NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4169 8.3049 120.3509 55.5064 34.3768 175.3246 2 I 3.7203 7.4086 119.9271 60.3416 38.2822 175.5404 3 R 4.1602 9.1913 125.0799 55.4485 32.8592 175.7635 4 P 4.2878 0.0000 0.0000 65.8693 31.4961 178.7945 5 E 3.8956 8.2178 115.8335 59.7543 29.2914 178.7880 6 Y 3.8085 8.0080 117.1271 60.4453 38.0129 177.5712 7 L 3.9624 7.9641 121.1983 58.2574 41.9490 179.3361 8 R 3.8951 8.0285 117.3139 59.1867 30.0562 178.9229 9 V 3.5997 7.3774 116.7907 65.6685 31.7391 177.3583 10 L 4.1752 8.2205 120.5519 58.0621 41.8158 180.1786 11 R 4.3044 8.0861 117.7971 56.4510 30.1318 178.4001 *13 I 4.1677 7.7342 118.3561 61.1498 39.1274 177.3447 14 Y 4.3346 8.4853 119.9393 60.9160 38.6996 177.3017 15 D 4.4265 8.4280 118.4993 57.2067 40.9957 177.9376 16 R 3.9524 7.8928 116.3760 57.6261 31.2580 176.9993 17 L 4.2597 7.2613 120.2806 53.7036 40.3995 177.0166 *19 N 4.6734 7.7239 110.5817 53.0273 41.7829 175.1981 20 E 4.4013 7.5979 119.3018 56.4034 29.1062 179.6090 *22 V 3.8116 8.4940 126.6337 63.6369 31.8875 173.5607 23 N 5.0436 8.7467 124.8886 52.2511 39.3264 174.0159 24 W 5.5623 8.6078 120.1022 55.0806 31.8134 174.8001 25 V 4.3589 8.8146 113.2091 59.6347 35.8814 174.7310 26 V 4.4541 8.6390 124.8363 63.0932 32.6820 175.0165 27 T 4.4646 8.2471 116.7911 60.5538 72.3864 174.8186 28 G 3.4552 8.8798 109.1062 45.5403 0.0000 174.7314 29 S 3.8492 8.3377 112.7728 61.6250 62.7053 176.3539 30 L 3.8878 7.5673 123.3145 57.6072 41.8947 178.6300 31 S 4.0004 7.6947 112.6739 61.3211 62.3127 175.9669 32 F 4.2633 7.7320 120.1617 60.6192 38.6813 177.5200 33 A 4.3362 8.0453 121.7558 54.7209 17.9508 179.6082 34 L 3.9774 8.0203 116.7433 57.6702 41.7286 178.8244 35 Q 4.4209 7.5860 115.3317 55.6807 28.9694 176.5854 36 G 4.0308 7.8934 108.7104 44.9438 0.0000 174.0251 37 V 2.6585 7.3775 121.4331 61.0316 32.1365 174.6087 38 P 4.7844 0.0000 0.0000 61.7731 29.7251 175.6216 39 V 4.3003 7.1662 117.3199 60.6725 34.2991 176.6698 40 E 4.0092 8.4238 118.0388 55.6181 30.2684 177.5747 41 V 3.9014 7.7042 122.3665 60.1279 32.0942 174.9305 42 H 4.6138 8.1207 124.2687 54.8673 30.5193 174.0045 43 D 4.8929 9.4574 124.7428 53.7180 40.4560 173.4454 44 I 4.7035 7.9509 118.8316 59.7670 40.9764 174.4864 45 D 5.3591 8.7115 125.5574 52.5631 43.8792 174.8760 46 I 5.0406 8.8879 124.7047 59.5638 40.1120 174.3120 47 Q 5.1713 9.0847 128.6459 55.1883 31.8323 174.4609 48 T 5.2908 8.8659 118.4223 61.9933 71.5834 171.2966 49 D 5.6372 8.4473 121.1896 51.4811 42.5012 176.9672 50 E 3.8800 9.0904 117.6491 59.7137 29.5868 178.2931 51 E 4.2446 8.3143 118.9720 59.3072 29.7510 178.8042 52 G 4.1119 8.9630 107.0390 47.0939 0.0000 175.5746 53 A 3.9175 7.9726 122.9780 55.3663 18.3893 179.4320 54 Y 4.0291 7.5006 114.2433 60.9787 37.7977 178.4756 55 E 4.0068 8.4209 119.7413 59.4432 29.6035 179.3393 56 I 3.7822 8.2170 120.2780 64.3516 36.7072 177.9347 57 E 3.9687 8.1631 120.1388 59.3536 29.1996 178.8952 58 R 3.9116 7.7894 117.3161 59.6830 30.2873 178.3372 59 I 3.7276 7.9640 118.4868 63.1053 37.2750 176.7176 60 F 5.0505 8.2290 118.9903 56.7799 39.6845 178.0928 61 S 4.3191 8.5348 117.4635 60.7895 62.8581 175.6871 62 E 3.9802 7.9507 116.5730 57.5512 29.6958 176.9646 63 F 4.7139 8.1380 118.3736 57.1221 39.7032 175.6143 64 V 4.0518 7.5548 122.6224 63.1477 31.4927 175.6041 65 S 4.5540 8.6734 121.3038 58.7116 64.0685 174.2613 *68 V 3.9105 7.5833 120.2282 63.0008 32.1778 174.3077 69 R 4.9314 8.8000 126.4518 54.5361 34.1084 173.6966 70 F 4.5592 9.0518 127.5145 58.8365 40.0846 174.4481 71 S 4.4740 8.0815 121.3131 56.8729 67.3468 173.2302 72 S 4.7618 8.3077 117.0103 56.5882 65.4962 173.3514 73 T 4.7913 8.2758 116.6778 60.2017 70.9340 174.9186 74 E 4.2562 8.6102 122.1423 57.6029 29.1564 176.2498 *76 I 4.6578 7.5612 119.0632 61.3393 39.5275 173.9241 77 C 5.1613 8.8584 121.6763 57.0055 33.4975 172.5782 78 S 4.8959 7.8397 113.0532 58.2805 66.8106 174.8097 79 H 4.9901 9.1257 118.6453 55.1602 29.1703 174.1492 80 F 5.2010 9.1677 126.9873 56.3036 42.0435 174.6182 81 G 4.1871 7.8078 111.7184 45.1364 0.0000 170.4138 82 E 5.0398 8.2690 118.5263 54.5036 33.1160 174.1712 83 L 5.2646 8.8346 125.6581 