NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.2414 8.1849 120.6336 53.6122 43.1594 176.2519 8 P 4.3202 0.0000 0.0000 61.0440 31.9834 173.4336 9 P 4.2437 0.0000 0.0000 64.9769 32.3566 176.8304 10 G 3.5392 9.1820 111.5664 44.3946 0.0000 172.1662 11 W 5.0721 7.4921 119.5485 55.5164 30.4181 175.8176 12 E 4.9631 9.8423 123.1246 54.4462 33.7916 174.5561 13 K 4.3532 8.7746 123.6337 56.0643 33.4723 175.4598 14 A 4.6200 8.2161 127.5502 50.4668 23.4499 173.7235 15 M 5.0032 8.2406 118.0798 53.5837 34.4884 175.4584 16 S 4.3648 9.6545 122.0282 58.7661 63.0442 175.0517 17 R 4.1388 8.8670 127.0452 58.5402 30.4389 177.2480 18 S 4.4902 8.1855 112.7969 60.0739 63.5425 174.9433 19 S 4.4747 8.3108 114.7534 57.8001 64.1202 175.6353 20 G 4.0114 8.2308 106.3625 45.4046 0.0000 173.6533 21 R 4.3048 7.6373 119.3550 55.5212 31.3856 176.3072 22 V 4.3322 8.5813 123.3951 63.8602 32.5506 174.4755 23 Y 5.0318 8.3714 123.3055 56.2233 42.0186 172.7312 24 Y 5.0930 9.4014 115.6963 56.5083 42.1731 174.8056 25 F 5.5766 9.7884 125.0644 56.4450 43.5820 172.8481 26 N 4.5527 7.4564 124.2814 51.5640 40.3632 174.2953 27 H 4.2132 8.4538 122.2032 56.8579 28.7569 176.3347 28 I 4.0308 7.6970 120.1779 62.6400 37.9170 176.5345 29 T 4.1584 7.3759 107.6364 60.4748 69.7441 174.7385 30 N 4.2228 8.0068 118.6065 54.0199 37.1501 173.6649 31 A 4.6035 7.2843 120.4679 52.0096 19.8116 177.5300 32 S 5.6662 8.5361 113.6157 57.1943 66.2637 173.2072 33 Q 4.5678 9.3889 119.4008 54.9495 31.7140 175.7289 34 W 4.5755 8.8687 120.9756 60.1078 29.4299 177.3229 35 E 4.2220 8.2292 116.4602 55.8641 29.5176 176.7736 36 R 2.5100 8.2256 123.4273 54.7150 30.6785 174.5483 37 P 3.7805 0.0000 0.0000 61.8201 31.7237 175.1829 38 S 5.0897 8.0818 118.2222 57.1634 64.3220 175.0093 *51 E 4.0910 8.1137 124.0983 55.0473 29.8758 173.9532 52 P 4.4065 0.0000 0.0000 62.6376 31.8834 176.4000 53 A 4.2255 8.6309 122.9663 54.8660 18.6414 178.1147 54 R 5.0972 7.6804 112.1184 54.7594 34.3223 175.3367 55 V 4.3425 7.8262 113.6634 59.4212 36.5598 174.2640 56 R 4.9275 8.2094 122.1157 53.9228 32.7611 174.3472 57 C 5.3632 8.7069 121.9586 58.3477 33.1949 173.1762 58 S 5.5877 8.8804 117.7635 57.6389 65.4448 172.5909 59 H 5.9668 9.5088 116.5099 54.5977 32.8643 171.6724 60 L 4.8528 9.2452 120.3206 53.1471 44.8430 174.4796 61 L 4.9682 8.8641 128.8926 53.3216 44.4725 174.9403 62 V 4.7379 8.8488 126.5912 61.0842 33.5540 175.0956 63 K 4.6353 8.9088 128.0701 56.3402 33.3812 175.8103 64 H 4.9617 8.7368 117.2740 53.7485 31.7779 174.3042 65 S 4.0907 9.0631 113.9703 61.1855 62.5364 175.2002 66 Q 4.4942 8.1565 117.5841 55.5523 28.7851 175.8557 67 S 4.4076 7.9315 115.4976 58.2044 63.4109 174.6078 68 R 4.0021 8.9716 120.5736 58.7693 29.0131 176.8916 69 R 4.4211 7.5537 117.0431 53.2348 31.6534 174.0915 70 P 4.6190 0.0000 0.0000 61.1891 30.1814 176.3782 71 S 4.8787 7.3247 111.2633 57.8880 66.0079 172.4788 72 S 4.6482 9.0417 120.6994 56.3815 65.9672 174.6550 73 W 4.4669 8.9080 117.2277 59.5758 27.3882 177.4655 74 R 3.4276 6.9916 116.7167 57.6229 29.9886 176.5656 75 Q 4.2362 7.7938 117.1956 55.0084 31.9983 173.7345 76 E 3.8260 9.1954 127.4194 58.4457 29.6885 176.7110 77 K 4.5508 7.7433 118.6924 54.3447 34.0905 174.9206 78 I 4.1574 8.8574 128.9393 60.8701 37.6943 175.9673 79 T 4.5424 8.2902 113.6905 61.0106 70.8187 174.5809 80 R 4.1295 7.9633 119.0664 56.7600 29.7995 176.1129 81 T 4.3788 9.1028 111.0603 60.9639 71.1203 175.5773 82 K 3.6254 8.5825 123.0597 60.1779 32.0482 178.4102 83 E 4.0246 8.1137 118.5424 59.1099 29.6254 178.3537 84 E 3.9972 7.9326 118.8242 58.8946 29.5251 178.8824 85 A 3.9441 8.2550 121.2716 55.1209 18.3729 179.4886 86 L 3.8434 7.9659 118.8501 58.0441 42.1466 178.7561 87 E 3.8480 8.1608 119.4479 59.0802 29.5570 178.7287 88 L 3.4686 7.7079 118.9160 57.6557 41.5748 179.3515 89 I 3.6802 7.5527 119.5644 64.6891 37.1256 178.1595 90 N 4.4077 8.4179 117.4795 56.2284 38.3346 177.6690 91 G 3.5307 7.8739 107.0224 48.1649 0.0000 175.4234 92 Y 4.5044 7.7382 119.3764 60.7523 37.8062 178.5426 93 I 3.8843 8.2698 121.2833 64.4045 37.1373 178.4051 94 Q 4.0638 8.2446 118.9423 59.0571 28.5825 179.1647 95 K 4.0667 8.2374 