NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 S 4.4993 8.1927 119.0284 58.1845 65.5445 173.1104 7 F 4.5164 8.1969 124.6204 55.8756 40.7656 171.8103 8 H 4.5247 8.4648 127.9490 54.8207 30.0959 177.1635 9 K 3.6520 8.4866 126.4056 56.5334 31.8078 173.7012 10 N 4.7148 7.8197 112.2077 53.5919 39.1892 173.9178 11 C 4.3602 7.7802 123.4513 58.4278 32.3892 174.8112 12 E 3.9874 8.7957 123.6662 58.8164 29.4488 174.9095 13 L 4.3020 7.6321 115.6282 55.9539 42.1444 177.2466 14 C 4.4221 7.7266 116.2035 60.8663 28.4887 174.3582 15 T 4.6979 7.6954 106.6855 61.2548 69.6011 173.6289 16 T 4.7078 7.7475 111.1924 59.5585 72.0297 173.9034 17 A 4.0027 8.6607 125.7882 54.7855 18.4581 179.1577 18 G 3.9591 8.0664 101.5559 44.6111 0.0000 173.6696 19 G 3.9178 7.2645 105.4779 44.4801 0.0000 171.0182 20 E 4.1678 8.0314 121.5915 55.9756 30.4411 176.6694 21 I 4.4392 8.4967 128.6004 61.6061 37.2512 175.7415 22 L 4.7058 9.1885 127.0990 55.3832 43.9069 176.5787 23 W 4.7302 7.9345 125.3718 56.8700 33.8115 173.1300 24 Q 4.8948 7.4675 123.0958 54.9325 32.8016 173.9516 25 D 4.2692 8.4513 119.1752 52.1701 42.1970 175.3438 26 A 3.9106 8.7160 120.4644 55.8027 18.6947 178.7744 27 L 4.4320 7.7881 115.5149 57.8030 43.5238 176.3449 28 C 5.3783 8.7750 112.1754 57.2649 33.6932 172.9470 29 R 5.2687 9.3164 114.9579 54.5062 33.0525 174.1249 30 V 5.0106 9.2628 120.3104 61.4000 34.1752 174.8181 31 V 5.0919 8.9326 120.3643 59.8001 36.1343 173.9833 32 H 4.9558 9.2713 124.2891 55.4815 31.1199 173.9632 33 V 4.2327 8.3842 126.7324 61.6266 32.4548 175.8490 34 E 4.1385 8.7294 128.2549 55.2436 28.5992 174.2848 35 N 4.9169 8.2338 122.3690 51.0787 40.6865 175.4824 36 Q 4.0838 8.8546 124.3103 58.7784 28.7886 177.0135 37 D 4.4645 8.3703 116.9926 55.1319 42.0516 176.4583 38 Y 4.8837 7.7014 116.6550 55.1946 38.5741 172.1301 39 P 4.6401 0.0000 0.0000 63.9169 32.4163 178.1032 40 G 3.9999 9.2754 109.7695 44.8945 0.0000 172.8768 41 F 4.4488 8.3834 123.1770 59.2174 40.2084 173.7992 42 C 5.6750 9.4422 123.4212 58.1674 32.1833 173.2809 43 R 5.3334 9.1618 119.0898 54.6134 34.3569 174.5811 44 V 4.8249 9.0472 123.1363 61.4684 33.6624 174.2832 45 I 4.9281 8.7060 129.4401 59.0667 39.8799 175.0926 46 L 4.3788 8.6013 129.9492 55.3650 42.0160 176.8663 47 N 4.7436 9.3108 124.2906 55.6816 39.0682 175.7173 48 R 4.5609 7.8488 113.6147 54.7149 32.0863 176.2601 49 H 4.0429 8.5967 120.7850 55.8014 29.8994 174.5656 50 V 4.3336 7.6533 125.3300 61.1631 34.6327 176.0639 51 K 4.1756 8.8213 128.2648 58.4605 33.7214 176.4855 52 E 4.5181 7.6538 118.6522 56.5426 29.5212 178.5033 *54 S 4.4969 8.6559 122.0354 58.8411 64.5243 174.4338 55 D 4.4922 7.8534 120.9226 56.6987 40.9382 177.0172 56 L 4.3009 7.6267 118.1736 53.7852 42.5908 176.8680 57 R 4.0398 8.2545 119.9602 55.7707 30.6812 176.3281 58 P 4.1863 0.0000 0.0000 65.8688 31.1221 178.5908 59 A 4.0518 7.9679 119.1786 55.1265 18.3422 179.3624 60 E 3.9872 8.5295 117.5609 59.3317 29.2874 179.6241 61 R 3.9397 7.9530 116.9787 59.3482 30.2877 178.0707 62 D 4.4315 7.8621 116.2056 57.5577 41.4593 177.4089 63 H 4.2911 8.5314 119.0622 59.0441 29.8723 177.9968 64 L 4.1137 8.0568 119.8677 55.7452 41.8460 178.3850 *66 L 4.2245 7.9109 119.1663 54.2924 43.8739 179.5325 67 V 3.1907 7.3371 117.4430 65.7373 31.3151 177.9680 68 V 3.3392 7.1857 118.0005 66.3205 31.0943 178.1212 69 F 4.4313 7.4095 116.3209 60.3487 38.7450 177.4453 70 A 3.9150 7.9465 120.7706 54.9844 18.1171 179.9097 71 V 3.4610 7.9032 116.9895 65.8600 31.6087 177.6728 72 E 3.8878 8.3732 119.3635 59.5833 29.4832 178.6162 73 E 3.9243 8.3856 118.2587 59.5018 29.4554 179.3887 74 A 3.9877 8.1718 120.7478 55.0903 18.2122 179.9189 75 V 3.5512 8.1114 116.2591 66.0284 31.5301 178.0974 76 R 4.0438 8.5589 118.2030 59.3580 29.7339 178.6830 77 E 4.0323 8.0360 117.5983 59.0686 29.7099 178.0804 78 V 3.9079 7.5968 115.3564 63.2191 32.7025 176.4841 *80 R 4.3139 7.8991 114.2444 55.7101 30.8657 173.1126 81 P 3.7165 0.0000 0.0000 61.9647 32.8812 176.8193 