NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0515 8.1633 120.7227 55.2103 33.9415 173.9048 2 R 4.9622 9.3186 120.3277 52.5183 34.3914 169.7027 3 V 5.6245 8.4596 120.9666 60.2614 35.8908 173.2546 4 V 4.8349 8.7696 123.5939 61.4571 33.9243 173.8160 5 I 4.9618 8.8522 129.6096 59.8673 39.5602 174.8870 6 Q 5.6111 8.8022 124.7424 52.8947 32.6937 174.5756 7 R 4.4667 8.5469 124.1478 56.2257 31.5156 175.4049 8 V 5.0254 9.0176 119.3989 59.6993 35.1889 176.4805 9 K 4.4592 9.4272 122.1111 56.4517 32.7664 177.1749 10 G 4.4575 7.4015 110.9214 45.7742 0.0000 171.3940 11 A 5.1688 7.9997 121.2346 50.7608 23.3551 175.3983 12 I 4.7681 9.4010 124.4402 59.3511 40.3611 174.2634 13 L 5.0292 9.0196 130.0958 53.4873 43.9518 175.2769 14 S 5.3226 9.6067 122.6356 56.9114 66.6205 173.5112 15 V 4.8188 8.6158 115.2990 59.3590 35.5776 175.0722 16 R 4.4835 8.6766 123.4266 56.2125 30.6795 177.8274 17 K 4.0185 8.7865 125.0918 57.3705 32.0249 174.0011 *27 L 4.3839 7.4839 117.3993 54.1680 42.8564 175.6545 28 E 4.6789 9.2410 123.0711 54.1172 32.1777 175.2095 29 I 4.3747 8.6240 128.5464 61.7849 37.1625 175.8587 30 I 4.5545 8.9646 119.3069 60.9161 39.9466 175.9723 31 S 4.8075 7.9249 117.5602 56.7866 67.2739 172.9087 32 E 5.3121 8.7481 121.9291 54.6632 33.3288 174.8275 33 I 4.8858 8.3723 116.1105 57.2507 41.2138 175.0476 34 K 4.6360 9.4960 129.1843 55.8861 30.9656 177.6599 35 N 4.4607 8.5413 124.3360 53.8160 39.6280 174.5193 36 G 4.3445 7.0386 108.4269 45.9744 0.0000 171.2717 37 L 5.3380 8.5412 122.8508 52.9265 45.6833 175.4509 38 I 4.6377 8.3427 123.1462 59.5460 40.2628 173.9230 39 C 5.1970 9.0864 127.0773 57.9869 31.3436 173.1150 40 F 4.9953 9.1403 124.3410 56.5416 40.0336 174.9493 41 L 5.0279 9.6930 128.3237 53.4348 43.7138 175.3797 42 G 4.4209 9.3813 116.1064 45.4669 0.0000 171.5245 43 I 5.0007 8.6604 127.6919 60.0518 38.6427 175.3813 44 H 3.6247 9.5290 128.0643 54.9476 30.5917 175.9014 45 K 3.7241 7.8728 126.5074 59.4326 31.9425 177.8292 46 N 4.9383 8.0626 113.5494 53.2163 39.0804 174.5934 47 D 4.7667 7.5783 118.9923 54.1970 41.7792 176.4855 48 T 4.8266 9.4281 113.9760 59.5846 71.2196 175.2961 49 W 4.6454 9.1571 131.7443 61.0750 30.4843 177.8473 50 E 3.9485 8.4569 117.9714 59.6900 28.4862 178.9548 51 D 4.4358 8.6761 118.9694 57.0165 40.8540 178.7652 52 A 3.9853 7.8651 120.8959 55.2316 18.5260 179.2933 53 L 3.4355 7.5342 117.8284 58.1434 41.4873 179.3150 54 Y 3.8161 7.7951 118.7448 60.4166 38.5670 178.2679 55 I 3.8009 7.3580 119.6241 64.4764 37.2363 178.0600 56 I 2.9352 7.3533 120.4682 64.2456 36.8731 178.0520 57 R 3.7243 7.7083 119.0758 59.8367 29.7839 178.6606 58 K 3.9209 7.5648 117.9049 59.3969 31.8003 179.2676 59 C 4.2469 8.2154 116.6012 62.9669 27.9448 175.8946 60 L 4.2141 8.5288 120.9144 56.9418 41.0318 178.3456 61 N 4.4458 7.9628 113.8847 52.3027 40.3036 175.4610 62 L 3.9993 7.5186 121.5460 55.1180 42.1469 176.8395 63 R 4.7826 8.4763 122.5802 55.2644 28.9612 175.8421 64 L 4.9112 8.5624 119.8538 53.8982 42.7978 176.5793 65 W 4.7615 8.2469 119.2436 54.4768 32.3542 174.7005 66 N 4.6899 8.4623 118.4414 53.0251 38.9800 174.0263 67 N 4.8953 8.2520 120.4970 52.3971 42.5229 175.5905 68 D 4.4577 9.2864 128.7124 55.7309 39.2376 174.4371 69 N 4.8908 9.4426 120.9489 53.5443 39.9152 174.1215 70 K 4.5686 8.0379 119.2410 54.9907 33.8578 175.7604 71 T 4.9711 8.0771 110.9300 59.5495 71.6733 173.9142 72 W 3.8027 7.6786 120.2311 58.5070 26.4244 173.5699 73 D 4.8861 8.7886 116.3169 54.3839 44.0891 176.8260 74 K 4.7998 8.1532 117.4190 54.4856 34.9951 176.2581 75 N 5.5012 9.2860 122.5230 51.0049 39.5687 176.5765 76 V 3.4601 8.5841 118.3559 64.6842 31.3381 178.5204 77 K 3.2207 7.4418 118.7349 59.0683 31.6448 178.7065 