NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3778 8.2493 123.5915 52.5138 20.1688 178.9539 3 T 4.9457 8.6021 102.9112 59.2897 67.2177 169.2448 4 P 4.6304 0.0000 0.0000 62.5527 34.8024 177.3029 5 A 4.9990 7.5182 119.8301 50.3897 21.7141 175.0955 6 Y 5.0415 8.5640 117.4137 54.8712 42.5216 174.5674 *8 S 4.5448 8.3497 112.9212 58.7493 64.8762 172.9233 9 I 5.0457 8.3129 121.2771 59.9107 40.7481 174.3882 10 T 4.9285 8.8760 122.7688 61.8166 71.4758 173.1697 11 G 4.8498 9.9170 115.3011 43.7699 0.0000 174.7213 12 T 4.0389 8.3744 113.2527 63.7816 69.0319 175.4019 13 K 4.2747 8.2795 120.0446 58.3595 33.0082 177.3660 14 Q 4.3368 8.2531 113.7280 55.1411 30.0807 177.9585 15 G 3.6388 7.8978 107.7619 46.5611 0.0000 175.4204 16 L 4.7818 8.3088 128.9611 54.2639 41.6427 177.2440 17 I 3.9879 8.8761 128.8954 63.3619 37.6453 177.1968 18 T 4.2993 7.8010 108.8834 61.0123 69.1830 174.0461 19 A 4.3331 7.6178 125.7229 53.9633 18.4224 177.5712 20 G 4.4388 9.2356 111.8075 46.0461 0.0000 173.9743 21 A 4.4024 8.1231 121.5194 52.4321 19.7128 178.7768 22 F 5.0817 8.0788 118.7308 56.1996 39.0128 173.3870 23 T 4.7344 7.2880 114.2126 58.3529 73.7644 174.4653 24 E 3.6925 7.5754 120.4909 59.7295 29.1406 179.4173 25 D 4.2781 7.7456 116.6723 57.6027 41.0544 178.4771 26 S 4.3011 7.6222 112.1307 60.5359 62.5309 174.9665 27 V 4.3671 8.0230 112.7601 59.9957 34.7977 177.5095 28 G 3.8804 7.7000 108.4858 45.8291 0.0000 176.8668 29 N 4.2552 8.9061 122.5213 56.3085 38.7313 175.6522 30 T 4.1204 7.7733 112.8423 65.1256 68.6494 174.1410 31 Y 3.5530 8.0991 124.4262 57.7396 39.1039 174.7401 32 Q 4.2696 7.5566 127.1134 53.4510 31.9467 174.5885 33 E 4.1168 7.3350 122.4050 56.7275 30.1578 176.7042 34 G 3.9523 8.9027 107.3974 46.2799 0.0000 174.4366 35 H 4.7792 7.9282 115.1708 55.0546 30.3170 175.3286 36 E 4.9531 8.5799 120.2515 58.3990 29.5210 178.2810 37 D 5.0194 8.0932 117.0329 53.8910 41.4077 174.9711 38 Q 4.8924 8.2411 118.1673 54.5704 33.6599 176.7757 39 V 4.3128 7.5470 111.0756 61.8416 31.7526 178.6733 *41 V 3.8491 8.3252 130.3378 63.9349 31.5420 174.4339 42 Q 4.5582 9.6289 128.0873 55.6801 29.5121 174.8885 43 G 4.4159 7.6812 103.6833 45.6446 0.0000 171.7316 44 F 5.2333 8.6257 121.4887 57.1706 42.5839 172.7769 45 N 5.0036 8.0250 123.1403 52.8662 42.6409 172.4233 46 H 4.9842 8.5892 121.8999 55.7837 33.0818 172.3947 47 E 4.6499 8.3742 123.5167 54.9198 33.2138 173.4780 48 V 4.7804 8.2841 125.9876 61.1042 33.9096 174.1962 49 I 4.6549 8.5262 126.7310 59.2727 42.2304 174.0798 50 I 4.5617 8.0802 126.3370 58.8265 37.9981 174.0362 51 P 4.1936 0.0000 0.0000 65.1349 31.4241 177.1498 *63 R 4.1770 7.5558 111.9900 55.7701 30.5876 174.5458 64 V 4.3488 8.1958 118.4913 61.4229 33.9654 174.4901 65 H 4.6474 7.8700 125.4259 55.3237 29.4129 175.0667 66 K 4.6454 8.1562 120.5675 53.6915 34.7557 174.5685 67 P 4.9654 0.0000 0.0000 63.2143 32.3168 176.2929 68 V 4.0935 9.1523 123.0031 62.6963 33.3108 175.2044 69 V 4.7767 8.5108 126.9873 61.3171 34.1800 174.7539 70 I 4.8791 8.4877 122.2674 59.3133 40.6523 174.5021 71 T 5.2898 8.1052 117.2247 62.3069 72.9278 173.6820 72 K 5.2177 9.2310 124.4375 55.9520 36.7117 175.3118 73 V 4.9973 8.1299 112.9324 59.0640 33.9589 176.0711 74 F 4.5726 8.9643 120.7318 58.5111 39.3379 175.2594 75 D 4.7870 8.7849 121.0055 52.9212 41.8270 174.5348 76 K 4.0367 8.6506 119.4573 59.9635 32.5647 179.4461 77 A 4.1654 8.2624 120.3625 54.9037 18.3711 179.2567 78 S 4.0157 8.6228 114.3504 61.7957 62.8956 175.5939 79 P 4.3259 0.0000 0.0000 64.9191 31.0656 178.8447 80 L 4.0009 8.3584 118.7823 57.7764 41.5572 179.2961 81 L 4.1182 7.8740 118.4068 57.6385 41.4732 179.4599 82 L 3.9112 7.8252 118.3649 57.6382 41.5198 179.2369 83 A 4.0048 8.0363 121.6108 54.4162 18.4272 179.2086 84 A 3.9259 8.2904 119.6534 55.3890 18.5517 179.5694 85 L 3.9808 8.1668 118.9527 58.7006 41.8985 179.4218 86 T 3.9484 8.2955 110.1817 64.3374 68.4853 175.9871 87 S 4.4491 8.2433 115.7104 58.1472 63.4854 174.5553 88 G 3.8159 7.6387 109.8000 46.3308 0.0000 173.0831 89 E 4.0972 7.9406 121.5479 55.3936 30.7926 176.0242 90 R 4.3354 8.7270 127.9521 56.5661 31.7788 174.9757 91 L 4.6604 9.3576 127.6179 53.7182 42.7567 177.0140 92 T 3.9153 8.7703 