NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3286 8.3044 120.3363 55.5346 33.8065 175.3907 2 D 4.5901 7.7735 122.1503 52.8159 39.4292 174.4735 3 F 5.1033 8.8938 120.8642 57.1587 41.1143 175.1410 4 R 4.9254 9.4514 119.9740 54.5729 34.4377 174.1375 5 I 4.9485 8.4394 114.9288 59.2527 40.7772 174.5041 6 G 4.4282 9.0587 110.5855 44.6274 0.0000 171.2879 7 Q 5.2314 8.6094 118.1593 54.2628 32.6426 174.0968 8 G 4.5100 9.2565 107.2138 44.9960 0.0000 170.7761 9 Y 5.4527 8.4528 121.9133 56.1519 42.2155 173.3685 10 D 4.4490 7.7277 122.2678 53.5647 45.3905 174.1719 11 V 4.6756 7.7097 120.2773 60.9368 34.4255 173.2266 12 H 4.9370 8.9356 118.7055 53.9980 33.6978 172.7024 13 Q 4.5139 8.7994 122.8366 56.2222 30.4713 174.4706 14 L 5.0882 8.4661 128.2898 53.8468 43.1720 175.7552 15 V 4.6755 9.2239 119.2420 58.9743 36.5747 173.3094 16 P 4.5021 0.0000 0.0000 63.6188 31.8174 177.2303 17 G 3.9808 9.3432 109.9041 45.2805 0.0000 173.5468 18 R 4.7231 7.4609 117.9953 53.3337 33.5543 172.9597 19 P 4.6119 0.0000 0.0000 62.4536 33.0699 175.7028 20 L 4.3424 8.4843 123.8802 54.4847 43.0652 175.4068 21 I 4.9822 8.2925 128.1812 59.6712 39.9847 174.9768 22 I 4.5679 8.3340 128.2541 60.4343 39.8471 176.3166 23 G 3.9310 9.8710 112.7951 46.6835 0.0000 174.7306 24 G 3.8917 9.1186 105.3336 45.1404 0.0000 174.1559 25 V 4.3044 7.5416 119.7510 60.8590 33.5280 174.4233 26 T 4.8261 8.4484 123.9881 63.0731 69.2771 173.9769 27 I 4.4630 8.6082 128.1012 58.2474 39.5564 173.5500 28 P 4.3439 0.0000 0.0000 63.9010 30.1242 174.9762 29 Y 4.8656 8.2418 123.3992 56.4997 41.4739 174.8906 30 E 4.0372 7.6925 123.8492 58.2932 29.8552 176.7143 31 R 4.8298 6.8705 113.8813 54.4976 34.3219 174.4882 32 G 4.4080 8.9472 105.9779 45.0727 0.0000 171.0579 33 L 5.6914 8.5238 121.2413 53.3771 43.4201 178.4864 34 L 4.4794 8.4457 126.1070 53.5213 39.2533 174.3519 *38 D 4.4245 8.3830 123.6775 51.1171 41.4608 176.3445 39 A 3.4531 8.0170 120.8339 53.5150 15.8084 178.5860 40 D 4.7967 8.0863 122.3393 54.3586 40.1231 175.5656 41 V 3.9633 7.9219 128.0269 63.7045 31.5570 177.9884 42 L 3.8618 7.7852 120.3236 58.0868 42.0255 178.8908 43 L 4.0380 7.8620 118.7738 57.7262 41.4087 179.1745 44 H 4.2487 8.2266 116.1879 58.8139 28.6282 177.3885 45 A 4.0121 7.8715 122.3003 55.4429 18.1713 179.7792 46 I 3.6214 7.6497 117.8902 64.7358 37.1899 178.6515 47 T 3.6955 8.1020 116.7725 66.8647 68.2479 176.2694 48 D 4.5120 8.4027 120.4390 57.3665 40.8514 178.5585 49 A 4.2142 8.1129 122.6905 54.6046 18.4216 179.7897 50 L 3.8195 8.0120 117.3264 57.9515 41.6563 179.6469 51 F 4.5148 7.9609 117.8662 60.4988 38.9084 177.9192 52 G 3.6344 8.5103 105.3825 47.9092 0.0000 175.6647 53 A 4.1671 7.9991 123.3432 53.9242 18.4734 178.9653 54 A 3.1017 7.6577 116.7070 51.6145 19.2750 176.8524 55 A 3.6454 7.5773 118.6393 53.7258 16.2455 177.8551 56 L 4.7358 8.4688 116.6451 55.5311 43.5474 178.6834 57 G 3.9713 9.0249 112.8680 45.7715 0.0000 176.2539 58 D 4.7976 8.0540 125.5665 50.3685 42.3193 175.5826 59 I 3.7791 9.3774 119.5309 64.3159 37.5360 177.9429 60 G 3.6053 8.0735 105.0314 47.8298 0.0000 175.1549 61 R 3.9319 8.0085 120.1100 59.2373 30.1034 177.8912 62 H 4.2005 7.3089 114.9091 56.3877 29.3366 175.2250 63 F 4.8597 7.6604 120.0756 55.4237 39.4749 174.7138 64 S 4.2298 8.6347 120.6609 60.6851 63.5800 175.9870 *70 F 4.8574 8.0479 120.0890 57.1701 40.5478 177.1214 71 K 4.0186 8.4471 123.3292 57.1130 31.5311 183.2350 72 G 4.1928 7.9099 107.1373 44.6798 0.0000 172.5820 73 A 4.5638 7.6254 122.7434 50.2587 20.6651 178.5221 74 D 4.7148 8.3126 123.0978 52.6622 42.2660 177.7622 75 S 4.2081 9.6407 115.9270 61.3531 62.5793 177.3190 76 R 3.9630 8.0148 120.6820 58.9781 29.8063 178.6219 77 A 3.9778 8.4652 120.7892 54.9773 18.3886 179.6512 78 L 3.2363 7.6734 117.5116 57.5220 41.6368 179.3728 79 L 3.8565 8.2129 120.5399 58.3624 42.1621 179.1686 80 R 3.9035 8.2752 118.2617 59.3824 30.0813 178.7399 81 E 4.0440 8.5858 119.4588 59.1262 29.6073 178.1492 82 C 4.0014 8.7200 119.1041 62.6270 31.5033 175.4287 83 A 3.9357 8.0114 122.0878 55.3151 17.9351 179.5023 84 S 4.0740 8.0309 111.0897 61.6845 62.1759 176.6876 85 R 4.0736 8.1229 120.6623 59.1267 29.6266 179.2000 86 V 3.7306 8.0987 117.9770 65.9594 31.5666 177.8613 87 A 4.3916 8.3325 124.4157 55.4988 