NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.9026 8.3716 117.1853 51.5348 39.3392 172.9256 3 L 4.0105 8.2963 117.4324 54.1473 41.8282 174.1260 4 P 4.3791 0.0000 0.0000 63.5162 32.3293 176.5043 5 T 4.2188 8.7803 112.6835 60.8626 71.0085 175.4843 6 A 4.0076 8.4541 121.9529 55.5610 18.1320 179.7920 7 Q 3.9540 7.9767 116.0012 59.0676 28.7808 178.5970 8 E 3.9015 7.9125 119.5226 59.1662 29.4021 179.4584 9 V 3.1311 7.9160 118.6576 65.8304 31.5371 178.0922 10 Q 4.0733 7.9056 117.8238 58.9221 28.5421 179.1329 11 G 3.5593 7.7737 106.8014 47.7150 0.0000 175.7802 12 L 3.9895 7.9730 121.7460 57.8993 41.5069 179.6445 13 M 4.2220 8.3546 118.4998 58.1956 31.7301 178.7361 14 A 4.0196 8.1459 121.2100 55.0099 18.5574 179.6358 15 R 3.8076 8.2253 117.3906 59.4097 30.1600 178.2721 16 F 3.9613 8.3093 120.4711 61.6720 39.2583 177.3109 17 I 3.5587 7.6189 119.2639 64.0255 36.7762 178.0350 18 E 3.8534 7.8123 120.2358 59.2975 29.4724 178.9689 19 L 3.8732 7.8170 118.9902 57.6965 41.4056 179.6865 20 V 3.4019 7.1871 117.3527 65.6299 31.4500 177.3477 21 D 4.4153 7.9182 117.2414 57.5938 41.2440 178.5108 22 V 3.8203 7.5286 111.3498 62.0960 31.5815 176.9669 23 G 3.7371 8.0567 105.9614 46.6107 0.0000 174.5113 24 D 4.5495 7.7445 120.5144 52.4222 39.9567 175.3607 25 I 3.6581 7.9884 126.2938 64.1922 37.4109 177.4230 26 E 4.0259 8.1303 118.5459 59.1987 29.1623 179.0383 27 A 4.0535 7.7924 120.3692 54.8355 18.6881 179.5869 28 I 3.6443 7.6514 118.4781 64.6189 37.2143 178.7070 29 V 3.7872 7.8116 119.0256 66.2216 31.0987 177.6502 30 Q 4.1701 7.8584 117.3508 58.6943 29.1403 177.4219 31 M 4.2570 8.2724 119.4806 56.8998 32.0665 175.8237 32 Y 4.6975 7.1861 115.6053 56.5272 39.5397 175.2855 33 A 4.3617 8.6860 125.7124 51.7240 19.4610 178.7465 34 D 4.4783 8.8110 119.3364 55.6668 39.5032 177.6164 35 D 4.6208 7.8242 117.3319 52.4779 40.0067 175.8207 36 A 4.8329 7.9720 121.0956 52.6962 19.9865 177.3657 37 T 5.0432 8.4244 108.8229 59.8305 72.3097 173.0356 38 V 4.7277 8.5066 123.0973 61.2630 35.0147 174.0206 39 E 4.7365 9.1994 127.5735 54.4816 31.3209 174.1019 40 D 5.0101 8.1189 123.3083 51.6667 44.0520 173.0282 41 P 4.5859 0.0000 0.0000 61.5956 33.2618 175.5393 42 F 4.1093 8.8407 124.7511 58.5402 39.5141 174.0683 43 G 3.1740 7.5694 118.3879 45.4373 0.0000 173.9501 44 Q 4.3453 7.0598 118.3571 53.1266 30.2996 173.7717 45 P 4.2265 0.0000 0.0000 62.5004 31.6760 174.4558 46 P 4.7589 0.0000 0.0000 62.7531 32.6256 175.1941 47 I 4.4319 8.3033 114.9348 59.6626 39.9590 173.7953 48 H 5.1409 8.8469 124.3666 55.4647 32.2589 174.2374 49 G 4.1212 8.9995 110.5992 45.9725 0.0000 174.5678 50 R 3.9177 8.2900 119.2813 59.0171 29.9670 179.2057 51 E 3.9252 8.1264 118.4740 59.6271 29.8108 178.8354 52 Q 4.0617 8.0310 117.4515 58.9924 28.7568 178.8093 53 I 3.7699 7.9590 120.7788 64.1679 37.0140 178.3004 54 A 4.1267 8.5476 121.9543 55.1622 18.2309 179.5422 55 A 3.9563 8.1064 119.3480 55.0794 18.3322 179.5853 56 F 4.0103 8.2422 119.1330 61.9209 39.5524 177.1604 57 Y 3.7826 8.2967 116.2086 60.7114 37.3841 178.3874 58 R 3.9506 8.1721 119.5937 59.1489 30.2352 178.0553 59 Q 4.1358 7.8973 118.9566 59.1208 29.1905 178.0493 60 G 3.3979 7.8950 105.8902 45.8660 0.0000 173.6575 61 L 4.5312 7.0954 119.4050 52.9141 43.6556 176.4752 *65 K 4.1470 8.3702 121.2324 55.7956 33.5319 175.0078 66 V 4.5824 7.6579 117.3265 61.4900 33.1074 174.9487 67 R 4.8690 8.6919 123.9938 54.3286 31.6952 174.5034 68 A 5.5197 8.6634 124.8866 50.2673 22.0402 175.0742 69 C 4.8073 8.9270 114.7163 56.4530 33.5014 173.7612 70 L 4.6032 8.7589 122.6082 55.4749 41.7203 177.0392 71 T 4.4615 8.4649 112.4634 61.0239 69.2847 173.7929 72 G 4.0301 7.3293 109.5292 44.4012 0.0000 171.4602 73 P 4.4166 0.0000 0.0000 62.2887 31.8986 176.0971 74 V 3.8954 8.1559 120.2182 62.9315 32.4404 175.2768 75 R 4.5606 9.1771 127.7251 55.0984 31.4193 175.3299 76 A 5.2112 8.5736 125.3785 50.2392 22.2229 175.4153 77 S 4.6335 8.6353 116.1404 57.4121 65.6536 173.5844 78 H 4.8004 8.7889 115.1739 56.1014 28.9364 175.2531 79 N 4.8905 7.9542 116.9510 52.6242 37.7718 175.1421 80 G 3.9496 8.4198 104.4500 47.5820 0.0000 173.2669 81 C 5.5298 7.5520 115.1822 58.0297 32.3137 173.0743 82 G 4.6100 8.8042 106.0049 45.8952 0.0000 171.9616 83 A 5.4698 9.2820 121.5450 50.5829 23.0628 175.3043 84 M 5.2472 9.2077 117.9914 53.1829 35.3572 171.9641 85 P 5.4644 0.0000 0.0000 61.6885 33.8242 