121.8772 66.2122 69.5962 174.2814 93 K 4.9584 7.9766 120.7564 54.7544 35.9587 174.6603 94 V 4.7463 8.4358 127.2625 60.9706 34.0602 173.7330 95 E 5.0557 8.6367 128.2281 54.5503 32.2831 174.4884 96 I 4.3161 9.0600 128.7253 59.9920 39.3159 174.6361 97 Q 4.9274 8.9564 126.7422 53.9173 31.2546 174.6048 98 W 5.0996 9.4418 125.0620 55.6934 30.9246 175.1183 99 Y 5.6012 9.0396 121.5212 56.5172 41.2459 174.8302 100 R 4.7582 9.0808 117.8089 55.1293 33.9793 173.6870 101 T 4.8531 8.5668 116.2579 61.9523 69.2306 175.7332 102 S 4.6503 9.3410 121.4453 56.9496 64.1185 174.9829 103 A 3.8777 8.5032 122.4284 55.0581 18.0606 178.1457 104 A 4.3532 8.0105 116.3468 52.1988 18.7436 177.7021 105 G 3.9610 8.1452 104.9711 46.4243 0.0000 173.7649 106 T 4.7741 7.8198 115.4351 61.0619 72.0183 173.6073 107 Q 4.8712 8.7573 124.4726 56.2079 29.9268 175.0951 108 E 4.9076 9.7260 121.3695 54.6486 33.6892 174.2075 109 H 4.2234 8.9062 122.1408 56.2193 29.8844 174.0383 110 Y 4.7671 9.1854 123.4570 56.8446 40.4616 174.6209 111 Y 4.9196 7.1143 120.0734 56.2670 42.8624 173.5166 112 T 5.3895 8.5381 120.3810 62.2175 73.1070 172.8961 113 T 5.0456 9.1728 122.2145 61.8154 71.9540 173.4865 114 V 4.6116 8.2082 124.9980 61.2907 35.2689 173.6763 115 L 4.8261 9.3571 129.0183 53.3952 43.8332 175.2669 116 E 4.8978 8.6025 122.2972 55.0978 32.2950 175.8542 117 D 4.4203 8.3148 121.8747 55.3665 39.2555 173.2256 118 A 4.7409 8.0050 120.1603 52.0085 21.0927 178.0946 119 I 4.8678 8.6357 119.4579 59.8356 41.8399 174.9030 120 I 4.2381 8.6113 128.3980 61.6846 36.8439 176.1544 121 V 4.1998 8.9036 121.0130 61.8480 33.1956 175.8103 122 D 4.5679 7.4332 117.8669 53.2486 44.3515 174.1144 123 I 5.1369 8.2484 124.4924 59.4161 41.4229 174.5079 124 K 4.6272 9.0069 126.1348 54.7962 35.3390 174.2888 125 D 5.5646 8.8420 127.0983 52.9317 42.6316 175.1964 126 Y 4.0820 8.3876 122.6086 57.3100 42.4445 173.8455 *128 H 4.6177 9.1124 114.4542 56.2140 32.0725 173.7901 *138 F 4.3730 7.5951 128.5857 57.8683 39.1308 174.4949 139 T 4.1542 8.1957 120.0151 62.8713 68.3290 174.0620 140 H 4.5621 7.8047 118.9126 54.1739 30.4027 174.1181 141 L 5.2659 8.0282 123.2356 52.6357 45.9979 175.1267 142 E 5.8737 7.8468 115.1787 56.4755 33.8890 174.8981 143 D 5.2894 8.5915 127.8073 53.6574 43.0318 175.7161 144 V 4.7866 8.5381 121.8001 61.3347 35.1043 173.6977 145 H 5.3341 8.8332 124.2718 54.0721 31.3608 172.9282 146 F 5.4675 9.5151 122.8515 56.0478 41.8854 175.7308 147 T 4.8456 8.6289 114.0656 60.8746 71.4537 172.4500 148 Y 4.9877 6.3606 117.1908 57.3693 39.7707 173.9926 149 R 4.2785 8.6736 120.4299 58.4147 31.7015 175.8173 150 K 5.1245 7.9800 117.8040 55.3017 35.8443 174.1096 151 I 4.5580 8.6594 125.6683 59.2575 41.5847 173.9407 152 T 4.6882 7.9955 124.5934 61.3316 71.9311 172.7722 153 W 5.1118 9.9543 126.3229 55.1830 32.2441 174.9745 154 T 4.7774 8.2503 120.7104 61.9767 72.3059 172.3144 155 H 4.7758 9.3300 127.2869 55.4133 30.5591 175.6685 156 E 3.9587 9.3366 126.5752 58.4129 29.5307 178.0998 157 V 4.0575 8.1126 117.7395 64.3127 32.4920 176.6346 158 S 4.3400 8.3030 113.2936 58.6957 63.3016 175.0398 159 G 3.9032 8.0470 108.5908 45.5498 0.0000 173.3447 160 T 4.5794 7.6002 109.6681 60.9935 70.8042 173.6127 161 S 4.9599 8.0345 116.6917 57.6096 66.1542 172.9516 162 G 4.3987 9.0389 104.7581 46.1556 0.0000 172.7000 163 S 4.8659 8.6291 115.4163 57.3881 66.3347 172.3728 164 D 4.6253 8.8276 117.8028 53.7695 45.2068 174.1003 165 D 5.1643 8.8446 123.6994 53.0566 41.8293 176.1479 166 W 4.0022 8.6546 133.5215 58.2932 31.2112 175.0801 167 R 4.7282 7.5865 124.5523 55.7338 33.6678 175.1498 168 S 4.4862 8.9226 119.2154 59.0019 62.3222 169.0860 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 2 A 8.25 4.38 1.08 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 0.00 0.00 0.00 0.00 0.00 3 T 8.60 4.95 4.35 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 1.25 0.00 0.00 4 P 0.00 4.63 0.00 1.50 1.88 0.00 3.47 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 5 A 7.52 5.00 0.56 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 6 Y 8.56 5.04 0.00 2.80 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 *8 S 8.35 4.54 0.00 3.92 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 