119.4925 59.3247 32.0582 179.6197 96 I 4.4366 7.9587 121.5314 64.1072 36.8929 178.7399 97 K 4.1514 8.3594 118.6343 59.1891 31.9854 179.1399 98 S 4.3893 8.3479 113.2476 58.9521 63.2056 175.4223 99 G 3.9651 7.8913 110.2772 45.6958 0.0000 174.1949 100 E 4.1189 8.0594 120.8529 58.4299 30.1844 176.8346 101 E 4.8055 8.3161 116.6475 53.7533 33.7693 174.3014 102 D 5.1641 8.2642 120.8924 51.7982 42.9253 177.1644 103 F 3.9353 8.8164 122.3651 61.9140 39.1788 177.3972 104 E 4.1099 8.3110 117.4024 59.3658 29.3276 179.1994 105 S 3.9743 8.0456 113.2164 61.3298 62.5117 176.1960 106 L 3.7829 7.7500 121.5059 57.4261 41.2381 179.3636 107 A 3.6949 7.9179 121.0286 55.1586 17.7811 179.5469 108 S 4.1861 7.9868 113.8584 62.2311 62.7234 177.2484 109 Q 3.9033 7.4779 118.7862 57.7287 28.4994 176.9503 110 F 5.0198 7.6680 114.9544 56.8944 41.1320 175.5950 111 S 4.4427 8.1326 116.1197 58.5206 62.5608 173.2394 112 D 4.5184 9.0861 126.7044 54.4103 40.9204 175.7742 113 C 4.8772 7.7363 120.2627 57.5845 33.8007 174.6185 114 S 4.2564 8.6016 119.4692 60.5927 62.7002 176.0818 115 S 4.2946 8.1583 117.3240 60.0409 62.6837 175.4784 116 A 3.9664 8.0875 125.5848 55.5955 17.8548 179.5569 117 K 3.8849 7.6810 114.7322 57.9302 32.3541 177.5841 118 A 4.6352 7.5983 122.2748 51.8382 19.5421 176.8418 119 R 3.8011 8.3141 114.9135 58.0596 28.2490 178.0415 120 G 4.1680 8.4853 105.3509 46.3988 0.0000 173.6182 121 D 5.0280 7.8443 119.5897 53.7699 41.4699 175.8591 122 L 4.3871 8.8068 125.8614 53.8862 42.5798 177.8341 123 G 3.8688 8.7136 109.1644 44.3702 0.0000 172.1981 124 A 4.6337 8.3105 119.9540 51.4562 19.9164 177.1761 125 F 5.2555 8.7017 115.2449 55.6446 41.8296 173.4159 126 S 5.6421 9.4605 114.8232 56.2860 66.3009 173.6217 127 R 4.1981 8.2332 118.6707 57.5595 30.1157 177.4601 128 G 4.0089 9.1850 109.2474 45.5802 0.0000 173.9441 129 Q 4.4341 7.6513 117.9768 56.6386 30.8274 176.0194 130 M 4.3504 7.6427 115.2332 53.2423 34.1157 176.0578 131 Q 4.0034 8.3691 118.3888 56.6028 30.4037 178.3075 132 K 3.9447 8.7666 124.7430 59.4154 32.3581 177.3368 133 P 4.3887 0.0000 0.0000 65.2920 31.2864 178.3038 134 F 3.8147 8.2276 119.1380 61.2054 39.2765 176.6640 135 E 4.3216 8.7572 119.2569 59.5264 29.2878 178.4482 136 D 4.4095 8.5540 117.7941 57.3724 41.3419 178.2115 137 A 4.0483 8.0163 121.1757 55.3071 18.3560 179.8540 138 S 3.9417 8.0573 113.4775 61.7734 62.7969 176.7007 139 F 4.1676 8.6780 118.0204 58.9243 38.8159 176.4261 140 A 4.5028 7.5410 118.7520 51.4259 19.9491 177.1632 141 L 4.1931 6.7962 116.0614 54.3472 42.5741 177.0727 142 R 4.4124 10.2367 121.3925 54.7284 31.6251 176.2596 143 T 3.9230 8.0986 116.1440 65.5094 68.6941 174.4451 144 G 3.9985 9.1889 114.8129 45.0775 0.0000 173.5186 145 E 4.5551 8.1602 118.9127 55.5393 31.5884 175.0461 146 M 5.1735 8.3675 121.0087 53.7175 34.9809 175.4786 147 S 4.3579 8.9866 120.7686 57.8762 64.6400 174.2855 148 G 4.2953 8.1785 109.6220 43.8859 0.0000 171.1264 149 P 4.5627 0.0000 0.0000 62.5813 32.2190 176.2499 150 V 4.5470 8.6697 124.2467 61.1291 34.2929 173.9526 151 F 5.3080 9.2675 126.5157 56.2068 40.9312 175.0660 152 T 4.8721 8.9220 112.2290 59.8394 72.2394 174.2820 153 D 4.4779 8.7335 119.8072 57.4275 40.9273 179.4508 154 S 4.3094 7.9896 114.6659 59.5005 63.8644 175.1333 155 G 3.7467 6.5361 108.8343 45.6174 0.0000 170.8231 156 I 4.6585 8.4584 123.9896 59.8345 39.7841 174.8233 157 H 5.5480 9.3336 123.3098 54.1389 32.4389 172.8251 158 I 4.8850 8.8551 122.4335 59.7581 39.6658 174.6687 159 I 5.0232 9.1072 127.6832 59.3249 40.4678 174.2363 160 L 4.8012 8.8369 128.1783 53.0697 44.7742 174.9741 161 R 4.5768 8.7272 127.9712 56.0118 30.5419 176.5258 162 T 4.5789 8.8279 117.1716 62.4807 70.8198 174.8235 163 E 4.1598 7.6619 126.4684 56.7679 30.5867 174.6195 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 7 L 8.18 4.24 0.00 1.78 1.72 1.14 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.32 0.00 2.50 2.06 0.00 3.51 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00 9 P 0.00 4.24 0.00 2.05 2.05 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 10 G 9.18 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.49 5.07 0.00 3.32 