18.0128 180.2895 88 Q 4.0379 8.0783 117.7323 60.0439 28.2530 179.7267 89 A 4.5118 7.6131 118.7486 52.6347 18.9926 178.0728 90 G 3.7345 8.2169 106.3144 44.5603 0.0000 173.0089 91 F 5.3547 7.9808 119.2125 55.8391 41.1406 174.7024 92 A 4.7367 9.1257 125.8232 50.5709 20.9857 176.2179 93 I 4.1710 8.3627 122.5430 61.5434 37.6077 175.7797 94 R 4.6153 8.8857 125.9604 57.7218 31.7960 176.0448 95 N 4.9099 7.5882 113.1848 52.1771 40.6160 173.4272 96 V 4.9852 8.7555 119.3915 61.2437 35.0103 173.7475 97 D 5.4909 9.2321 125.8294 51.7305 45.2379 174.1066 98 S 5.1479 8.2326 115.7160 57.7803 66.8157 172.8762 99 T 5.0789 8.9306 116.9599 61.9888 72.5945 172.9332 100 I 4.7416 8.8310 127.1129 59.8028 39.7175 174.6597 101 I 4.9265 9.0308 128.2569 59.7294 38.6566 174.8347 102 A 4.7649 8.9763 129.8468 50.4188 21.8670 176.7319 103 Q 3.8452 9.0142 124.3228 58.9650 29.5160 175.7106 104 A 4.4653 7.2608 117.2650 50.3236 21.9440 173.8522 105 P 4.5352 0.0000 0.0000 61.4126 33.2494 175.8114 106 K 4.1070 8.4358 117.7687 56.9341 32.4845 176.9661 107 L 4.5760 8.4037 121.7269 55.2213 43.9455 178.2872 108 A 3.9831 8.2676 120.6160 55.1280 17.8464 177.7589 109 P 4.2044 0.0000 0.0000 64.9959 31.7486 177.4070 110 H 4.7792 8.2601 113.9009 55.6870 29.0672 176.9068 111 I 3.7144 7.4458 123.7555 64.5997 37.0331 177.8302 112 D 4.3621 8.1675 118.9940 57.2977 40.5786 178.7535 113 A 3.9816 7.9070 120.7425 55.3811 18.4736 179.3541 114 M 4.2654 7.8314 118.3524 58.2102 31.9744 179.2856 115 R 3.9003 8.1864 117.9131 59.1315 30.2029 179.0474 116 A 3.9863 8.1045 120.7027 55.0005 18.2651 179.4374 117 N 4.2579 8.2829 115.0137 56.5559 38.6449 177.7173 118 I 3.6460 7.9014 120.8755 64.3956 37.2150 178.3858 119 A 3.9966 8.3261 121.6913 54.9441 18.1735 179.3770 120 A 3.9002 8.0530 119.1889 55.7125 18.3200 179.6772 121 D 4.3507 8.1620 115.9971 56.9979 40.9829 178.1856 122 L 4.2789 8.2097 117.0665 53.5213 42.8169 175.7191 123 D 4.3598 7.8799 117.7997 55.6197 40.0090 172.9970 124 L 4.8327 8.0462 117.2784 51.8429 45.0038 175.5510 125 P 4.2721 0.0000 0.0000 62.7580 32.1999 177.0829 126 L 3.9168 8.8147 124.1552 58.4514 41.9540 178.0893 127 D 4.6463 8.0690 114.3123 53.9916 39.3150 176.3292 128 R 4.6188 8.1604 117.5496 56.0920 31.8621 175.0992 129 V 4.8074 7.7894 119.3107 61.0203 33.8341 174.3381 130 N 5.1199 9.1900 125.6516 51.7964 42.5648 172.9653 131 V 4.8514 8.2992 123.6800 59.9711 34.6591 174.4350 132 K 4.8763 8.9769 125.3613 54.5194 36.2596 174.7827 133 A 5.2673 8.4155 122.1158 50.4147 22.1139 175.6329 134 K 4.7409 9.2777 119.5427 55.0708 37.1813 176.3079 135 T 4.7628 8.3430 113.0933 59.7642 71.2315 173.7241 136 N 4.8048 8.5870 116.3888 52.9161 39.1254 173.9023 137 E 3.8831 8.5751 112.9920 56.9554 27.5927 175.4260 138 K 4.2354 8.1940 113.0393 56.7179 30.5851 175.6632 139 L 4.4022 7.9821 120.0489 54.0916 43.2649 178.4763 140 G 4.2538 8.5211 112.3232 44.8971 0.0000 173.3575 141 Y 4.3513 8.2248 115.7741 60.1042 37.6219 178.4798 142 L 4.2060 7.0870 120.4251 57.6901 41.8112 179.3735 143 G 3.7436 8.1998 104.7888 46.6025 0.0000 174.7343 144 R 4.6310 7.6419 118.7169 55.3524 30.3925 176.8040 145 G 3.9783 7.7306 106.5918 46.4015 0.0000 174.6085 146 E 4.3697 8.5095 119.6219 57.2355 30.6846 175.9592 147 G 4.5267 7.6555 104.7769 45.8267 0.0000 172.5503 148 I 5.0131 8.5755 119.5184 59.3941 41.5827 174.6028 149 E 5.0851 9.0865 125.6754 54.3221 33.1725 174.3743 150 A 5.2640 8.5878 125.6856 50.2257 22.6555 175.0432 151 Q 5.2096 9.3186 119.1344 54.2112 32.6779 174.6498 152 A 5.2212 9.0158 122.5151 50.4062 23.3840 174.8593 153 A 5.2522 9.1577 121.1691 50.0898 22.6825 175.1850 154 A 5.1153 9.1389 122.5038 50.0066 23.0216 174.6123 155 L 5.1149 8.6918 123.0462 53.4407 44.8604 175.7561 156 V 5.2182 8.9380 118.3288 59.6078 36.6912 174.6923 157 V 4.8102 8.8700 120.9320 60.0167 34.6613 175.6434 158 R 4.7801 8.5924 123.2579 55.6346 29.5440 175.4222 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 4.33 0.00 1.35 2.14 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 2 D 7.77 4.59 0.00 2.84 2.49 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 3 F 8.89 5.10 0.00 3.00 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 4 R 9.45 4.93 0.00 1.51 1.70 0.00 3.29 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 