52.9940 45.1398 175.9152 84 I 4.6831 8.6319 121.5860 59.7205 39.9674 175.3585 85 I 4.2298 8.4913 128.3060 60.2729 39.1714 175.6371 86 D 4.3498 9.9039 127.0881 55.3843 38.2689 175.0181 87 G 3.9744 8.3520 104.6831 45.6779 0.0000 174.5338 88 I 4.1688 7.2542 122.4683 60.1428 38.3954 174.8435 *90 V 4.1931 8.1283 123.9100 63.9594 32.7928 175.3058 91 E 4.7389 9.0564 128.6943 55.3372 31.5361 175.3731 92 I 4.7371 8.2439 125.3264 59.8797 39.7975 174.6486 93 M 5.0782 9.0690 126.3216 53.7085 35.5269 174.3899 94 G 4.2295 9.3216 112.6143 45.0289 0.0000 172.5700 95 D 4.5415 8.8983 125.2326 55.1984 38.6010 173.8202 96 I 4.2358 7.4252 119.5782 62.2820 38.9751 177.5008 97 R 5.0048 8.8469 124.8867 54.6626 34.5654 173.6268 *99 R 3.6520 8.4603 118.4205 56.7504 30.8803 176.1607 100 L 4.4786 8.4316 125.8648 53.1065 43.3647 177.5818 101 E 3.8470 8.6173 119.7047 59.4569 29.3638 178.0345 102 D 4.5165 7.9805 115.3733 53.1167 39.7444 177.1971 103 G 3.7268 8.0722 109.0173 45.4235 0.0000 173.8648 104 T 4.2952 7.9759 110.6193 61.1553 70.7620 173.2142 105 W 5.1440 8.4985 121.4063 54.5062 31.1458 176.2921 106 E 4.3478 9.0150 122.1004 56.1359 30.0402 176.5435 107 D 4.6226 8.6629 120.6335 53.6006 41.6281 174.9653 108 P 4.7786 0.0000 0.0000 61.6843 32.0287 177.0278 109 V 3.7646 8.2236 120.9491 61.7207 31.8272 175.8801 110 D 4.5623 8.5850 121.7731 53.5270 40.2997 175.7686 111 L 4.1371 8.5140 127.8795 57.9074 41.9149 179.9595 112 N 4.4987 7.7148 117.2020 53.0409 37.6390 175.6670 *114 Y 4.2286 7.6790 114.3861 57.7545 38.6926 174.0797 *116 R 4.2688 7.3804 119.5587 55.8081 32.1085 174.9083 117 F 5.2785 8.4850 116.0571 55.6860 42.3554 174.8892 118 V 4.4224 8.7316 123.3494 61.0994 33.4194 174.6065 119 E 4.6495 8.8275 127.7331 55.8280 30.5149 176.0984 120 T 4.4549 8.9886 119.1343 62.2475 70.6557 173.1521 121 H 4.0878 9.8582 125.5492 56.9446 26.3528 175.8200 122 G 4.0347 8.5319 105.5046 45.8193 0.0000 174.8754 123 M 4.1681 7.7399 121.3008 54.3885 32.6480 174.7925 *125 I 4.2806 8.1139 122.9154 61.5056 39.1894 173.3358 126 P 4.4918 0.0000 0.0000 62.5819 32.4699 175.6692 127 V 4.9309 8.2598 116.0578 58.3167 35.9895 174.3952 128 L 4.4529 7.7075 124.4692 53.4573 43.5205 176.1402 129 S 4.0616 8.8388 120.0460 59.3901 62.7934 175.4079 130 L 4.0658 8.9214 126.8842 57.8900 41.4862 179.3430 131 E 4.0383 8.2283 118.1748 59.4874 29.4592 178.5190 132 Y 3.8118 8.0550 119.4864 60.8232 38.8211 178.1129 133 E 3.8618 8.3879 119.4579 59.2308 29.4738 178.5457 134 Y 3.9489 8.2012 120.0392 60.9972 38.6261 178.4805 135 Q 3.5693 7.7692 117.0008 58.6376 28.8140 178.3123 136 A 3.9666 7.5076 120.9426 55.2926 18.6982 178.9044 137 Y 4.3290 8.4056 115.6761 61.0765 37.9196 179.7805 138 L 4.0380 7.4905 118.0329 55.0663 41.6929 178.8202 *140 L 4.1387 7.9691 118.4787 53.6564 43.4045 177.9241 141 G 3.8301 7.9710 106.4192 46.0799 0.0000 175.3734 142 R 4.2119 7.5652 119.9647 54.8015 28.7348 176.6679 143 V 3.7429 7.5389 121.4430 65.8184 32.5171 178.1994 144 E 4.0651 8.1274 116.9068 56.8244 29.0964 177.8690 *146 A 4.4650 8.1510 121.6151 51.9045 20.3573 179.8428 147 E 4.1260 8.6548 114.4117 59.5578 29.4402 179.4432 148 T 4.0524 8.0210 115.5915 66.5748 68.7457 176.2709 149 L 4.0384 7.7870 120.3242 57.5886 41.5991 180.4205 150 R 3.7592 8.0468 116.6073 56.3849 29.3382 177.8858 *152 W 4.6463 7.9818 128.4657 56.8624 32.5693 177.1836 153 L 3.9797 8.4408 118.4532 57.8771 41.2433 179.2975 154 N 4.2601 8.2815 115.4540 56.2223 38.4866 176.3154 155 E 4.0061 7.4518 114.9770 58.0481 29.9095 177.0656 156 R 3.8218 6.9760 122.7687 56.2064 30.0450 176.1513 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 1 M 8.30 4.42 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 2 I 7.41 3.72 1.87 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 1.35 0.72 0.93 0.00 0.00 3 R 9.19 4.16 0.00 2.00 2.09 0.00 3.14 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 4 P 0.00 4.29 0.00 2.16 2.12 0.00 3.63 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 2.13 2.17 0.00 5 E 8.22 3.90 0.00 2.01 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 2.43 2.30 0.00 6 Y 8.01 3.81 0.00 3.23 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 