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 12 E 9.84 4.96 0.00 1.92 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 2.38 2.53 0.00 13 K 8.77 4.35 0.00 1.81 1.65 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.10 0.79 7.81 14 A 8.22 4.62 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.24 5.00 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 16 S 9.65 4.36 0.00 4.32 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 0.00 17 R 8.87 4.14 0.00 1.83 1.95 0.00 3.33 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 18 S 8.19 4.49 0.00 3.97 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.31 4.47 0.00 4.03 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 20 G 8.23 4.01 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 0.00 0.00 0.00 21 R 7.64 4.30 0.00 1.70 1.93 0.00 2.89 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 22 V 8.58 4.33 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 0.56 0.00 0.00 0.92 0.00 0.00 23 Y 8.37 5.03 0.00 3.10 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 24 Y 9.40 5.09 0.00 2.97 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 25 F 9.79 5.58 0.00 3.17 2.92 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 26 N 7.46 4.55 0.00 1.44 1.42 0.00 0.00 6.85 7.59 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 27 H 8.45 4.21 0.00 3.21 3.57 0.00 5.79 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 28 I 7.70 4.03 1.73 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.26 0.89 0.00 0.00 29 T 7.38 4.16 4.06 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 0.99 0.00 0.00 30 N 8.01 4.22 0.00 3.09 3.08 0.00 0.00 6.80 7.01 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 31 A 7.28 4.60 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 32 S 8.54 5.67 0.00 4.01 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 0.00 33 Q 9.39 4.57 0.00 2.38 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 34 W 8.87 4.58 0.00 3.42 3.34 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 35 E 8.23 4.22 0.00 1.93 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 2.36 2.44 0.00 36 R 8.23 2.51 0.00 1.23 1.54 0.00 3.10 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.84 0.00 37 P 0.00 3.78 0.00 1.18 0.49 0.00 2.60 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.83 0.00 38 S 8.08 5.09 0.00 3.82 3.86 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 *51 E 8.11 4.09 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 52 P 0.00 4.41 0.00 2.45 2.04 0.00 3.93 0.00 0.00 3.69 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 53 A 8.63 4.23 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 54 R 7.68 5.10 0.00 1.62 1.71 0.00 3.18 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 55 V 7.83 4.34 1.49 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 -0.08 0.00 0.00 -0.56 0.00 0.00 56 R 8.21 4.93 0.00 1.75 1.63 0.00 3.05 0.00 0.00 3.24 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 57 C 8.71 5.36 0.00 3.33 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.88 5.59 0.00 3.67 4.08 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 59 H 9.51 5.97 0.00 3.67 3.80 0.00 5.22 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 60 L 9.25 4.85 0.00 1.38 1.55 0.50 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.86 4.97 0.00 1.71 1.45 0.77 0.88 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 62 V 8.85 4.74 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 0.91 0.00 0.00 1.09 0.00 0.00 63 K 8.91 4.64 0.00 1.77 1.64 0.00 1.72 0.00 0.00 1.91 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.64 1.33 7.81 64 H 8.74 4.96 0.00 3.37 3.39 0.00 5.47 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 65 S 9.06 4.09 0.00 3.96 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.16 4.49 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.03 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 67 S 7.93 4.41 0.00 3.82 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 68 R 8.97 4.00 0.00 1.87 2.23 0.00 3.32 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 69 R 7.55 4.42 