9 I 8.31 5.05 1.91 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.95 0.94 0.00 0.00 10 T 8.88 4.93 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 11 G 9.92 4.85 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 0.00 0.00 0.00 12 T 8.37 4.04 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 1.24 0.00 0.00 13 K 8.28 4.27 0.00 2.08 1.89 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.50 7.81 14 Q 8.25 4.34 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.94 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 15 G 7.90 3.64 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 0.00 0.00 0.00 16 L 8.31 4.78 0.00 1.74 1.59 0.99 0.97 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 17 I 8.88 3.99 1.91 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 1.38 0.82 0.95 0.00 0.00 18 T 7.80 4.30 4.33 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 1.24 0.00 0.00 19 A 7.62 4.33 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 20 G 9.24 4.44 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 0.00 21 A 8.12 4.40 1.43 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 22 F 8.08 5.08 0.00 3.39 3.15 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 23 T 7.29 4.73 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 1.24 0.00 0.00 24 E 7.58 3.69 0.00 1.71 1.86 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 2.15 1.47 0.00 25 D 7.75 4.28 0.00 2.58 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.62 4.30 0.00 3.84 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 27 V 8.02 4.37 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 1.02 0.00 0.00 0.72 0.00 0.00 28 G 7.70 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 N 8.91 4.26 0.00 2.66 2.83 0.00 0.00 6.86 7.70 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 30 T 7.77 4.12 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 1.70 0.00 0.00 31 Y 8.10 3.55 0.00 2.82 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 32 Q 7.56 4.27 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 33 E 7.34 4.12 0.00 2.24 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 2.16 2.20 0.00 34 G 8.90 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 H 7.93 4.78 0.00 2.60 2.67 0.00 5.82 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 36 E 8.58 4.95 0.00 2.15 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 0.00 2.53 2.82 0.00 37 D 8.09 5.02 0.00 2.65 2.66 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 38 Q 8.24 4.89 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.14 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 39 V 7.55 4.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.94 0.00 0.00 *41 V 8.33 3.85 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 0.89 0.00 0.00 0.84 0.00 0.00 42 Q 9.63 4.56 0.00 1.66 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.43 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 43 G 7.68 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 44 F 8.63 5.23 0.00 3.03 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.02 5.00 0.00 2.84 2.48 0.00 0.00 6.46 7.39 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 46 H 8.59 4.98 0.00 2.99 3.31 0.00 5.81 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 47 E 8.37 4.65 0.00 2.03 1.68 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 2.22 2.27 0.00 48 V 8.28 4.78 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 0.76 0.00 0.00 0.83 0.00 0.00 49 I 8.53 4.65 1.82 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 1.50 0.85 0.00 0.00 50 I 8.08 4.56 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.61 0.89 0.00 0.00 51 P 0.00 4.19 0.00 2.02 2.10 0.00 3.68 0.00 0.00 3.87 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 *63 R 7.56 4.18 0.00 1.92 1.98 0.00 3.18 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 64 V 8.20 4.35 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 0.82 0.00 0.00 0.87 0.00 0.00 65 H 7.87 4.65 0.00 1.54 2.66 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.16 4.65 0.00 1.74 1.75 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.51 7.81 67 P 0.00 