.4906 176.0755 25 T 4.4223 8.0289 115.8503 62.2179 70.1858 174.2400 26 F 5.1212 8.8520 125.4052 56.2180 40.9594 175.3239 27 F 4.7671 9.6418 121.2994 55.8873 42.5881 174.0659 28 D 4.9098 8.7199 122.2723 51.6762 40.2951 174.9662 29 G 4.2166 8.5657 110.0209 43.3118 0.0000 171.3709 30 R 3.7801 7.8471 121.3314 54.8106 30.6934 174.0217 31 P 4.3363 0.0000 0.0000 61.0021 32.7171 175.1005 32 A 3.9861 7.9066 126.9027 55.2418 19.1426 178.6812 33 V 4.0264 7.0462 112.6991 59.9999 32.7679 177.6528 34 F 4.6743 8.4494 120.3266 55.0871 42.5854 174.0265 35 D 4.7943 8.1225 122.5451 53.0297 43.3542 176.9484 36 E 3.9928 9.1239 122.7199 59.2389 29.9220 175.8266 37 A 4.1368 8.1004 121.5002 55.0856 18.5545 178.6509 38 D 4.5297 8.4420 115.5195 56.4723 41.1085 177.4563 39 F 4.4913 7.1382 118.0048 56.7101 39.6409 172.9561 40 P 4.6442 0.0000 0.0000 62.5695 32.3528 174.8594 41 A 5.1161 8.6992 125.7853 50.0896 22.1594 175.4604 42 V 4.9273 8.7797 120.2350 61.1166 34.5909 174.0681 43 A 5.5050 9.6047 130.3255 50.2503 21.8382 175.0695 44 V 4.9646 8.6255 122.0583 61.3580 34.2579 174.1226 45 Y 5.1394 8.2606 124.5592 56.4101 41.8257 173.0943 46 L 5.5027 8.6713 119.2233 53.2927 44.6863 176.3090 47 T 4.6387 8.3422 110.7823 60.3575 72.7332 173.8607 48 G 4.0930 9.0362 109.1725 46.4815 0.0000 173.2951 49 A 4.8827 8.3301 121.6197 51.7071 19.0032 177.7486 50 E 4.7859 9.3893 120.1013 54.6353 33.7750 174.0234 51 Y 3.2101 7.3197 122.8417 57.3140 39.0019 175.3140 52 T 4.0398 8.0975 115.7046 61.1928 70.1145 174.2332 53 G 3.8817 5.3800 110.6056 45.0597 0.0000 174.9427 54 E 4.1242 7.9963 119.2506 57.5093 29.3425 176.9952 55 E 4.5869 7.7568 113.1829 55.9107 30.5449 179.9821 56 L 3.5478 8.1830 125.1462 56.7058 39.8397 171.9997 57 D 4.5318 8.6004 121.0731 51.5787 42.8016 175.7814 58 S 4.1980 8.9898 125.1510 59.4757 62.9830 171.3119 59 D 4.8952 9.0990 121.7514 53.4117 37.3838 170.5846 60 T 4.7728 7.8909 117.4176 64.4570 68.2751 174.2334 61 W 4.9326 9.1841 127.7930 55.1780 32.6750 174.8093 62 Q 5.0221 8.8051 120.5847 55.2230 32.3522 173.2281 63 A 5.0669 9.2153 126.3927 50.7590 24.1714 173.9916 64 E 4.9739 9.0364 120.1018 54.6248 31.5815 174.4961 65 L 4.6920 9.3629 130.8049 54.6116 43.6667 174.8383 66 H 5.1281 9.0541 124.1151 54.3891 31.6221 174.2948 67 I 4.8308 8.5068 122.4262 59.5572 39.3616 172.2165 68 E 4.8935 9.3160 127.3080 54.2227 32.0150 174.2072 69 V 4.6460 8.1065 126.7359 61.4806 33.8436 174.4229 70 F 5.1565 9.4577 126.5076 55.9499 42.3476 174.2643 71 L 4.3706 8.2981 120.4301 52.4710 46.8609 173.2699 72 P 4.0768 0.0000 0.0000 62.5118 31.8213 177.3569 73 A 3.9472 8.1681 125.3134 55.4638 18.1402 179.3914 74 Q 4.0003 8.1103 112.0908 58.8974 29.0943 177.4241 75 V 3.6584 7.1228 111.2489 60.8742 32.3801 174.2470 76 P 4.4893 0.0000 0.0000 61.9368 32.4619 176.9855 77 A 4.1090 8.5871 120.9990 55.6601 17.9609 180.3680 78 S 4.1318 8.0441 113.2386 61.6710 62.9858 176.0914 79 E 4.0106 8.1289 121.2858 59.6674 29.0737 179.4120 80 L 4.0815 7.9625 116.5144 58.2436 41.8925 178.8607 81 D 4.7644 8.3938 118.2308 56.7500 41.0406 178.5975 82 A 4.2273 8.7584 121.5295 54.7770 18.3511 180.3139 83 W 3.7552 8.3426 126.3545 58.8957 30.3825 178.0635 *85 E 4.4277 8.1665 115.3021 54.8466 31.4627 179.8904 86 S 4.5463 8.0350 111.4512 59.2394 64.0704 175.2299 87 R 4.2189 8.0647 118.5066 56.0691 30.9684 175.8195 88 I 4.3188 7.0859 116.4943 62.2734 39.5672 176.9695 89 Y 4.2018 8.2355 122.7785 60.4311 39.1354 176.4395 90 P 4.3632 0.0000 0.0000 66.0229 31.4103 178.3041 91 V 3.3378 7.4396 123.0412 63.5880 32.1729 178.5570 *93 S 4.2061 8.3065 118.2148 57.6219 64.2454 176.7158 94 D 4.6814 7.8501 118.1731 51.7023 41.8128 177.5682 95 I 4.5934 7.7167 126.1855 56.6306 38.3305 174.2762 96 P 4.5151 0.0000 0.0000 64.6834 31.2290 177.2226 97 A 3.9677 8.0224 117.7028 55.6450 18.2723 178.9606 98 L 3.9656 7.7644 118.3544 57.8121 42.5090 178.6944 99 S 3.8037 8.2296 114.1247 62.0173 62.5286 175.9186 100 D 4.5753 8.0614 119.5479 55.5478 40.6250 177.2687 101 L 4.5351 8.7300 120.3512 54.2659 43.1517 175.9609 102 I 4.5993 7.0419 110.4085 59.4740 39.8960 174.7455 103 T 4.6453 8.9091 110.0532 62.4837 70.7134 173.9162 104 S 4.5654 7.6356 115.4242 57.6118 66.9766 