0.00 1.76 1.88 0.00 3.21 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 70 P 0.00 4.62 0.00 2.28 2.21 0.00 3.43 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 2.06 2.06 0.00 71 S 7.32 4.88 0.00 3.79 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 72 S 9.04 4.65 0.00 3.97 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 73 W 8.91 4.47 0.00 3.55 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 6.99 3.43 0.00 1.35 1.43 0.00 2.88 0.00 0.00 2.98 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.79 4.24 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.74 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 76 E 9.20 3.83 0.00 1.96 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 2.29 2.32 0.00 77 K 7.74 4.55 0.00 1.69 1.63 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.40 7.81 78 I 8.86 4.16 1.85 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 1.38 0.60 0.87 0.00 0.00 79 T 8.29 4.54 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 1.25 0.00 0.00 80 R 7.96 4.13 0.00 2.07 2.10 0.00 3.13 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 81 T 9.10 4.38 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 1.20 0.00 0.00 82 K 8.58 3.63 0.00 1.55 1.82 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.51 7.81 83 E 8.11 4.02 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 84 E 7.93 4.00 0.00 2.15 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 85 A 8.25 3.94 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 86 L 7.97 3.84 0.00 1.87 1.85 0.98 0.81 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 87 E 8.16 3.85 0.00 2.22 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 88 L 7.71 3.47 0.00 1.67 1.14 0.82 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.55 3.68 1.94 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 1.60 0.88 0.90 0.00 0.00 90 N 8.42 4.41 0.00 2.79 2.85 0.00 0.00 6.99 7.44 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 91 G 7.87 3.53 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 92 Y 7.74 4.50 0.00 3.23 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 93 I 8.27 3.88 2.06 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 1.63 0.88 0.98 0.00 0.00 94 Q 8.24 4.06 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 95 K 8.24 4.07 0.00 2.07 1.94 0.00 1.89 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.62 7.81 96 I 7.96 4.44 2.13 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 1.66 1.94 1.06 0.00 0.00 97 K 8.36 4.15 0.00 1.83 1.94 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.66 7.81 98 S 8.35 4.39 0.00 4.06 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 99 G 7.89 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 0.00 100 E 8.06 4.12 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 101 E 8.32 4.81 0.00 2.06 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 2.28 2.45 0.00 102 D 8.26 5.16 0.00 2.98 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 0.00 103 F 8.82 3.94 0.00 3.24 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 0.00 104 E 8.31 4.11 0.00 2.15 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 2.49 2.65 0.00 105 S 8.05 3.97 0.00 3.80 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.75 3.78 0.00 1.43 1.26 0.97 0.84 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 0.00 107 A 7.92 3.69 0.91 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 0.00 0.00 108 S 7.99 4.19 0.00 3.87 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 0.00 109 Q 7.48 3.90 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 110 F 7.67 5.02 0.00 2.70 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 0.00 111 S 8.13 4.44 0.00 3.81 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 0.00 112 D 9.09 4.52 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 C 7.74 4.88 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 0.00 114 S 8.60 4.26 0.00 4.04 4.15 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 0.00 115 S 8.16 4.29 0.00 4.28 4.21 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 0.00 116 A 8.09 3.97 1.58 