NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.6624 8.4104 110.3333 62.0697 69.9704 172.6039 4 A 3.9666 8.4566 130.9435 51.9310 16.0833 177.8932 5 Y 4.6295 8.0393 111.6551 58.2522 39.4946 174.6738 6 D 4.6928 7.7905 120.2825 55.1490 42.0376 178.8777 7 V 3.5352 7.5574 119.5226 65.3997 31.5947 175.4363 8 I 4.3923 7.3880 122.2804 59.4134 35.2396 175.1415 9 L 4.1176 7.8681 123.9595 56.9713 41.0738 179.6103 10 A 5.0724 7.9757 121.2584 50.3807 23.4075 171.7368 11 P 4.9649 0.0000 0.0000 63.1566 34.4946 176.6893 12 V 2.0000 8.6140 107.0091 61.1154 31.9335 177.3161 13 L 4.0483 8.7465 122.8687 54.2350 39.4587 174.5595 14 S 4.3449 5.9459 111.7342 56.2796 66.6930 175.7964 15 E 3.7440 8.6059 123.8186 59.6428 29.8886 178.9983 16 K 3.8265 7.8901 118.3670 59.6317 32.3430 178.1687 17 A 3.5230 7.1048 120.3989 55.6046 18.1348 179.1841 18 Y 2.5544 6.6669 113.6372 60.6705 37.7458 178.6850 19 A 4.0650 7.3793 120.1023 54.9213 18.3563 179.1724 20 G 3.6097 7.4805 102.4345 46.0711 0.0000 175.7719 21 F 3.8465 8.0626 119.4548 59.9641 38.5349 175.8463 22 A 3.9037 6.7870 123.0702 55.5268 18.6815 179.3418 23 E 4.3500 7.7342 112.4115 55.3953 31.0950 177.6223 24 G 4.2528 8.4574 105.0023 47.0609 0.0000 174.0085 25 K 5.0550 8.2825 122.4817 54.9914 32.8234 175.8074 26 Y 4.9014 9.0274 123.7234 56.0926 40.4721 175.0691 27 T 4.9140 8.1944 113.6195 59.9141 71.6229 173.2146 28 F 4.8528 9.3214 122.7180 55.2455 43.7771 174.3005 29 W 4.8774 8.8050 122.2944 57.0047 29.6767 176.1454 30 V 5.0020 8.3591 117.9320 59.1370 34.5682 175.3137 31 H 4.3893 9.0972 122.7622 55.8491 29.7998 174.3077 32 P 3.8856 0.0000 0.0000 65.5818 30.8604 176.9786 33 K 4.1677 7.4212 115.0027 56.0819 32.5103 176.0281 34 A 4.2592 8.2395 123.1775 52.6817 18.9432 176.9751 35 T 4.7816 7.9175 113.9875 61.0349 73.5478 175.4516 36 K 3.8194 8.5722 122.0990 60.2059 32.2087 179.7395 37 T 4.0069 7.8047 115.3204 66.2346 68.7216 176.5480 38 E 3.9536 8.0282 120.8975 59.7864 29.6231 177.9536 39 I 3.6327 8.6880 120.4074 63.6450 37.0340 178.1643 40 K 3.9902 8.2939 119.8421 60.2701 32.3298 177.9627 41 N 4.1824 8.1688 115.7256 56.3977 38.2661 176.8001 42 A 3.8608 7.7785 121.8104 55.7815 18.7618 179.4278 43 V 3.2794 7.9633 116.4864 66.5397 31.0644 177.5124 44 E 4.2114 8.7006 119.2631 59.1559 29.3884 181.5195 45 T 4.4161 8.2797 111.8942 60.6854 68.8589 174.1038 46 A 4.9869 9.3960 125.0655 54.4985 26.3000 178.1982 47 F 4.3510 8.6369 111.3188 56.8866 39.7491 176.9064 48 K 4.0225 8.0717 116.6324 57.4283 28.5577 172.9900 49 V 4.4877 7.0440 115.3472 59.6927 36.0744 173.7965 50 K 4.8503 9.6411 122.7053 55.0709 33.5895 174.9915 51 V 4.3449 8.4284 127.5870 61.7593 32.3837 175.5153 52 V 4.4245 9.3395 126.6902 62.8692 33.8617 175.3095 53 K 4.7156 7.7846 120.2926 55.1219 35.8292 174.7270 54 V 4.8987 8.3197 125.3126 61.4091 34.5188 173.8799 55 N 5.2994 9.1464 124.9559 51.6776 41.9433 173.5656 56 T 5.2599 8.0596 111.3302 59.8301 72.8595 172.8044 57 L 4.4664 7.8735 117.3562 55.3833 43.7382 173.9099 58 H 4.7966 9.2663 120.1056 55.8658 30.1196 175.3264 59 V 4.3413 9.8603 120.4859 60.8060 34.0667 174.6185 60 R 4.4163 8.2256 129.1930 55.7322 30.5401 176.2246 61 G 4.2659 8.7676 114.4678 45.5173 0.0000 173.2178 62 K 4.2920 8.8400 125.6973 56.6778 33.4084 176.0065 63 K 4.6650 8.5611 123.3916 56.2229 34.2116 175.8350 64 K 4.8111 8.4025 122.0761 54.9064 36.5640 174.8297 65 R 4.8397 8.2820 119.0051 55.3872 32.3956 173.8659 66 L 4.5533 8.7224 127.3065 53.9380 43.5278 176.2163 67 G 4.1789 8.3600 118.7664 46.7952 0.0000 175.0872 68 R 3.9390 8.5543 119.7848 57.6510 30.1485 176.1515 69 Y 4.2468 7.5750 117.3587 57.1207 38.1192 174.0283 70 L 4.9691 8.3628 127.0173 53.5788 44.2252 175.3837 71 G 4.2381 8.4483 110.3156 45.7534 0.0000 171.4531 72 K 5.0771 8.5343 117.6488 54.6558 36.2207 176.0919 73 R 4.7212 8.3298 120.6549 53.5583 32.4251 174.2246 74 P 4.4232 0.0000 0.0000 63.7911 31.3676 175.3796 75 D 4.9196 8.6355 121.4679 54.1824 42.0458 175.4561 76 R 4.7313 8.9321 119.9070 54.2985 35.3617 173.8694 77 K 4.8756 8.6795 120.9769 54.5014 35.2285 174.6489 78 K 5.2513 9.2608 125.8358 55.0937 35.6846 174.9319 79 A 5.1264 9.0130 124.2854 50.2020 23.0199 175.2025 80 I 4.8492 8.8545 119.3167 59.6001 41.0183 174.7476 81 V 4.7652 8.9839 123.6393 60.2350 34.1380 175.3248 82 Q 5.6717 8.9024 125.1621 53.8010 30.7147 175.0506 83 V 4.4482 8.6245 120.3351 60.6624 32.6351 176.1602 84 A 4.1586 9.9121 126.8189 51.5267 19.3558 175.2749 85 P 4.1718 