7 L 7.96 3.96 0.00 1.78 1.80 0.84 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.03 3.90 0.00 1.91 1.94 0.00 3.21 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 9 V 7.38 3.60 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 0.59 0.00 0.00 0.80 0.00 0.00 10 L 8.22 4.18 0.00 1.90 1.87 1.08 0.94 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 11 R 8.09 4.30 0.00 2.00 2.13 0.00 3.62 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 *13 I 7.73 4.17 1.96 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.85 0.51 0.00 0.00 14 Y 8.49 4.33 0.00 3.12 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.43 4.43 0.00 2.83 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 16 R 7.89 3.95 0.00 1.39 1.41 0.00 2.42 0.00 0.00 2.85 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 17 L 7.26 4.26 0.00 1.22 1.17 -0.41 0.25 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 *19 N 7.72 4.67 0.00 2.68 2.85 0.00 0.00 7.09 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 20 E 7.60 4.40 0.00 1.91 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 2.21 2.33 0.00 *22 V 8.49 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 0.89 0.00 0.00 0.95 0.00 0.00 23 N 8.75 5.04 0.00 2.77 2.82 0.00 0.00 6.62 7.68 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 24 W 8.61 5.56 0.00 3.42 2.98 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 25 V 8.81 4.36 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 0.49 0.00 0.00 0.96 0.00 0.00 26 V 8.64 4.45 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 0.97 0.00 0.00 1.14 0.00 0.00 27 T 8.25 4.46 4.39 0.00 0.00 0.00 0.00 0.00 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 28 G 8.88 3.46 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 0.00 29 S 8.34 3.85 0.00 4.10 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 30 L 7.57 3.89 0.00 1.70 1.63 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.69 4.00 0.00 3.84 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.73 4.26 0.00 3.05 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.05 4.34 1.25 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 0.00 0.00 34 L 8.02 3.98 0.00 1.75 1.73 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.59 4.42 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.50 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 36 G 7.89 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 0.00 0.00 0.00 37 V 7.38 2.66 1.73 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 0.48 0.00 0.00 -0.31 0.00 0.00 38 P 0.00 4.78 0.00 2.23 2.10 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 39 V 7.17 4.30 2.13 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 0.71 0.00 0.00 0.99 0.00 0.00 40 E 8.42 4.01 0.00 1.99 1.73 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 2.23 1.86 0.00 41 V 7.70 3.90 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.70 0.00 0.00 42 H 8.12 4.61 0.00 3.09 3.20 0.00 6.03 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 43 D 9.46 4.89 0.00 2.87 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 44 I 7.95 4.70 1.86 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 1.53 1.06 0.93 0.00 0.00 45 D 8.71 5.36 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 46 I 8.89 5.04 1.85 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.18 1.08 0.00 0.00 47 Q 9.08 5.17 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.44 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 48 T 8.87 5.29 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 1.29 0.00 0.00 49 D 8.45 5.64 0.00 2.88 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 50 E 9.09 3.88 0.00 2.18 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 0.00 2.42 2.06 0.00 51 E 8.31 4.24 0.00 2.12 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 2.44 2.42 0.00 52 G 8.96 4.11 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 0.00 0.00 0.00 53 A 7.97 3.92 1.11 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 0.00 0.00 54 Y 7.50 4.03 0.00 3.17 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 55 E 8.42 4.01 