174.2155 86 F 5.4940 8.8422 117.2023 55.9969 42.0920 172.5986 87 R 5.0054 9.1463 119.4470 54.4805 33.1544 174.1928 88 V 4.9208 8.6911 125.5085 61.2043 34.3780 173.7568 89 E 5.1638 9.4748 128.1666 54.9146 31.6931 175.0686 90 M 5.0286 9.3080 121.3914 53.8064 35.7216 174.7664 91 V 4.3393 8.2127 118.9005 60.1878 31.4268 172.8138 92 W 4.3563 8.8943 133.0963 57.5353 30.6463 175.4901 93 N 4.2397 9.9277 125.9499 54.1574 35.2700 173.6215 94 G 4.2220 8.1203 108.2986 45.2939 0.0000 172.3574 95 Q 4.3246 7.4552 121.9631 53.5556 29.7076 173.1828 96 P 4.8039 0.0000 0.0000 63.1440 32.3548 175.1026 97 C 5.1076 9.5099 114.9415 57.1288 33.4191 172.4758 98 A 5.2606 9.0624 121.8708 50.1725 22.4182 175.0839 99 L 4.9020 8.6947 121.3078 53.4607 45.3934 174.9479 100 D 4.9865 8.6390 127.0327 53.4968 41.7746 176.2593 101 V 4.7074 8.3969 122.7052 61.0906 35.9520 173.9617 102 I 5.0561 8.4559 124.6622 59.7440 40.6735 174.0379 103 D 5.5903 9.2493 127.1748 52.7480 43.3847 175.5383 104 V 4.9105 9.0538 123.2678 61.4413 34.1812 174.1759 105 M 5.0961 9.0953 126.9956 53.3712 36.2464 174.3773 106 R 5.0099 8.3794 122.0179 54.6879 32.8866 174.6305 107 F 5.1821 9.2933 125.6426 56.2305 41.5022 175.3477 108 D 4.8112 8.8884 121.7303 51.7486 41.4160 176.9871 109 E 4.2396 8.5527 114.0566 57.9026 29.2283 177.2994 110 H 4.8094 8.7039 115.6370 55.5655 29.9140 174.9636 111 G 3.9162 8.6099 107.7701 45.6160 0.0000 173.5481 112 R 4.8271 7.9206 117.6891 53.8985 32.5304 175.4357 113 I 3.5848 8.1990 122.0190 61.6462 37.4610 176.6701 114 Q 4.2079 9.3224 130.2955 58.4583 30.3442 175.6427 115 T 5.1729 7.4879 107.0612 60.4434 72.7427 172.5260 116 M 5.2896 8.7962 121.8760 54.2847 36.3284 173.5001 117 Q 5.0541 9.3174 124.1406 54.0196 32.7623 173.9779 118 A 5.2935 8.9207 125.8043 50.5453 21.8463 174.7366 119 Y 4.8057 9.2137 122.0709 56.8893 39.4503 175.2005 120 W 4.9124 8.5667 120.1981 57.3327 30.5672 173.5629 121 S 4.2960 8.1594 113.4059 57.8410 64.9220 174.9540 122 E 4.0801 8.8134 118.5317 59.7411 29.2227 179.8372 123 V 3.7772 7.4359 109.9251 63.6736 31.7291 176.4178 124 N 4.8826 8.5079 116.3355 52.8964 39.6095 174.1305 125 L 4.7519 7.6679 121.3449 53.8686 43.9379 176.3768 126 S 4.6870 9.1518 121.1947 56.8456 66.1462 174.7742 127 V 4.2079 8.4001 123.4480 61.6436 31.3754 175.7803 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 N 8.37 4.90 0.00 2.76 2.72 0.00 0.00 6.64 6.90 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 3 L 8.30 4.01 0.00 1.66 1.64 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.38 0.00 1.90 1.80 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.57 0.00 5 T 8.78 4.22 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 1.19 0.00 0.00 6 A 8.45 4.01 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 7 Q 7.98 3.95 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 8 E 7.91 3.90 0.00 2.10 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 2.26 2.25 0.00 9 V 7.92 3.13 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 1.20 0.00 0.00 0.79 0.00 0.00 10 Q 7.91 4.07 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 11 G 7.77 3.56 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 0.00 12 L 7.97 3.99 0.00 1.52 1.69 0.26 0.98 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 13 M 8.35 4.22 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.74 0.00 14 A 8.15 4.02 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 15 R 8.23 3.81 0.00 1.97 2.15 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 16 F 8.31 3.96 0.00 3.27 3.20 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 17 I 7.62 3.56 1.95 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.58 0.86 0.00 0.00 18 E 7.81 3.85 0.00 2.25 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 2.28 2.37 0.00 19 L 7.82 3.87 0.00 1.55 1.47 0.83 0.55 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 20 V 7.19 3.40 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 0.78 0.00 0.00 0.42 0.00 0.00 21 D 7.92 4.42 0.00 2.87 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 22 V 7.53 3.82 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 0.79 0.00 0.00 0.99 0.00 0.00 23 G 8.06 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 24 D 7.74 4.55 0.00 2.67 2.51 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 25 I 7.99 3.66 1.87 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 