0.0000 0.0000 64.5057 31.8041 175.2313 86 G 4.3221 9.0381 111.7173 46.0362 0.0000 173.9389 87 Q 4.2828 7.4588 117.1029 55.7301 29.4246 175.3165 88 K 4.3387 7.7366 115.2744 57.1490 33.1724 173.9318 89 I 4.2943 7.2836 121.5969 59.6509 38.6481 176.8899 90 E 3.9732 8.9502 125.3058 59.4762 29.7991 178.8480 91 A 3.9770 8.1066 120.0311 55.1917 18.5739 178.3528 92 L 4.4095 7.4570 114.5047 56.1514 42.3159 178.3763 93 E 3.9095 8.1281 116.1639 57.4576 28.8695 177.1365 94 G 3.7037 7.6064 108.9906 47.4263 0.0000 174.6640 *95 L 4.1219 7.6277 124.7201 53.6271 41.6291 178.8188 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 3 T 8.41 4.66 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 1.19 0.00 0.00 4 A 8.46 3.97 1.12 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 5 Y 8.04 4.63 0.00 3.04 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 6 D 7.79 4.69 0.00 2.69 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.56 3.54 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 1.05 0.00 0.00 0.96 0.00 0.00 8 I 7.39 4.39 1.86 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.57 0.64 0.00 0.00 9 L 7.87 4.12 0.00 1.92 1.71 1.08 0.81 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 10 A 7.98 5.07 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.96 0.00 2.13 2.30 0.00 4.00 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 12 V 8.61 2.00 1.72 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 0.63 0.00 0.00 1.13 0.00 0.00 13 L 8.75 4.05 0.00 1.89 1.83 1.07 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 5.95 4.34 0.00 3.80 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 15 E 8.61 3.74 0.00 1.92 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 2.28 2.45 0.00 16 K 7.89 3.83 0.00 1.72 1.59 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.39 7.81 17 A 7.10 3.52 0.75 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 18 Y 6.67 2.55 0.00 2.92 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.38 4.07 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 20 G 7.48 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 21 F 8.06 3.85 0.00 2.98 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 22 A 6.79 3.90 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 23 E 7.73 4.35 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 2.39 2.36 0.00 24 G 8.46 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 25 K 8.28 5.05 0.00 1.72 1.74 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.48 7.81 26 Y 9.03 4.90 0.00 3.02 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 27 T 8.19 4.91 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 1.02 0.00 0.00 28 F 9.32 4.85 0.00 2.93 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 29 W 8.80 4.88 0.00 3.37 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 30 V 8.36 5.00 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 0.78 0.00 0.00 1.04 0.00 0.00 31 H 9.10 4.39 0.00 3.27 3.24 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 3.89 0.00 2.19 2.18 0.00 3.70 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 1.78 1.97 0.00 33 K 7.42 4.17 0.00 1.69 1.89 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.29 1.36 7.81 34 A 8.24 4.26 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.92 4.78 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 36 K 8.57 3.82 0.00 1.77 1.87 0.00 1.85 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.50 7.81 37 T 7.80 4.01 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 1.20 0.00 0.00 38 E 8.03 3.95 0.00 2.03 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 2.36 2.39 0.00 39 I 8.69 3.63 2.11 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 1.61 0.83 0.88 0.00 0.00 40 K 8.29 3.99 0.00 1.83 2.03 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.53 7.81 41 N 8.17 4.18 0.00 2.94 2.78 0.00 0.00 6.98 6.79 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 42 A 7.78 3.86 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 43 V 7.96 3.