173.9038 *106 V 4.3258 8.1409 117.8285 61.3269 32.5032 175.0541 107 A 3.6737 8.9703 125.3809 53.1766 18.4240 175.1543 108 S 4.4332 8.8098 111.4522 58.5154 64.0461 174.8314 109 G 4.2677 8.6040 103.8442 44.9613 0.0000 170.0983 110 Y 4.8443 8.3589 120.0924 56.5221 40.9575 172.7670 111 D 5.1019 8.7663 126.9103 52.4802 44.4798 175.2305 112 Y 4.6292 8.6808 119.9713 57.0837 38.9114 175.2209 113 R 4.9251 8.8832 123.7965 54.4638 33.8478 175.0822 114 R 4.4759 8.0983 115.7760 54.7244 33.4123 175.1710 115 D 3.5047 7.3285 121.7016 53.0034 39.4848 176.8997 116 D 4.3374 8.2497 126.8407 56.3949 40.4476 177.4048 117 D 4.5615 8.2546 117.0615 55.7776 39.7608 179.5046 118 A 4.6116 7.6355 117.9841 50.0204 20.6269 175.6223 119 G 3.7008 8.2708 106.3516 47.0650 0.0000 175.5688 120 L 4.5734 8.3710 123.2707 55.3590 43.0707 178.5942 121 W 5.4185 7.2441 113.8405 54.9545 32.4743 174.0467 122 S 5.0112 9.2864 113.3170 57.1849 65.7397 172.7832 123 S 4.8551 9.7088 119.5394 57.0218 67.4061 172.2871 124 A 4.4914 8.2314 120.9114 50.0398 21.5192 174.6582 125 D 4.7323 9.0076 124.0750 52.8423 43.0665 174.8797 126 L 4.7834 8.1779 129.3211 53.8974 43.7604 175.2188 127 T 5.2276 8.7124 116.6926 60.1026 71.9048 172.6131 128 Y 5.1758 9.1061 121.0025 56.2717 42.3533 174.3422 129 V 4.8763 8.6946 122.2357 61.3229 33.3314 175.0048 130 I 5.7348 9.0619 120.6397 58.4070 41.3528 174.3075 131 T 5.2740 8.1787 112.0133 60.4835 72.3607 172.0576 132 Y 4.9232 7.8462 119.3171 56.8359 41.9618 174.1693 133 E 5.3082 8.9184 118.1101 56.1845 29.8482 176.4095 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 H 8.44 4.45 0.00 3.13 3.32 0.00 5.73 0.00 0.00 0.00 0.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *5 K 8.06 4.44 0.00 1.86 1.75 0.00 1.78 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.71 1.41 7.81 6 H 7.96 4.14 0.00 3.14 3.25 0.00 5.70 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 7 T 7.82 3.85 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 1.20 0.00 0.00 8 E 8.12 3.96 0.00 2.10 1.95 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 2.36 2.36 0.00 9 L 7.81 3.88 0.00 1.79 1.55 0.28 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.30 3.93 0.00 1.83 2.02 0.00 3.41 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 11 A 8.27 3.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 3.90 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 13 V 7.52 3.54 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 1.03 0.00 0.00 0.92 0.00 0.00 14 L 8.22 3.99 0.00 1.89 1.81 0.97 1.47 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 15 D 8.50 4.26 0.00 2.59 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 16 A 7.80 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.95 4.06 0.00 1.89 2.01 1.18 0.74 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 18 E 7.79 4.14 0.00 1.64 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 2.25 2.06 0.00 19 K 7.31 4.24 0.00 1.91 1.75 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.30 7.81 20 H 7.70 4.44 0.00 3.18 3.54 0.00 5.66 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.68 5.15 0.00 2.79 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 22 T 8.43 4.62 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 23 G 9.73 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.13 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.03 4.42 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 26 F 8.85 5.12 0.00 2.87 3.04 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 27 F 9.64 4.77 0.00 2.95 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 28 D 8.72 4.91 0.00 2.68 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 29 G 8.57 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 0.00 0.00 0.00 30 R 7.85 3.78 0.00 0.67 1.23 0.00 2.92 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.44 0.00 31 P 0.00 4.34 0.00 0.95 1.20 0.00 3.24 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 32 A 7.91 3.99 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 33 V 7.05 4.03 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 0.79 0.00 0.00 0.93 0.00 0.00 34 F 8.45 4.67 0.00 3.01 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 