1.66 0.90 0.95 0.00 0.00 26 E 8.13 4.03 0.00 2.00 2.00 0.00 0.00 0.00 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 2.37 0.00 27 A 7.79 4.05 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 28 I 7.65 3.64 1.77 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.58 0.22 0.00 0.00 29 V 7.81 3.79 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 1.06 0.00 0.00 1.06 0.00 0.00 30 Q 7.86 4.17 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 31 M 8.27 4.26 0.00 2.12 2.34 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.62 0.00 32 Y 7.19 4.70 0.00 3.16 2.88 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 33 A 8.69 4.36 1.31 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 0.00 0.00 34 D 8.81 4.48 0.00 2.86 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 35 D 7.82 4.62 0.00 2.80 2.77 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 36 A 7.97 4.83 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.42 5.04 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 1.27 0.00 0.00 38 V 8.51 4.73 1.74 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 0.60 0.00 0.00 0.73 0.00 0.00 39 E 9.20 4.74 0.00 1.96 1.78 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 2.12 2.17 0.00 40 D 8.12 5.01 0.00 2.56 2.34 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 41 P 0.00 4.59 0.00 1.28 0.49 0.00 3.84 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 1.64 1.15 0.00 42 F 8.84 4.11 0.00 2.35 2.40 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 43 G 7.57 3.17 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 44 Q 7.06 4.35 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 45 P 0.00 4.23 0.00 2.10 1.99 0.00 3.66 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 1.92 1.90 0.00 46 P 0.00 4.76 0.00 2.05 2.02 0.00 3.67 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 1.93 1.91 0.00 47 I 8.30 4.43 1.78 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.67 0.78 0.00 0.00 48 H 8.85 5.14 0.00 3.13 3.16 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.00 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 0.00 0.00 0.00 50 R 8.29 3.92 0.00 1.92 2.04 0.00 3.17 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 51 E 8.13 3.93 0.00 2.05 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 2.40 2.42 0.00 52 Q 8.03 4.06 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 53 I 7.96 3.77 1.79 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.58 0.77 0.00 0.00 54 A 8.55 4.13 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 55 A 8.11 3.96 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 56 F 8.24 4.01 0.00 3.05 3.17 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 57 Y 8.30 3.78 0.00 3.22 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 58 R 8.17 3.95 0.00 1.96 1.97 0.00 3.28 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 59 Q 7.90 4.14 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 60 G 7.90 3.40 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 61 L 7.10 4.53 0.00 1.79 1.58 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 *65 K 8.37 4.15 0.00 1.74 1.85 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.39 7.81 66 V 7.66 4.58 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 0.87 0.00 0.00 0.90 0.00 0.00 67 R 8.69 4.87 0.00 2.05 2.00 0.00 2.77 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 68 A 8.66 5.52 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 69 C 8.93 4.81 0.00 3.01 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 70 L 8.76 4.60 0.00 1.70 1.72 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.46 4.46 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 72 G 7.33 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.42 0.00 2.20 2.08 0.00 3.79 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 2.00 1.96 0.00 74 V 8.16 3.90 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 0.83 0.00 0.00 0.97 0.00 0.00 75 R 9.18 4.56 0.00 1.98 1.83 0.00 3.23 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 76 A 8.57 5.21 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 77 S 8.64 4.63 0.00 3.85 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 78 H 8.79 4.80 0.00 3.17 3.36 0.00 5.66 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.95 4.89 0.00 2.82 2.89 0.00 0.00 6.14 