82 D 4.4528 7.7237 119.2296 56.9970 41.3943 176.8777 83 K 4.5526 7.4700 117.4326 55.1995 35.8095 174.4424 84 I 4.7643 8.2513 126.2738 60.0028 39.0193 174.6151 85 N 5.0533 8.9893 123.9607 51.4104 41.1716 173.5062 86 L 5.5536 8.6517 122.7432 53.0805 44.5148 175.7478 87 A 4.7213 9.2599 123.9485 50.6873 23.2797 175.0112 88 S 4.0255 7.8152 115.5728 55.7963 63.2116 172.2322 89 L 4.1181 8.3128 125.8372 52.5990 44.0455 177.8887 90 G 3.8678 7.7252 103.4054 46.6870 0.0000 174.1896 91 N 4.4311 7.2858 109.9616 54.2573 37.9774 175.9483 *93 T 4.0876 7.6537 116.2698 63.0204 68.3661 171.0371 94 P 4.7424 0.0000 0.0000 60.4918 29.8996 174.2685 95 H 4.7346 7.7659 121.5974 55.1632 32.7678 172.9161 96 V 3.7083 8.3399 127.9103 64.1635 32.2092 174.4467 97 H 5.3719 8.3736 120.8102 54.4575 31.8747 172.1427 98 W 4.7752 9.4072 120.8857 55.3012 31.9087 174.6068 99 H 5.2431 9.4670 122.9320 55.4078 30.1811 174.7182 100 V 4.4966 9.1871 122.7045 61.3677 34.1196 173.9637 101 I 4.4758 8.6038 130.0708 58.4652 39.8518 173.2266 102 P 4.6477 0.0000 0.0000 62.3213 32.3045 175.6696 103 R 4.9653 8.9681 123.6385 54.3701 33.1917 175.1562 104 F 5.0438 9.2725 120.1543 55.3216 42.4621 176.7913 105 K 2.9237 9.1990 121.1702 58.4715 31.9254 178.3352 106 R 4.6457 7.6649 117.0016 55.5825 30.7021 175.4481 107 D 4.6454 7.9352 118.1201 52.5660 40.4761 175.9167 108 R 4.1278 8.5375 118.9040 59.2613 29.9683 177.1353 109 H 4.9724 8.2856 111.2684 55.4651 30.7628 174.0786 110 F 4.2287 8.5802 122.5059 57.8728 39.5667 172.5371 111 P 3.1321 0.0000 0.0000 62.2429 31.2741 175.6773 112 N 4.5013 7.8971 116.7061 53.0401 39.2034 174.9188 113 S 4.2280 8.2048 114.4800 58.0845 63.7489 175.6504 114 V 3.1703 7.0699 113.3544 63.0061 31.1983 177.4318 115 W 4.5531 7.0150 117.3943 57.1925 29.8225 177.0746 116 G 4.1861 7.4198 109.8497 44.6791 0.0000 172.9530 117 E 4.2350 8.6498 120.7915 56.0147 30.2719 176.8936 118 T 3.9241 8.5391 120.2116 63.9673 69.0666 174.1072 119 K 4.4629 8.9032 125.1483 57.2331 34.0606 176.2704 120 R 4.5680 7.4986 114.6254 55.2029 32.0783 174.6856 121 E 4.1765 8.4845 115.0917 55.7649 30.2809 176.0336 122 S 4.6576 8.3967 119.5805 56.6216 65.8491 174.6088 123 L 4.7569 7.9967 125.4800 51.6645 41.3029 172.9133 124 P 4.3508 0.0000 0.0000 62.6182 32.5565 177.9911 125 Q 4.0446 8.3796 119.3290 54.4585 28.5662 176.1095 126 A 4.2963 8.3969 126.1650 50.7979 19.1686 176.9857 127 L 4.1260 8.2772 120.3114 54.6221 42.4607 177.9872 128 D 4.7458 8.5810 125.3362 53.3672 41.8613 178.0433 129 Q 4.1450 8.6777 121.5437 60.3987 27.8820 178.9315 130 G 3.9392 8.1333 107.0575 48.0408 0.0000 175.8235 131 S 4.1655 7.8868 117.0997 61.5134 62.9781 176.7206 132 T 3.8474 7.9633 118.4507 66.8714 68.1155 176.8239 133 T 3.8416 8.4427 117.7905 66.5266 68.4116 176.2643 134 A 4.0089 8.2937 123.0006 55.3428 18.2894 179.6144 135 L 3.9363 8.0866 117.2545 57.8834 41.6414 179.8401 136 K 4.0548 8.1509 120.7167 60.1114 31.9859 180.0098 137 K 3.9662 8.4266 123.9002 59.9654 31.1545 180.7914 138 A 4.1846 8.3338 122.6585 54.8684 18.3041 179.8927 139 I 3.3980 8.1005 118.7718 64.4477 37.1869 178.6032 140 S 4.2122 8.3495 114.2038 61.5974 62.0695 176.6104 141 V 3.8919 7.8675 113.9699 64.2165 31.2712 178.1461 142 R 4.2004 7.3579 116.3471 57.5050 30.2830 177.7229 143 L 4.5007 7.4440 116.3227 54.9000 43.3399 176.1639 144 D 4.6909 8.5982 123.0954 54.4331 40.9708 176.0952 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 *6 S 8.19 4.50 0.00 3.44 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 7 F 8.20 4.52 0.00 2.99 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 8 H 8.46 4.52 0.00 2.84 2.99 0.00 5.69 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.49 3.65 0.00 1.77 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.03 7.81 10 N 7.82 4.71 0.00 2.63 2.82 0.00 0.00 6.83 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 11 C 7.78 4.36 0.00 2.89 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 12 E 8.80 3.99 0.00 1.93 