78 D 4.2882 8.1919 118.0783 57.4039 40.9233 178.4662 79 L 3.8626 6.9452 115.0944 53.4413 41.8210 176.0604 80 N 4.3320 7.6542 115.9148 54.1513 37.7068 173.5008 81 Y 4.9654 7.9614 114.0198 57.0760 39.4586 174.8414 82 E 4.9945 8.7356 119.1987 54.9492 32.8862 175.3530 83 L 5.0076 8.9580 121.2610 52.9063 45.3825 175.5596 84 L 4.8421 8.9634 125.6073 53.5443 44.1964 175.0886 85 I 4.5594 8.3282 128.8405 59.9709 38.8039 175.1586 86 V 4.4104 8.7398 128.0938 60.7386 34.0690 174.5705 87 S 4.6568 8.6835 123.3302 58.6033 63.2434 173.7588 88 Q 4.4152 9.2847 128.5263 53.7025 29.4493 175.1382 89 F 4.5666 8.4760 120.3328 59.1154 38.4816 178.1317 90 T 4.3705 7.1465 110.9586 63.5760 68.9304 176.2593 91 L 3.8999 7.6487 121.8998 57.5155 41.7548 177.3030 92 F 4.7084 8.3361 117.2413 57.5568 39.2953 176.2958 93 G 3.9757 8.0483 112.3242 44.3551 0.0000 172.6777 94 N 4.3885 9.1457 125.7783 53.7559 39.2132 175.4245 95 T 4.4475 8.4023 116.7236 61.7635 69.6380 175.6568 96 K 3.9539 8.3103 127.2031 57.4962 31.8144 182.1224 97 K 4.4326 7.7822 120.6268 53.2849 33.7322 177.6919 98 G 4.1951 8.6858 112.3283 44.7120 0.0000 172.6541 99 N 4.4780 8.5099 116.2826 53.2600 38.9404 175.1962 100 K 4.2689 7.6715 120.6752 54.1837 32.3793 174.4338 101 P 4.2440 0.0000 0.0000 62.4248 31.9800 175.3545 102 D 4.5586 8.3399 121.3932 52.5576 43.3197 176.6507 103 F 5.5484 8.6790 127.2264 56.1141 38.8509 175.5551 104 H 4.6118 7.8059 113.4275 57.4400 29.7620 177.4301 105 L 3.8305 7.6479 119.6008 56.7272 41.8978 176.6136 106 A 4.0006 7.8472 120.6724 51.4652 18.6300 177.6092 107 K 3.9605 8.2138 124.6238 56.1802 33.2894 176.5217 108 E 4.0505 8.8067 124.9138 56.4877 30.2933 176.1841 109 P 4.7593 0.0000 0.0000 63.9168 31.0011 177.7188 110 N 4.5390 7.8646 116.0400 55.2768 39.5958 176.8506 111 E 3.8140 8.0904 118.8766 58.8148 29.5940 179.0571 112 A 4.1501 8.3303 121.4797 54.7906 18.5174 179.3050 113 L 2.9049 7.2952 118.4827 57.9476 42.0693 179.0190 114 I 3.6328 7.2460 118.2058 64.0160 37.9278 177.6049 115 F 4.0716 8.1292 121.4577 61.5149 39.3160 176.3871 116 Y 4.3347 8.8935 119.4928 60.9348 38.6048 177.8320 117 N 4.2647 8.6429 117.6922 56.1985 38.6424 177.3796 118 K 3.8223 8.1423 119.8775 59.7483 32.1150 179.4005 119 I 3.8725 8.0209 119.8189 64.4684 36.8716 178.6174 120 I 3.9098 7.6323 120.7510 64.1088 36.8807 177.9459 121 D 4.3832 8.1181 119.9146 57.5420 40.6484 178.6574 122 E 3.9764 8.3359 119.5619 59.3293 29.5309 178.4624 123 F 4.0940 8.3185 117.9189 60.9499 38.6435 177.9632 124 K 4.1027 8.0414 117.4797 59.2316 31.6764 179.6503 125 K 4.2222 8.1667 118.1930 59.3036 32.1241 178.7073 126 Q 4.3874 8.2432 115.7068 56.5942 29.1433 175.4337 127 Y 4.8504 8.1125 118.6775 56.8955 40.8533 174.1592 128 N 4.3255 6.7691 109.7880 53.0404 43.6942 174.4784 129 D 4.3149 8.9419 126.3837 57.5185 41.5305 177.4248 130 D 4.4638 7.8469 116.3614 56.0513 41.6641 177.3236 131 K 3.9533 7.8600 118.0037 57.8177 32.2663 176.0197 132 I 4.7484 7.4458 119.7079 59.4848 38.6447 175.1780 133 K 4.7720 9.3608 127.4242 54.5376 34.9858 175.3903 134 I 4.9623 7.7405 115.5265 58.4904 41.1444 173.9230 135 G 4.1904 7.9554 109.8028 44.9527 0.0000 173.6596 136 K 4.4812 8.4858 121.5553 53.9166 31.6310 175.3627 137 F 3.8595 8.8034 126.3439 59.6606 39.5160 175.1882 138 G 3.7457 7.9241 114.1653 46.2424 0.0000 172.5482 139 N 5.0387 7.7488 115.6273 50.6662 41.2161 174.0808 140 Y 4.1376 8.4167 121.2467 58.0021 39.5000 174.9531 141 M 4.8916 7.3401 125.0286 53.3969 36.2374 174.0138 142 N 4.7553 9.0713 121.2817 51.9198 41.4225 173.3332 143 I 4.7498 8.2863 126.9284 59.5543 39.7423 174.9591 144 D 4.6456 9.1126 129.2296 53.7328 41.7608 175.9685 145 V 4.7020 8.3876 123.4479 61.4416 34.5117 175.3711 