5 I 8.44 4.95 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 1.28 0.94 0.92 0.00 0.00 6 G 9.06 4.43 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 0.00 0.00 0.00 7 Q 8.61 5.23 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 8 G 9.26 4.51 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 0.00 0.00 0.00 9 Y 8.45 5.45 0.00 2.93 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 10 D 7.73 4.45 0.00 2.77 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 11 V 7.71 4.68 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 0.75 0.00 0.00 1.07 0.00 0.00 12 H 8.94 4.94 0.00 3.06 3.17 0.00 5.62 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 13 Q 8.80 4.51 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 14 L 8.47 5.09 0.00 1.74 1.75 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 15 V 9.22 4.68 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 0.64 0.00 0.00 0.95 0.00 0.00 16 P 0.00 4.50 0.00 1.92 1.95 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 17 G 9.34 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 18 R 7.46 4.72 0.00 1.82 1.79 0.00 3.29 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.52 0.00 19 P 0.00 4.61 0.00 2.08 2.05 0.00 3.76 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 1.98 1.96 0.00 20 L 8.48 4.34 0.00 2.08 1.83 0.89 0.86 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 21 I 8.29 4.98 1.83 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 1.32 0.62 0.87 0.00 0.00 22 I 8.33 4.57 1.81 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 1.17 0.95 0.86 0.00 0.00 23 G 9.87 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 0.00 0.00 0.00 24 G 9.12 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.54 4.30 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 0.96 0.00 0.00 0.98 0.00 0.00 26 T 8.45 4.83 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 1.21 0.00 0.00 27 I 8.61 4.46 1.77 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.43 0.78 0.00 0.00 28 P 0.00 4.34 0.00 2.13 2.14 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 29 Y 8.24 4.87 0.00 2.93 2.97 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 30 E 7.69 4.04 0.00 1.52 1.80 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 2.14 2.24 0.00 31 R 6.87 4.83 0.00 1.76 1.91 0.00 3.15 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.33 0.00 32 G 8.95 4.41 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 0.00 0.00 0.00 33 L 8.52 5.69 0.00 1.49 1.57 0.91 1.13 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 34 L 8.45 4.48 0.00 1.42 1.48 0.92 0.97 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 *38 D 8.38 4.42 0.00 2.75 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.02 3.45 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 40 D 8.09 4.80 0.00 2.78 2.39 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 41 V 7.92 3.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.95 0.00 0.00 42 L 7.79 3.86 0.00 1.73 1.87 0.89 0.64 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 43 L 7.86 4.04 0.00 1.61 1.66 0.91 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.23 4.25 0.00 3.44 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.87 4.01 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 46 I 7.65 3.62 1.84 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 1.50 0.64 0.87 0.00 0.00 47 T 8.10 3.70 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 1.25 0.00 0.00 48 D 8.40 4.51 0.00 3.04 2.79 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 49 A 8.11 4.21 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 50 L 8.01 3.82 0.00 1.54 1.50 0.80 0.87 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 51 F 7.96 4.51 0.00 3.18 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 52 G 8.51 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.00 4.17 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.66 3.10 1.32 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 0.00 0.00 55 A 7.58 3.65 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 56 L 8.47 4.74 0.00 1.71 1.72 1.15 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.02 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 