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 2.32 1.91 0.00 13 L 7.63 4.30 0.00 1.23 1.35 0.58 0.76 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 14 C 7.73 4.42 0.00 2.90 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 15 T 7.70 4.70 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 1.10 0.00 0.00 16 T 7.75 4.71 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 17 A 8.66 4.00 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 18 G 8.07 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 19 G 7.26 3.92 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 0.00 20 E 8.03 4.17 0.00 2.16 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 2.36 2.33 0.00 21 I 8.50 4.44 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 1.39 0.68 1.00 0.00 0.00 22 L 9.19 4.71 0.00 1.61 1.81 1.01 0.22 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 23 W 7.93 4.73 0.00 3.38 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 24 Q 7.47 4.89 0.00 1.63 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.48 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 25 D 8.45 4.27 0.00 2.63 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 0.00 0.00 0.00 0.00 26 A 8.72 3.91 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 27 L 7.79 4.43 0.00 1.89 1.91 0.96 0.97 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 28 C 8.77 5.38 0.00 3.29 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 29 R 9.32 5.27 0.00 1.90 2.06 0.00 2.76 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 30 V 9.26 5.01 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 1.07 0.00 0.00 1.07 0.00 0.00 31 V 8.93 5.09 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 0.79 0.00 0.00 1.06 0.00 0.00 32 H 9.27 4.96 0.00 3.27 3.24 0.00 5.59 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.38 4.23 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 0.46 0.00 0.00 0.85 0.00 0.00 34 E 8.73 4.14 0.00 1.97 1.91 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 2.32 2.27 0.00 35 N 8.23 4.92 0.00 2.58 2.97 0.00 0.00 6.84 6.71 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 36 Q 8.85 4.08 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 37 D 8.37 4.46 0.00 2.68 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 0.00 0.00 0.00 0.00 38 Y 7.70 4.88 0.00 3.35 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 39 P 0.00 4.64 0.00 2.26 2.13 0.00 3.87 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 40 G 9.28 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 0.00 0.00 0.00 41 F 8.38 4.45 0.00 3.47 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 42 C 9.44 5.68 0.00 3.02 2.96 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 43 R 9.16 5.33 0.00 1.82 1.90 0.00 3.14 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.90 0.00 44 V 9.05 4.82 2.22 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 0.98 0.00 0.00 0.96 0.00 0.00 45 I 8.71 4.93 1.94 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 1.14 0.78 0.91 0.00 0.00 46 L 8.60 4.38 0.00 1.75 1.63 1.04 1.17 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 47 N 9.31 4.74 0.00 2.78 2.91 0.00 0.00 6.94 7.77 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 48 R 7.85 4.56 0.00 1.84 1.95 0.00 3.05 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 49 H 8.60 4.04 0.00 3.21 3.18 0.00 5.89 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.65 4.33 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 0.93 0.00 0.00 0.90 0.00 0.00 51 K 8.82 4.18 0.00 1.71 1.95 0.00 1.58 0.00 0.00 2.34 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.37 7.81 52 E 7.65 4.52 0.00 1.98 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 2.17 2.31 0.00 *54 S 8.66 4.50 0.00 4.01 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 55 D 7.85 4.49 0.00 2.91 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 56 L 7.63 4.30 0.00 1.67 1.62 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.25 