146 T 4.4423 9.0333 125.5211 61.9967 68.8192 173.0481 147 N 4.8451 8.5871 123.8498 53.1312 39.7945 174.2750 148 D 4.2954 10.1758 124.7365 56.5884 42.0411 174.0732 149 G 3.6923 8.9501 118.0515 44.6923 0.0000 171.3652 150 P 4.6530 0.0000 0.0000 60.6079 33.0686 175.5672 151 V 4.5681 8.0584 117.6491 61.4625 34.6423 174.1321 152 T 5.1963 8.6101 123.1648 61.9592 71.9138 173.1867 153 I 4.6646 8.8920 126.7950 59.5227 40.7763 173.8333 154 Y 5.2458 8.6934 126.5761 55.9102 41.5284 174.6572 155 I 4.4180 7.6292 125.4840 59.3785 41.9306 173.7125 156 D 4.9476 8.2285 125.4842 52.4930 43.1712 175.6754 157 T 3.5703 8.7622 118.0270 65.3659 68.2953 175.4508 158 H 4.1770 8.1169 118.2579 58.2647 29.0539 175.0493 159 D 4.5482 7.7229 122.6224 54.7249 40.6008 176.1647 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 8.16 5.05 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.32 4.96 0.00 1.41 1.70 0.00 2.21 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 3 V 8.46 5.62 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 0.66 0.00 0.00 1.11 0.00 0.00 4 V 8.77 4.83 2.30 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 1.21 0.00 0.00 1.13 0.00 0.00 5 I 8.85 4.96 1.91 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 1.29 0.56 0.94 0.00 0.00 6 Q 8.80 5.61 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.02 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 7 R 8.55 4.47 0.00 1.65 1.81 0.00 2.21 0.00 0.00 2.68 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.56 0.00 8 V 9.02 5.03 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 0.84 0.00 0.00 1.02 0.00 0.00 9 K 9.43 4.46 0.00 1.59 1.84 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.42 7.81 10 G 7.40 4.46 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 11 A 8.00 5.17 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 9.40 4.77 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.84 0.96 0.00 0.00 13 L 9.02 5.03 0.00 1.66 1.50 0.90 0.62 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 14 S 9.61 5.32 0.00 3.77 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 15 V 8.62 4.82 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 0.93 0.00 0.00 1.00 0.00 0.00 16 R 8.68 4.48 0.00 1.86 1.88 0.00 3.07 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 17 K 8.79 4.02 0.00 1.77 1.73 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.03 7.81 *27 L 7.48 4.38 0.00 1.69 1.72 1.00 0.99 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 28 E 9.24 4.68 0.00 1.97 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 2.20 2.26 0.00 29 I 8.62 4.37 1.88 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 1.41 0.66 0.92 0.00 0.00 30 I 8.96 4.55 1.89 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 1.25 0.69 0.95 0.00 0.00 31 S 7.92 4.81 0.00 3.73 3.71 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 32 E 8.75 5.31 0.00 1.77 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 2.19 2.28 0.00 33 I 8.37 4.89 1.84 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 1.21 1.39 0.88 0.00 0.00 34 K 9.50 4.64 0.00 1.74 1.34 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.51 7.81 35 N 8.54 4.46 0.00 1.44 1.74 0.00 0.00 6.69 7.63 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 36 G 7.04 4.34 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 0.00 37 L 8.54 5.34 0.00 1.66 1.58 1.13 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.34 4.64 1.75 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 0.25 1.21 0.89 0.00 0.00 39 C 9.09 5.20 0.00 2.77 2.83 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 40 F 9.14 5.00 0.00 3.02 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 