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 0.00 0.00 117 K 7.68 3.88 0.00 1.61 1.70 0.00 1.22 0.00 0.00 1.16 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.32 7.81 118 A 7.60 4.64 1.26 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 0.00 0.00 0.00 119 R 8.31 3.80 0.00 2.05 2.08 0.00 3.16 0.00 0.00 3.10 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 120 G 8.49 4.17 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 0.00 121 D 7.84 5.03 0.00 2.71 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.81 4.39 0.00 2.02 1.74 0.77 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.71 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.31 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.70 5.26 0.00 3.18 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 0.00 126 S 9.46 5.64 0.00 4.00 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 0.00 127 R 8.23 4.20 0.00 1.60 1.78 0.00 2.87 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.50 0.00 128 G 9.18 4.01 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 0.00 0.00 0.00 129 Q 7.65 4.43 0.00 1.91 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 130 M 7.64 4.35 0.00 1.80 2.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.98 0.00 131 Q 8.37 4.00 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 132 K 8.77 3.94 0.00 1.89 1.84 0.00 1.61 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.74 7.81 133 P 0.00 4.39 0.00 2.38 2.16 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 134 F 8.23 3.81 0.00 3.08 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 0.00 135 E 8.76 4.32 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 136 D 8.55 4.41 0.00 2.71 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 0.00 137 A 8.02 4.05 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 0.00 138 S 8.06 3.94 0.00 4.27 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 0.00 139 F 8.68 4.17 0.00 3.16 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 0.00 140 A 7.54 4.50 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 0.00 141 L 6.80 4.19 0.00 1.73 1.55 0.84 0.87 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 0.00 142 R 10.24 4.41 0.00 2.15 1.83 0.00 3.22 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 143 T 8.10 3.92 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 1.16 0.00 0.00 144 G 9.19 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.16 4.56 0.00 2.04 1.90 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 2.34 2.27 0.00 146 M 8.37 5.17 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 147 S 8.99 4.36 0.00 4.00 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 0.00 148 G 8.18 4.30 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 0.00 149 P 0.00 4.56 0.00 1.99 1.86 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 150 V 8.67 4.55 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 1.02 0.00 0.00 0.93 0.00 0.00 151 F 9.27 5.31 0.00 2.96 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 0.00 152 T 8.92 4.87 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 1.38 0.00 0.00 153 D 8.73 4.48 0.00 2.76 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 0.00 154 S 7.99 4.31 0.00 3.95 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 0.00 155 G 6.54 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 0.00 156 I 8.46 4.66 1.70 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 0.47 0.51 0.38 0.00 0.00 157 H 9.33 5.55 0.00 3.11 3.45 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.86 4.89 2.16 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.81 1.16 0.00 0.00 159 I 9.11 5.02 1.71 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.67 0.72 0.00 0.00 160 L 8.84 4.80 0.00 0.66 0.69 0.83 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.73 4.58 0.00 1.79 1.83 0.00 3.15 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 162 T 8.83 4.58 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 1.13 0.00 0.00 163 E 7.66 4.16 0.00 1.90 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 2.25 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.