35 D 8.12 4.79 0.00 2.70 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 36 E 9.12 3.99 0.00 1.93 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 2.33 1.93 0.00 37 A 8.10 4.14 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 38 D 8.44 4.53 0.00 2.48 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 39 F 7.14 4.49 0.00 3.09 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 40 P 0.00 4.64 0.00 0.72 1.59 0.00 3.60 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 1.48 1.31 0.00 41 A 8.70 5.12 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 42 V 8.78 4.93 1.60 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 1.20 0.00 0.00 0.83 0.00 0.00 43 A 9.60 5.50 1.52 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 0.00 0.00 44 V 8.63 4.96 2.21 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 1.08 0.00 0.00 1.10 0.00 0.00 45 Y 8.26 5.14 0.00 3.14 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 46 L 8.67 5.50 0.00 1.52 1.61 0.63 0.77 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 T 8.34 4.64 4.37 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 1.36 0.00 0.00 48 G 9.04 4.09 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 0.00 0.00 0.00 49 A 8.33 4.88 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 50 E 9.39 4.79 0.00 1.90 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 2.41 2.18 0.00 51 Y 7.32 3.21 0.00 1.52 2.33 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 52 T 8.10 4.04 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 1.03 0.00 0.00 53 G 5.38 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 54 E 8.00 4.12 0.00 1.96 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 2.28 2.33 0.00 55 E 7.76 4.59 0.00 2.02 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 2.16 2.08 0.00 56 L 8.18 3.55 0.00 1.73 1.70 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.60 4.53 0.00 2.72 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 58 S 8.99 4.20 0.00 3.65 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 59 D 9.10 4.90 0.00 2.69 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 60 T 7.89 4.77 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 1.16 0.00 0.00 61 W 9.18 4.93 0.00 2.35 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 62 Q 8.81 5.02 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 63 A 9.22 5.07 1.46 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 0.00 0.00 0.00 64 E 9.04 4.97 0.00 2.14 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 2.14 2.23 0.00 65 L 9.36 4.69 0.00 1.80 1.62 0.88 0.99 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 66 H 9.05 5.13 0.00 1.53 2.50 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.51 4.83 1.97 0.00 0.00 1.00 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 1.30 1.04 0.00 0.00 68 E 9.32 4.89 0.00 2.22 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 1.47 1.88 0.00 69 V 8.11 4.65 1.95 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 0.64 0.00 0.00 1.01 0.00 0.00 70 F 9.46 5.16 0.00 2.69 2.54 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 71 L 8.30 4.37 0.00 1.38 1.28 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.08 0.00 1.93 1.85 0.00 3.38 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.78 0.00 73 A 8.17 3.95 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.11 4.00 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 75 V 7.12 3.66 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 0.77 0.00 0.00 0.97 0.00 0.00 76 P 0.00 4.49 0.00 2.21 2.16 0.00 3.72 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 2.08 1.96 0.00 77 A 8.59 4.11 1.16 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 78 S 8.04 4.13 0.00 3.90 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 E 8.13 4.01 0.00 2.27 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 2.40 2.41 0.00 80 L 7.96 4.08 0.00 1.95 1.80 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.39 4.76 0.00 2.90 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 82 A 8.76 4.23 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.34 3.76 0.00 3.65 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 *85 E 8.17 4.43 0.00 2.05 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 2.13 1.88 0.00 86 S 8.04 4.55 0.00 3.85 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 87 R 8.06 4.22 0.00 1.34 1.99 0.00 2.68 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.37 0.00 88 I 7.09 4.32 2.08 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 1.08 0.00 0.00 89 Y 8.24 4.20 0.00 2.95 3.10 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 90 P 0.00 4.36 0.00 2.23 2.21 0.00 3.91 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 91 V 7.44 3.34 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 0.89 0.00 0.00 0.94 0.00 0.00 *93 S 8.31 4.21 0.00 3.70 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 94 D 7.85 4.68 0.00 2.57 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 95 I 7.72 4.59 1.79 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 1.39 0.69 0.89 0.00 0.00 96 P 0.00 4.52 0.00 2.13 2.09 0.00 3.87 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 2.10 2.00 0.00 97 A 8.02 3.97 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 98 L 7.76 3.97 0.00 1.70 1.79 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.23 3.80 0.00 4.08 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 0.00 100 D 8.06 4.58 0.00 2.67 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 0.00 101 L 8.73 4.54 0.00 1.59 1.65 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.04 4.60 2.17 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 1.36 0.66 0.87 0.00 0.00 103 T 8.91 4.65 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 S 7.64 4.57 0.00 3.84 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 *106 V 8.14 4.33 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 0.80 0.00 0.00 0.98 0.00 0.00 107 A 8.97 3.67 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 0.00 108 S 8.81 4.43 0.00 3.83 3.69 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 0.00 109 G 8.60 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 0.00 0.00 0.00 0.00 110 Y 8.36 4.84 0.00 2.99 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.77 5.10 0.00 2.52 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.68 4.63 0.00 2.85 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 0.00 113 R 8.88 4.93 0.00 1.93 1.99 0.00 3.20 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 114 R 8.10 4.48 0.00 1.47 1.73 0.00 2.92 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.00 115 D 7.33 3.50 0.00 1.58 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 0.00 0.00 0.00 116 D 8.25 4.34 0.00 2.74 2.57 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 0.00 117 D 8.25 4.56 0.00 2.69 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 0.00 118 A 7.64 4.61 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 0.00 119 G 8.27 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 0.00 0.00 0.00 120 L 8.37 4.57 0.00 1.33 1.67 0.92 0.89 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 0.00 121 W 7.24 5.42 0.00 3.38 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 S 9.29 5.01 0.00 3.81 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 0.00 123 S 9.71 4.86 0.00 3.06 3.30 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 0.00 124 A 8.23 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 9.01 4.73 0.00 2.85 2.42 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 0.00 126 L 8.18 4.78 0.00 1.78 1.70 1.01 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.71 5.23 4.09 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 0.96 0.00 0.00 128 Y 9.11 5.18 0.00 2.89 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 0.00 129 V 8.69 4.88 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 0.85 0.00 0.00 0.97 0.00 0.00 130 I 9.06 5.73 2.01 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 1.21 0.47 0.95 0.00 0.00 131 T 8.18 5.27 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 1.24 0.00 0.00 132 Y 7.85 4.92 0.00 3.14 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 0.00 133 E 8.92 5.31 0.00 2.07 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 0.00 2.49 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.