4.04 0.00 1.94 1.87 0.00 3.17 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 58 P 0.00 4.19 0.00 2.16 2.16 0.00 3.61 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 59 A 7.97 4.05 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 60 E 8.53 3.99 0.00 2.19 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 2.35 2.36 0.00 61 R 7.95 3.94 0.00 1.93 2.02 0.00 3.24 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 62 D 7.86 4.43 0.00 2.78 2.89 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 63 H 8.53 4.29 0.00 3.32 3.45 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.06 4.11 0.00 1.91 1.73 1.01 0.73 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 L 7.91 4.22 0.00 1.79 1.66 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.34 3.19 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 0.89 0.00 0.00 0.79 0.00 0.00 68 V 7.19 3.34 1.10 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 0.53 0.00 0.00 0.29 0.00 0.00 69 F 7.41 4.43 0.00 3.01 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 70 A 7.95 3.92 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 71 V 7.90 3.46 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 0.93 0.00 0.00 0.94 0.00 0.00 72 E 8.37 3.89 0.00 2.11 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 0.00 2.31 2.36 0.00 73 E 8.39 3.92 0.00 2.19 1.96 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 2.30 2.48 0.00 74 A 8.17 3.99 1.37 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 0.00 0.00 75 V 8.11 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 0.88 0.00 0.00 1.08 0.00 0.00 76 R 8.56 4.04 0.00 1.98 1.95 0.00 3.14 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 77 E 8.04 4.03 0.00 2.02 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 0.00 2.33 2.31 0.00 78 V 7.60 3.91 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 0.97 0.00 0.00 0.99 0.00 0.00 *80 R 7.90 4.31 0.00 1.96 1.99 0.00 3.31 0.00 0.00 3.93 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 81 P 0.00 3.72 0.00 1.99 1.61 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 1.84 1.86 0.00 82 D 7.72 4.45 0.00 2.35 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 83 K 7.47 4.55 0.00 1.90 1.67 0.00 1.59 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.50 1.55 7.81 84 I 8.25 4.76 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.95 0.97 0.00 0.00 85 N 8.99 5.05 0.00 2.44 2.66 0.00 0.00 6.59 6.80 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 86 L 8.65 5.55 0.00 1.71 1.83 1.08 0.81 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 87 A 9.26 4.72 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 88 S 7.82 4.03 0.00 2.72 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 89 L 8.31 4.12 0.00 1.43 1.22 -0.21 0.65 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 90 G 7.73 3.87 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 0.00 91 N 7.29 4.43 0.00 2.68 2.78 0.00 0.00 6.84 7.42 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 *93 T 7.65 4.09 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 1.17 0.00 0.00 94 P 0.00 4.74 0.00 2.18 2.26 0.00 3.87 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.90 0.00 95 H 7.77 4.73 0.00 2.96 3.10 0.00 5.77 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.34 3.71 2.09 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 0.96 0.00 0.00 0.97 0.00 0.00 97 H 8.37 5.37 0.00 3.29 3.30 0.00 5.46 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 W 9.41 4.78 0.00 3.25 3.17 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 99 H 9.47 5.24 0.00 3.26 3.37 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 9.19 4.50 2.16 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 0.99 0.00 0.00 1.00 0.00 0.00 101 I 8.60 4.48 1.40 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.14 0.14 0.00 0.00 102 P 0.00 4.65 0.00 2.06 2.04 0.00 3.74 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 