4.97 0.00 2.11 2.27 0.00 3.82 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.40 0.00 68 V 9.15 4.09 2.36 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 0.90 0.00 0.00 1.00 0.00 0.00 69 V 8.51 4.78 1.94 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 0.61 0.00 0.00 0.96 0.00 0.00 70 I 8.49 4.88 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 1.58 1.43 1.18 0.00 0.00 71 T 8.11 5.29 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 1.31 0.00 0.00 72 K 9.23 5.22 0.00 1.77 1.89 0.00 1.35 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.49 7.81 73 V 8.13 5.00 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 1.27 0.00 0.00 1.10 0.00 0.00 74 F 8.96 4.57 0.00 2.78 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 75 D 8.78 4.79 0.00 2.80 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 76 K 8.65 4.04 0.00 1.77 1.94 0.00 1.82 0.00 0.00 1.96 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.42 7.81 77 A 8.26 4.17 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 78 S 8.62 4.02 0.00 3.97 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.33 0.00 2.15 2.08 0.00 3.77 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 80 L 8.36 4.00 0.00 1.83 1.85 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.87 4.12 0.00 1.78 1.70 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.83 3.91 0.00 1.83 1.67 0.86 0.74 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 83 A 8.04 4.00 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 84 A 8.29 3.93 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 85 L 8.17 3.98 0.00 1.75 1.83 0.87 0.70 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 86 T 8.30 3.95 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 87 S 8.24 4.45 0.00 4.03 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 88 G 7.64 3.82 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 0.00 0.00 0.00 89 E 7.94 4.10 0.00 2.11 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 90 R 8.73 4.34 0.00 1.92 1.77 0.00 3.36 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 91 L 9.36 4.66 0.00 1.59 1.60 1.14 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.77 3.92 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 1.19 0.00 0.00 93 K 7.98 4.96 0.00 1.77 1.55 0.00 1.51 0.00 0.00 1.52 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.29 7.81 94 V 8.44 4.75 1.71 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 0.34 0.00 0.00 0.53 0.00 0.00 95 E 8.64 5.06 0.00 1.91 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 0.00 2.15 2.20 0.00 96 I 9.06 4.32 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.80 -0.08 0.00 0.00 97 Q 8.96 4.93 0.00 2.10 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.85 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 98 W 9.44 5.10 0.00 2.87 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 9.04 5.60 0.00 3.15 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 0.00 100 R 9.08 4.76 0.00 1.58 1.50 0.00 2.26 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.45 0.00 101 T 8.57 4.85 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 1.22 0.00 0.00 102 S 9.34 4.65 0.00 3.97 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.50 3.88 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 0.00 104 A 8.01 4.35 1.28 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 0.00 0.00 105 G 8.15 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 0.00 106 T 7.82 4.77 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 107 Q 8.76 4.87 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.38 0.00 108 E 9.73 4.91 0.00 2.00 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 2.23 2.32 0.00 109 H 8.91 4.22 0.00 2.37 3.08 0.00 5.68 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 9.19 4.77 0.00 3.07 3.08 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 0.00 0.00 0.00 111 Y 7.11 4.92 0.00 1.56 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 0.00 0.00 0.00 112 T 8.54 5.39 4.14 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 0.00 0.00 0.00 1.27 0.00 0.00 113 T 9.17 5.05 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 114 V 