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.42 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 81 C 7.55 5.53 0.00 2.92 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 82 G 8.80 4.61 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 83 A 9.28 5.47 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 84 M 9.21 5.25 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.61 0.00 85 P 0.00 5.46 0.00 2.17 2.24 0.00 3.80 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 86 F 8.84 5.49 0.00 3.38 3.17 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 87 R 9.15 5.01 0.00 1.89 1.81 0.00 3.05 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 88 V 8.69 4.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.17 0.00 0.00 89 E 9.47 5.16 0.00 1.90 1.84 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 0.00 2.24 2.24 0.00 90 M 9.31 5.03 0.00 1.91 2.11 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 91 V 8.21 4.34 2.12 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 0.86 0.00 0.00 0.95 0.00 0.00 92 W 8.89 4.36 0.00 3.33 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 N 9.93 4.24 0.00 2.37 2.61 0.00 0.00 7.25 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 94 G 8.12 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 0.00 0.00 0.00 0.00 95 Q 7.46 4.32 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 96 P 0.00 4.80 0.00 2.24 2.06 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 2.01 1.96 0.00 97 C 9.51 5.11 0.00 3.11 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 98 A 9.06 5.26 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 99 L 8.69 4.90 0.00 1.47 1.22 0.75 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.64 4.99 0.00 2.60 2.54 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 0.00 101 V 8.40 4.71 0.70 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 1.20 0.00 0.00 0.57 0.00 0.00 102 I 8.46 5.06 1.94 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 1.26 0.49 0.94 0.00 0.00 103 D 9.25 5.59 0.00 3.01 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 0.00 104 V 9.05 4.91 2.20 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 1.08 0.00 0.00 1.01 0.00 0.00 105 M 9.10 5.10 0.00 1.24 1.64 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.08 0.00 106 R 8.38 5.01 0.00 1.83 1.67 0.00 3.07 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 107 F 9.29 5.18 0.00 2.89 2.95 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 0.00 108 D 8.89 4.81 0.00 2.83 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 0.00 109 E 8.55 4.24 0.00 2.08 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 2.02 2.17 0.00 110 H 8.70 4.81 0.00 3.32 3.36 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.61 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 0.00 0.00 0.00 112 R 7.92 4.83 0.00 2.09 1.98 0.00 3.29 0.00 0.00 3.51 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.69 0.00 113 I 8.20 3.58 1.26 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.36 0.50 0.00 0.00 114 Q 9.32 4.21 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 115 T 7.49 5.17 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 1.21 0.00 0.00 116 M 8.80 5.29 0.00 2.21 1.90 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 117 Q 9.32 5.05 0.00 1.96 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.49 2.30 0.00 118 A 8.92 5.29 1.59 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 0.00 0.00 119 Y 9.21 4.81 0.00 2.96 2.95 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 0.00 120 W 8.57 4.91 0.00 3.34 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 0.00 121 S 8.16 4.30 0.00 3.90 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 0.00 122 E 8.81 4.08 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 123 V 7.44 3.78 2.12 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 0.69 0.00 0.00 0.99 0.00 0.00 124 N 8.51 4.88 0.00 2.98 3.00 0.00 0.00 6.38 7.37 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 0.00 125 L 7.67 4.75 0.00 1.68 1.77 0.93 0.65 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 0.00 126 S 9.15 4.69 0.00 3.77 3.76 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 0.00 127 V 8.40 4.21 2.34 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 0.90 0.00 0.00 1.18 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.