41 L 9.69 5.03 0.00 1.94 1.97 1.21 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.38 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 0.00 0.00 0.00 0.00 43 I 8.66 5.00 2.02 0.00 0.00 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 1.60 1.30 0.70 0.00 0.00 44 H 9.53 3.62 0.00 2.92 3.33 0.00 5.60 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 45 K 7.87 3.72 0.00 1.70 1.68 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.31 7.81 46 N 8.06 4.94 0.00 2.81 2.83 0.00 0.00 6.93 8.06 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 47 D 7.58 4.77 0.00 2.46 2.43 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 48 T 9.43 4.83 4.40 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 1.29 0.00 0.00 49 W 9.16 4.65 0.00 3.39 3.18 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 50 E 8.46 3.95 0.00 2.07 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 2.50 2.41 0.00 51 D 8.68 4.44 0.00 3.00 2.83 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 52 A 7.87 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.53 3.44 0.00 1.54 1.49 0.80 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.80 3.82 0.00 3.20 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 I 7.36 3.80 2.06 0.00 0.00 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 1.89 0.96 1.06 0.00 0.00 56 I 7.35 2.94 1.50 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 0.15 0.16 0.00 0.00 57 R 7.71 3.72 0.00 1.69 1.86 0.00 2.92 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.53 0.00 58 K 7.56 3.92 0.00 1.85 1.77 0.00 1.63 0.00 0.00 1.49 0.00 0.00 2.62 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.89 1.19 7.81 59 C 8.22 4.25 0.00 3.45 3.25 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 60 L 8.53 4.21 0.00 1.64 1.64 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.96 4.45 0.00 2.75 2.80 0.00 0.00 7.05 7.13 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 62 L 7.52 4.00 0.00 1.80 1.64 0.93 0.89 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 63 R 8.48 4.78 0.00 1.91 2.05 0.00 3.20 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.87 0.00 64 L 8.56 4.91 0.00 1.07 1.45 0.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.25 4.76 0.00 3.55 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 66 N 8.46 4.69 0.00 2.71 2.67 0.00 0.00 6.33 6.92 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 67 N 8.25 4.90 0.00 2.61 2.77 0.00 0.00 7.01 8.63 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 68 D 9.29 4.46 0.00 2.86 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 9.44 4.89 0.00 2.68 2.80 0.00 0.00 6.74 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 70 K 8.04 4.57 0.00 2.01 1.72 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.36 7.81 71 T 8.08 4.97 3.77 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 1.14 0.00 0.00 72 W 7.68 3.80 0.00 3.44 3.36 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 73 D 8.79 4.89 0.00 2.78 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 74 K 8.15 4.80 0.00 1.81 1.64 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.31 7.81 75 N 9.29 5.50 0.00 3.10 3.20 0.00 0.00 6.61 7.07 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 76 V 8.58 3.46 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 1.13 0.00 0.00 1.16 0.00 0.00 77 K 7.44 3.22 0.00 1.64 1.59 0.00 1.47 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.84 7.81 78 D 8.19 4.29 0.00 2.64 2.64 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 0.00 0.00 0.00 79 L 6.95 3.86 0.00 0.27 0.13 0.17 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.65 4.33 0.00 2.75 2.85 0.00 0.00 7.14 7.83 