2.27 2.10 0.00 103 R 8.97 4.97 0.00 1.79 2.04 0.00 3.02 0.00 0.00 2.92 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.80 0.00 104 F 9.27 5.04 0.00 2.91 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 0.00 105 K 9.20 2.92 0.00 1.55 1.70 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.07 0.88 7.81 106 R 7.66 4.65 0.00 1.74 1.89 0.00 3.20 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 107 D 7.94 4.65 0.00 2.84 2.95 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 0.00 108 R 8.54 4.13 0.00 1.73 1.93 0.00 3.13 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.57 0.00 109 H 8.29 4.97 0.00 3.41 3.41 0.00 5.87 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.58 4.23 0.00 3.41 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 0.00 111 P 0.00 3.13 0.00 1.81 1.58 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.90 0.00 112 N 7.90 4.50 0.00 2.92 2.80 0.00 0.00 6.89 7.73 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 0.00 113 S 8.20 4.23 0.00 4.02 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 0.00 114 V 7.07 3.17 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 -0.48 0.00 0.00 -0.54 0.00 0.00 115 W 7.01 4.55 0.00 3.53 3.12 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 0.00 116 G 7.42 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 0.00 0.00 0.00 0.00 117 E 8.65 4.23 0.00 2.01 1.93 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 2.35 2.36 0.00 118 T 8.54 3.92 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 1.20 0.00 0.00 119 K 8.90 4.46 0.00 1.72 1.87 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.76 7.81 120 R 7.50 4.57 0.00 1.87 1.88 0.00 3.24 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 121 E 8.48 4.18 0.00 2.01 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 2.23 1.86 0.00 122 S 8.40 4.66 0.00 3.70 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 0.00 123 L 8.00 4.76 0.00 1.64 1.39 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.35 0.00 2.07 1.92 0.00 3.63 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.90 0.00 125 Q 8.38 4.04 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.06 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 126 A 8.40 4.30 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 0.00 127 L 8.28 4.13 0.00 1.67 1.62 0.80 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.58 4.75 0.00 3.00 2.81 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 0.00 129 Q 8.68 4.14 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.01 0.00 130 G 8.13 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 0.00 0.00 0.00 131 S 7.89 4.17 0.00 4.00 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 0.00 132 T 7.96 3.85 4.38 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 1.33 0.00 0.00 133 T 8.44 3.84 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 0.00 134 A 8.29 4.01 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 0.00 135 L 8.09 3.94 0.00 1.92 1.76 0.93 0.89 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 0.00 136 K 8.15 4.05 0.00 2.06 1.94 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.70 7.81 137 K 8.43 3.97 0.00 1.73 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.34 7.81 138 A 8.33 4.18 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 0.00 139 I 8.10 3.40 1.96 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 1.31 0.95 0.48 0.00 0.00 140 S 8.35 4.21 0.00 4.10 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 0.00 141 V 7.87 3.89 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 0.88 0.00 0.00 1.02 0.00 0.00 142 R 7.36 4.20 0.00 1.63 1.89 0.00 3.17 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 143 L 7.44 4.50 0.00 1.17 1.45 -0.59 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.60 4.69 0.00 2.84 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 * Residues marked with a * may have inaccurate shift predictions.