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.67 0.00 0.00 44 E 8.70 4.21 0.00 2.18 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 2.52 2.41 0.00 45 T 8.28 4.42 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 1.18 0.00 0.00 46 A 9.40 4.99 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 0.00 0.00 0.00 0.00 0.00 47 F 8.64 4.35 0.00 3.00 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 48 K 8.07 4.02 0.00 1.83 1.93 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.48 7.81 49 V 7.04 4.49 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 0.83 0.00 0.00 0.98 0.00 0.00 50 K 9.64 4.85 0.00 1.79 1.87 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.36 7.81 51 V 8.43 4.34 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 0.86 0.00 0.00 0.91 0.00 0.00 52 V 9.34 4.42 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 0.81 0.00 0.00 0.96 0.00 0.00 53 K 7.78 4.72 0.00 1.84 1.58 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.45 7.81 54 V 8.32 4.90 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 0.89 0.00 0.00 0.94 0.00 0.00 55 N 9.15 5.30 0.00 2.69 2.65 0.00 0.00 6.10 6.36 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 56 T 8.06 5.26 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 1.23 0.00 0.00 57 L 7.87 4.47 0.00 1.64 1.78 0.97 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 58 H 9.27 4.80 0.00 3.10 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.86 4.34 2.41 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 1.16 0.00 0.00 1.20 0.00 0.00 60 R 8.23 4.42 0.00 1.89 1.86 0.00 3.13 0.00 0.00 3.89 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 61 G 8.77 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 0.00 0.00 0.00 0.00 62 K 8.84 4.29 0.00 1.72 1.75 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.46 7.81 63 K 8.56 4.67 0.00 1.96 1.81 0.00 1.51 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.47 7.81 64 K 8.40 4.81 0.00 1.67 1.75 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.34 7.81 65 R 8.28 4.84 0.00 1.73 1.76 0.00 3.34 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 66 L 8.72 4.55 0.00 1.73 1.58 0.93 0.92 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 67 G 8.36 4.18 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 0.00 68 R 8.55 3.94 0.00 1.65 1.89 0.00 2.21 0.00 0.00 2.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.58 0.00 69 Y 7.57 4.25 0.00 3.28 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 70 L 8.36 4.97 0.00 1.59 1.55 0.92 1.03 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 71 G 8.45 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 0.00 0.00 0.00 0.00 72 K 8.53 5.08 0.00 1.57 1.67 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.49 7.81 73 R 8.33 4.72 0.00 1.89 1.76 0.00 3.14 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 74 P 0.00 4.42 0.00 1.98 2.04 0.00 3.70 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 1.89 1.97 0.00 75 D 8.64 4.92 0.00 2.70 2.63 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 76 R 8.93 4.73 0.00 1.51 1.61 0.00 2.99 0.00 0.00 2.83 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.33 0.00 77 K 8.68 4.88 0.00 1.67 1.62 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.23 7.81 78 K 9.26 5.25 0.00 1.43 1.76 0.00 0.65 0.00 0.00 1.09 0.00 0.00 2.78 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 1.18 7.81 79 A 9.01 5.13 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 80 I 8.85 4.85 1.78 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 1.22 1.67 0.85 0.00 0.00 81 V 8.98 4.77 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.25 0.00 0.00 82 Q 8.90 5.67 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 83 V 8.62 4.45 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 0.72 0.00 0.00 1.21 0.00 0.00 84 A 9.91 4.16 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 85 P 0.00 4.17 0.00 2.20 2.13 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 86 G 9.04 4.32 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 0.00 87 Q 7.46 4.28 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 88 K 7.74 4.34 0.00 1.93 1.85 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.19 1.52 7.81 89 I 7.28 4.29 0.84 0.00 0.00 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 1.24 0.48 1.09 0.00 0.00 90 E 8.95 3.97 0.00 1.97 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 2.38 2.23 0.00 91 A 8.11 3.98 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 92 L 7.46 4.41 0.00 1.82 1.60 0.86 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.13 3.91 0.00 2.12 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 2.66 2.43 0.00 94 G 7.61 3.70 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 0.00 0.00 0.00 *95 L 7.63 4.12 0.00 1.42 1.50 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.