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 81 Y 7.96 4.97 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 82 E 8.74 4.99 0.00 1.94 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 2.22 2.29 0.00 83 L 8.96 5.01 0.00 1.43 1.31 1.16 0.52 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 84 L 8.96 4.84 0.00 1.62 1.41 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.33 4.56 1.80 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.66 1.03 0.00 0.00 86 V 8.74 4.41 1.81 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 1.01 0.00 0.00 0.79 0.00 0.00 87 S 8.68 4.66 0.00 3.39 3.42 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 88 Q 9.28 4.42 0.00 2.32 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 89 F 8.48 4.57 0.00 3.25 3.28 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 90 T 7.15 4.37 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 0.38 0.00 0.00 91 L 7.65 3.90 0.00 1.63 1.51 1.12 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.34 4.71 0.00 3.46 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 93 G 8.05 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 9.15 4.39 0.00 2.77 2.88 0.00 0.00 6.64 7.98 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 95 T 8.40 4.45 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 1.20 0.00 0.00 96 K 8.31 3.95 0.00 1.80 1.78 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.01 7.81 97 K 7.78 4.43 0.00 1.72 1.60 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.23 0.96 7.81 98 G 8.69 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.51 4.48 0.00 2.71 2.85 0.00 0.00 6.86 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 0.00 100 K 7.67 4.27 0.00 1.70 1.70 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.47 7.81 101 P 0.00 4.24 0.00 1.64 1.76 0.00 3.69 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 2.11 2.05 0.00 102 D 8.34 4.56 0.00 2.62 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 0.00 103 F 8.68 5.55 0.00 3.10 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 7.81 4.61 0.00 3.34 3.54 0.00 5.55 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.65 3.83 0.00 1.62 1.38 1.05 0.77 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 0.00 106 A 7.85 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.21 3.96 0.00 1.85 1.69 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.45 7.81 108 E 8.81 4.05 0.00 2.09 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 2.37 2.34 0.00 109 P 0.00 4.76 0.00 2.25 2.14 0.00 3.58 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 110 N 7.86 4.54 0.00 2.74 2.85 0.00 0.00 7.11 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 0.00 111 E 8.09 3.81 0.00 2.02 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 2.41 2.39 0.00 112 A 8.33 4.15 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.30 2.90 0.00 1.23 1.46 0.60 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.25 3.63 1.87 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 1.42 1.08 1.10 0.00 0.00 115 F 8.13 4.07 0.00 3.38 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 0.00 116 Y 8.89 4.33 0.00 3.29 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 0.00 117 N 8.64 4.26 0.00 3.01 2.84 0.00 0.00 7.05 7.16 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 0.00 118 K 8.14 3.82 0.00 1.82 1.33 0.00 1.31 0.00 0.00 0.80 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.14 1.53 7.81 119 I 8.02 3.87 2.12 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.80 1.05 0.00 0.00 120 I 7.63 3.91 1.88 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.10 0.86 0.00 0.00 121 D 8.12 4.38 0.00 2.94 