58 D 8.05 4.80 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 59 I 9.38 3.78 2.16 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.07 0.97 0.00 0.00 60 G 8.07 3.61 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 0.00 0.00 0.00 61 R 8.01 3.93 0.00 1.82 1.77 0.00 3.23 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 62 H 7.31 4.20 0.00 1.71 1.83 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.66 4.86 0.00 2.88 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.63 4.23 0.00 4.03 4.05 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 *70 F 8.05 4.86 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 71 K 8.45 4.02 0.00 1.77 1.74 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 1.02 7.81 72 G 7.91 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 73 A 7.63 4.56 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 74 D 8.31 4.71 0.00 3.22 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 75 S 9.64 4.21 0.00 3.79 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 76 R 8.01 3.96 0.00 1.99 2.02 0.00 3.10 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 77 A 8.47 3.98 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 78 L 7.67 3.24 0.00 1.72 1.33 0.78 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.21 3.86 0.00 1.78 1.80 0.85 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.28 3.90 0.00 1.99 1.97 0.00 3.18 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 81 E 8.59 4.04 0.00 2.15 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 2.60 2.78 0.00 82 C 8.72 4.00 0.00 2.81 3.06 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 83 A 8.01 3.94 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 84 S 8.03 4.07 0.00 3.99 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 85 R 8.12 4.07 0.00 2.32 2.17 0.00 3.44 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.17 0.00 86 V 8.10 3.73 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 1.09 0.00 0.00 0.91 0.00 0.00 87 A 8.33 4.39 1.44 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 0.00 0.00 88 Q 8.08 4.04 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 89 A 7.61 4.51 1.56 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 0.00 0.00 90 G 8.22 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 91 F 7.98 5.35 0.00 3.10 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 92 A 9.13 4.74 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.36 4.17 1.88 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 0.60 0.91 0.00 0.00 94 R 8.89 4.62 0.00 1.93 2.05 0.00 3.47 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.02 0.00 95 N 7.59 4.91 0.00 2.87 2.87 0.00 0.00 5.60 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 96 V 8.76 4.99 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 0.91 0.00 0.00 0.91 0.00 0.00 97 D 9.23 5.49 0.00 2.78 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 98 S 8.23 5.15 0.00 3.95 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 99 T 8.93 5.08 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 1.21 0.00 0.00 100 I 8.83 4.74 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.57 0.92 0.00 0.00 101 I 9.03 4.93 1.86 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 1.15 0.96 0.88 0.00 0.00 102 A 8.98 4.76 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 0.00 103 Q 9.01 3.85 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 104 A 7.26 4.47 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 0.00 105 P 0.00 4.54 0.00 2.09 1.84 0.00 3.30 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.42 0.00 106 K 8.44 4.11 0.00 1.77 1.78 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.40 7.81 107 L 8.40 4.58 0.00 1.66 1.66 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.27 3.98 1.30 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 0.00 0.00 109 P 0.00 4.20 0.00 1.69 2.01 0.00 3.60 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.11 0.00 110 H 8.26 4.78 0.00 3.26 3.29 0.00 5.81 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.45 3.71 1.99 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 1.51 0.53 0.90 0.00 0.00 112 D 8.17 4.36 0.00 2.67 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 0.00 