8.21 4.61 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 0.89 0.00 0.00 0.90 0.00 0.00 115 L 9.36 4.83 0.00 1.32 1.43 0.71 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.60 4.90 0.00 1.92 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 2.19 0.00 117 D 8.31 4.42 0.00 2.83 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 0.00 118 A 8.01 4.74 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 0.00 119 I 8.64 4.87 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.60 0.87 0.00 0.00 120 I 8.61 4.24 1.81 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 1.16 0.56 0.71 0.00 0.00 121 V 8.90 4.20 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 0.56 0.00 0.00 0.98 0.00 0.00 122 D 7.43 4.57 0.00 2.61 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 0.00 0.00 0.00 0.00 123 I 8.25 5.14 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 1.12 0.68 0.91 0.00 0.00 124 K 9.01 4.63 0.00 1.80 1.68 0.00 1.47 0.00 0.00 1.35 0.00 0.00 2.48 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.48 1.41 7.81 125 D 8.84 5.56 0.00 2.60 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.39 4.08 0.00 3.09 2.94 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 *128 H 9.11 4.62 0.00 3.14 3.36 0.00 5.95 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 *138 F 7.60 4.37 0.00 3.04 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 0.00 139 T 8.20 4.15 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 0.97 0.00 0.00 140 H 7.80 4.56 0.00 2.62 1.72 0.00 5.63 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.03 5.27 0.00 0.59 0.86 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 142 E 7.85 5.87 0.00 2.02 1.83 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 2.05 1.96 0.00 143 D 8.59 5.29 0.00 2.77 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 0.00 144 V 8.54 4.79 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 0.24 0.00 0.00 0.87 0.00 0.00 145 H 8.83 5.33 0.00 3.01 3.17 0.00 5.65 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 9.52 5.47 0.00 3.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 T 8.63 4.85 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 1.04 0.00 0.00 148 Y 6.36 4.99 0.00 3.06 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 0.00 149 R 8.67 4.28 0.00 1.92 2.11 0.00 3.14 0.00 0.00 3.10 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 150 K 7.98 5.12 0.00 1.89 1.58 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.71 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.33 1.65 7.81 151 I 8.66 4.56 0.85 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.66 0.66 0.00 0.00 152 T 8.00 4.69 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 1.12 0.00 0.00 153 W 9.95 5.11 0.00 3.25 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 0.00 154 T 8.25 4.78 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 1.15 0.00 0.00 155 H 9.33 4.78 0.00 3.32 3.17 0.00 5.77 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 9.34 3.96 0.00 1.80 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 2.03 1.88 0.00 157 V 8.11 4.06 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 0.86 0.00 0.00 1.01 0.00 0.00 158 S 8.30 4.34 0.00 3.57 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 G 8.05 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 T 7.60 4.58 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 1.20 0.00 0.00 161 S 8.03 4.96 0.00 3.90 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 G 9.04 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 0.00 0.00 0.00 0.00 163 S 8.63 4.87 0.00 3.79 3.78 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 0.00 164 D 8.83 4.63 0.00 3.05 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 0.00 165 D 8.84 5.16 0.00 2.68 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 0.00 166 W 8.65 4.00 0.00 3.30 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 R 7.59 4.73 0.00 1.90 1.85 0.00 3.28 0.00 0.00 3.62 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 168 S 8.92 4.49 0.00 3.96 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 * Residues marked with a * may have inaccurate shift predictions.