0.00 2.18 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 2.48 2.53 0.00 56 I 8.22 3.78 1.98 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 1.39 0.90 0.91 0.00 0.00 57 E 8.16 3.97 0.00 2.00 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 0.00 2.35 2.34 0.00 58 R 7.79 3.91 0.00 1.90 2.13 0.00 3.31 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 1.62 1.67 0.00 59 I 7.96 3.73 1.85 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 1.37 0.65 0.24 0.00 0.00 60 F 8.23 5.05 0.00 3.19 3.21 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 61 S 8.53 4.32 0.00 3.99 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 0.00 62 E 7.95 3.98 0.00 1.79 1.87 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 1.47 1.58 0.00 63 F 8.14 4.71 0.00 3.28 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 64 V 7.55 4.05 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 0.77 0.00 0.00 1.03 0.00 0.00 65 S 8.67 4.55 0.00 3.89 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 *68 V 7.58 3.91 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 0.01 0.00 0.00 0.72 0.00 0.00 69 R 8.80 4.93 0.00 1.98 1.77 0.00 3.21 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 70 F 9.05 4.56 0.00 3.00 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 71 S 8.08 4.47 0.00 3.55 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 72 S 8.31 4.76 0.00 3.37 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.28 4.79 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 1.14 0.00 0.00 74 E 8.61 4.26 0.00 1.97 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 2.34 2.24 0.00 *76 I 7.56 4.66 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.91 0.89 0.00 0.00 77 C 8.86 5.16 0.00 2.39 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 78 S 7.84 4.90 0.00 4.09 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 79 H 9.13 4.99 0.00 3.11 3.22 0.00 5.56 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 9.17 5.20 0.00 3.07 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 81 G 7.81 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 82 E 8.27 5.04 0.00 1.82 1.64 0.00 0.00 0.00 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 83 L 8.83 5.26 0.00 1.32 1.49 0.49 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.63 4.68 1.90 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 1.22 0.61 0.91 0.00 0.00 85 I 8.49 4.23 1.55 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.42 0.38 0.00 0.00 86 D 9.90 4.35 0.00 2.66 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 G 8.35 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 88 I 7.25 4.17 1.75 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.45 0.61 0.00 0.00 *90 V 8.13 4.19 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 0.73 0.00 0.00 0.73 0.00 0.00 91 E 9.06 4.74 0.00 2.16 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 2.36 2.34 0.00 92 I 8.24 4.74 1.61 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.82 0.79 0.00 0.00 93 M 9.07 5.08 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.87 0.00 94 G 9.32 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 0.00 0.00 0.00 95 D 8.90 4.54 0.00 2.95 2.78 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 96 I 7.43 4.24 1.98 0.00 0.00 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 1.42 1.11 1.01 0.00 0.00 97 R 8.85 5.00 0.00 1.80 2.20 0.00 3.20 0.00 0.00 3.06 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 *99 R 8.46 3.65 0.00 1.07 1.51 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.16 0.00 100 L 8.43 4.48 0.00 1.68 1.50 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.62 3.85 0.00 1.90 1.97 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 2.27 2.25 0.00 102 D 7.98 4.52 0.00 2.75 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 0.00 103 G 8.07 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 0.00 0.00 0.00 104 T 7.98 4.30 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 1.24 0.00 0.00 105 W 8.50 5.14 0.00 3.23 3.23 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 0.00 106 E 9.01 4.35 0.00 2.06 