113 A 7.91 3.98 1.32 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 0.00 0.00 114 M 7.83 4.27 0.00 2.09 2.24 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 2.82 2.57 0.00 115 R 8.19 3.90 0.00 1.99 1.97 0.00 3.12 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 116 A 8.10 3.99 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 0.00 117 N 8.28 4.26 0.00 2.99 2.86 0.00 0.00 7.03 6.84 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 0.00 118 I 7.90 3.65 1.85 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 1.43 0.68 0.89 0.00 0.00 119 A 8.33 4.00 1.42 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 0.00 120 A 8.05 3.90 1.41 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 0.00 0.00 121 D 8.16 4.35 0.00 2.75 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 0.00 122 L 8.21 4.28 0.00 1.56 1.69 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.88 4.36 0.00 2.76 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 0.00 124 L 8.05 4.83 0.00 1.59 1.53 0.92 0.95 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 0.00 125 P 0.00 4.27 0.00 2.35 1.99 0.00 3.63 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 2.13 2.10 0.00 126 L 8.81 3.92 0.00 1.71 1.69 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.07 4.65 0.00 2.82 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 0.00 128 R 8.16 4.62 0.00 1.91 2.08 0.00 3.07 0.00 0.00 3.33 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 129 V 7.79 4.81 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 0.73 0.00 0.00 0.92 0.00 0.00 130 N 9.19 5.12 0.00 2.83 2.77 0.00 0.00 6.19 7.28 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 0.00 131 V 8.30 4.85 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 1.24 0.00 0.00 0.92 0.00 0.00 132 K 8.98 4.88 0.00 1.78 1.63 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.50 7.81 133 A 8.42 5.27 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 134 K 9.28 4.74 0.00 1.56 1.62 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.51 7.81 135 T 8.34 4.76 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 1.20 0.00 0.00 136 N 8.59 4.80 0.00 2.72 2.75 0.00 0.00 6.95 7.65 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 0.00 137 E 8.58 3.88 0.00 2.08 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 2.23 2.39 0.00 138 K 8.19 4.24 0.00 1.93 1.92 0.00 1.67 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.50 7.81 139 L 7.98 4.40 0.00 1.74 1.52 0.90 0.88 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 0.00 140 G 8.52 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 0.00 0.00 0.00 0.00 141 Y 8.22 4.35 0.00 3.25 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.09 4.21 0.00 1.47 1.65 0.83 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.20 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 0.00 0.00 0.00 144 R 7.64 4.63 0.00 1.88 2.01 0.00 3.28 0.00 0.00 3.26 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 145 G 7.73 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 0.00 146 E 8.51 4.37 0.00 2.24 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 2.35 2.33 0.00 147 G 7.66 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.58 5.01 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.88 0.93 0.00 0.00 149 E 9.09 5.09 0.00 2.07 1.76 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 2.19 2.23 0.00 150 A 8.59 5.26 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 0.00 151 Q 9.32 5.21 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 152 A 9.02 5.22 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 0.00 153 A 9.16 5.25 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 0.00 154 A 9.14 5.12 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 0.00 155 L 8.69 5.11 0.00 1.78 1.67 1.04 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.94 5.22 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 0.63 0.00 0.00 0.62 0.00 0.00 157 V 8.87 4.81 1.70 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 0.73 0.00 0.00 0.09 0.00 0.00 158 R 8.59 4.78 0.00 0.74 1.65 0.00 2.46 0.00 0.00 2.64 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.08 0.00 * Residues marked with a * may have inaccurate shift predictions.