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 0.00 122 E 8.34 3.98 0.00 2.37 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 0.00 2.14 2.28 0.00 123 F 8.32 4.09 0.00 3.29 3.07 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 0.00 124 K 8.04 4.10 0.00 2.01 1.87 0.00 1.91 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.56 7.81 125 K 8.17 4.22 0.00 1.90 1.90 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.63 7.81 126 Q 8.24 4.39 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 127 Y 8.11 4.85 0.00 2.91 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 0.00 128 N 6.77 4.33 0.00 2.65 1.87 0.00 0.00 7.05 8.37 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 0.00 129 D 8.94 4.31 0.00 2.62 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 0.00 130 D 7.85 4.46 0.00 2.62 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 0.00 131 K 7.86 3.95 0.00 1.19 1.35 0.00 1.62 0.00 0.00 1.49 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.17 0.52 7.81 132 I 7.45 4.75 1.82 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.88 0.74 0.00 0.00 133 K 9.36 4.77 0.00 1.80 1.65 0.00 1.44 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.37 7.81 134 I 7.74 4.96 2.11 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.18 0.90 0.00 0.00 135 G 7.96 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 0.00 136 K 8.49 4.48 0.00 1.83 1.75 0.00 1.81 0.00 0.00 1.95 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.46 7.81 137 F 8.80 3.86 0.00 2.90 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 0.00 138 G 7.92 3.75 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 0.00 0.00 0.00 139 N 7.75 5.04 0.00 2.92 2.77 0.00 0.00 6.81 7.08 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 0.00 140 Y 8.42 4.14 0.00 2.95 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 0.00 141 M 7.34 4.89 0.00 1.76 1.72 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 142 N 9.07 4.76 0.00 2.93 2.71 0.00 0.00 6.95 7.46 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 0.00 143 I 8.29 4.75 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.76 0.97 0.00 0.00 144 D 9.11 4.65 0.00 2.59 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 0.00 145 V 8.39 4.70 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 0.91 0.00 0.00 0.99 0.00 0.00 146 T 9.03 4.44 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 1.22 0.00 0.00 147 N 8.59 4.85 0.00 2.62 2.78 0.00 0.00 6.95 8.06 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 0.00 148 D 10.18 4.30 0.00 2.78 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 0.00 149 G 8.95 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 0.00 0.00 0.00 150 P 0.00 4.65 0.00 2.21 2.08 0.00 3.33 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.92 0.00 151 V 8.06 4.57 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 1.19 0.00 0.00 1.00 0.00 0.00 152 T 8.61 5.20 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 0.00 153 I 8.89 4.66 1.90 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 1.12 1.13 0.92 0.00 0.00 154 Y 8.69 5.25 0.00 2.90 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 0.00 155 I 7.63 4.42 1.78 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 1.11 0.74 0.99 0.00 0.00 156 D 8.23 4.95 0.00 2.62 2.64 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 0.00 0.00 0.00 157 T 8.76 3.57 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 1.32 0.00 0.00 158 H 8.12 4.18 0.00 3.19 3.42 0.00 5.87 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.72 4.55 0.00 2.70 2.59 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 * Residues marked with a * may have inaccurate shift predictions.