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 0.00 2.45 2.48 0.00 107 D 8.66 4.62 0.00 2.77 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 0.00 108 P 0.00 4.78 0.00 2.11 2.07 0.00 3.81 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 109 V 8.22 3.76 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 0.68 0.00 0.00 0.89 0.00 0.00 110 D 8.59 4.56 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 0.00 111 L 8.51 4.14 0.00 1.68 1.69 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 112 N 7.71 4.50 0.00 2.85 2.82 0.00 0.00 7.03 8.38 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 *114 Y 7.68 4.23 0.00 2.75 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 *116 R 7.38 4.27 0.00 1.87 2.07 0.00 3.14 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 117 F 8.49 5.28 0.00 2.91 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 0.00 118 V 8.73 4.42 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 0.85 0.00 0.00 0.93 0.00 0.00 119 E 8.83 4.65 0.00 1.89 1.87 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 2.31 2.25 0.00 120 T 8.99 4.45 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 1.19 0.00 0.00 121 H 9.86 4.09 0.00 3.30 3.36 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.53 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 0.00 0.00 0.00 123 M 7.74 4.17 0.00 0.74 1.60 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.20 0.00 *125 I 8.11 4.28 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.96 0.88 0.00 0.00 126 P 0.00 4.49 0.00 1.65 1.79 0.00 2.90 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 0.49 0.48 0.00 127 V 8.26 4.93 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 0.90 0.00 0.00 0.91 0.00 0.00 128 L 7.71 4.45 0.00 1.60 1.57 0.69 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 129 S 8.84 4.06 0.00 4.17 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 0.00 130 L 8.92 4.07 0.00 1.77 1.65 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.23 4.04 0.00 2.09 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 0.00 2.45 2.37 0.00 132 Y 8.06 3.81 0.00 2.77 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 0.00 133 E 8.39 3.86 0.00 2.02 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 2.53 2.60 0.00 134 Y 8.20 3.95 0.00 2.93 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 0.00 135 Q 7.77 3.57 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.64 2.49 0.00 136 A 7.51 3.97 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 0.00 137 Y 8.41 4.33 0.00 3.05 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 0.00 138 L 7.49 4.04 0.00 1.62 1.52 0.52 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 *140 L 7.97 4.14 0.00 1.69 1.68 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 141 G 7.97 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 142 R 7.57 4.21 0.00 1.52 1.63 0.00 2.21 0.00 0.00 2.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.32 0.00 143 V 7.54 3.74 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 0.99 0.00 0.00 0.91 0.00 0.00 144 E 8.13 4.07 0.00 2.02 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 2.41 2.28 0.00 *146 A 8.15 4.47 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.65 4.13 0.00 2.02 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 2.45 2.63 0.00 148 T 8.02 4.05 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 1.20 0.00 0.00 149 L 7.79 4.04 0.00 1.80 1.53 0.28 -0.40 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 0.00 150 R 8.05 3.76 0.00 1.62 1.95 0.00 2.21 0.00 0.00 2.60 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 *152 W 7.98 4.65 0.00 3.47 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.44 3.98 0.00 1.79 1.64 0.82 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 154 N 8.28 4.26 0.00 2.60 2.80 0.00 0.00 7.12 7.20 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 0.00 155 E 7.45 4.01 0.00 1.89 1.82 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 2.26 2.19 0.00 156 R 6.98 3.82 0.00 1.57 1.55 0.00 3.19 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 * Residues marked with a * may have inaccurate shift predictions.