NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 5.2114 0.0000 0.0000 62.6207 34.0020 174.9684 *3 C 4.6367 8.3188 121.2090 59.3882 32.8200 171.9247 4 E 5.0200 8.8685 125.1711 54.3327 32.1681 174.6955 5 L 4.7784 9.0488 126.4926 53.7183 43.9552 174.9413 6 I 4.8594 8.7978 129.0231 60.0530 39.0847 174.9563 7 T 5.1829 8.7132 121.3494 60.6127 71.1261 173.3212 8 N 5.0463 8.6627 123.8358 53.0722 38.2264 174.6670 9 I 4.3720 7.9723 121.2310 60.4818 38.3572 175.0141 10 S 4.1363 8.6094 120.0896 56.6218 63.1881 173.1016 11 I 4.6200 7.9724 120.2301 57.4138 40.6390 173.9342 12 P 4.4227 0.0000 0.0000 62.2224 33.1331 177.3765 13 D 4.3899 8.6075 120.0047 57.9817 40.8264 179.1128 14 D 4.3316 7.9895 118.6454 57.2429 40.8458 178.6562 15 K 3.9115 7.9356 119.4940 59.1019 32.2028 178.5351 16 A 3.6940 8.1164 121.4727 55.2465 18.3039 179.5932 17 Q 3.9302 8.3419 116.8210 59.2684 28.7007 178.9185 18 N 4.3472 8.1928 117.4140 56.5035 38.5505 177.6262 19 T 3.8291 8.2912 117.5294 66.7491 68.5394 176.7777 20 L 3.9946 8.0950 120.9743 57.6492 41.5678 179.5789 21 S 4.0737 8.2005 113.2621 61.4006 62.3733 176.0423 22 E 3.9652 8.4660 121.6158 59.4972 29.1151 179.4650 23 I 3.7043 7.7887 119.8296 64.3591 37.1260 178.3240 24 E 3.9393 8.5777 119.9009 59.4828 29.2272 179.1376 25 D 4.3282 8.2854 118.7451 57.2254 40.7839 178.6954 26 A 3.9874 8.0156 121.2448 55.2063 18.4071 179.6963 27 I 3.6503 7.9323 118.4684 64.5128 37.1703 178.6761 28 S 4.2503 7.9327 115.1897 60.9548 62.0585 175.9703 29 N 4.3039 8.2725 118.1868 56.5277 38.4028 177.2366 30 I 3.9577 7.8939 120.1919 63.9708 37.3996 177.9465 31 L 4.2242 8.1211 118.3365 54.5815 42.1264 176.8744 32 G 4.0045 7.9231 106.8589 46.3834 0.0000 173.6840 33 K 4.6976 7.4959 116.1306 53.5955 36.3001 176.2409 34 P 4.3486 0.0000 0.0000 63.6719 31.8570 176.4736 35 V 3.2948 7.8813 111.9476 62.2412 29.1029 174.7867 36 A 3.8374 7.9067 121.8601 54.3916 18.6619 178.1192 37 Y 4.8420 7.3956 113.2076 57.5839 39.0788 175.6244 38 I 3.9873 7.4124 119.2644 61.1755 38.8389 174.5435 39 M 4.8252 8.4683 126.6454 54.0903 33.6168 175.3764 40 S 5.2925 8.2118 115.2169 56.6021 67.0112 172.1660 41 N 4.7644 8.3260 115.9274 52.9250 42.2272 172.3753 42 Y 5.1088 8.7198 125.4451 56.1734 40.8338 174.6494 43 D 4.4955 9.3358 129.4156 52.5363 42.4345 174.6310 44 Y 4.3484 7.9190 128.1346 57.5542 39.4575 175.0568 45 Q 4.3104 8.8324 127.6819 53.1520 29.5272 176.4707 46 K 3.7225 7.7815 123.1190 59.2725 32.8596 178.2609 47 N 4.6526 7.7879 114.2067 52.7196 38.8418 174.8152 48 L 4.0944 7.6852 121.6143 55.1817 42.6697 176.3827 49 R 4.8750 8.3134 123.4982 54.2948 33.6660 174.7864 50 F 4.4827 8.2615 122.3343 57.4292 42.0097 174.6957 51 S 3.3262 8.7825 121.2693 59.1166 60.3799 172.5069 52 G 3.8342 8.4875 104.1311 44.7299 0.0000 173.7352 53 S 4.5606 7.6014 113.3591 56.4112 65.0179 173.5117 54 N 5.1020 8.6686 124.4465 53.3302 38.7429 174.3645 55 E 4.1763 8.0193 117.6427 55.1915 30.2818 176.5598 56 G 4.0328 8.4218 110.3814 46.5244 0.0000 172.2057 57 Y 5.1197 9.0005 123.3468 56.7117 43.1563 172.9862 58 C 4.8626 8.3074 123.0411 57.8201 32.2516 172.5054 59 F 5.2056 9.2357 126.8574 56.3654 41.4792 174.0705 60 V 4.4822 8.6282 126.5912 60.8645 33.8715 174.0038 61 R 4.5124 8.3949 128.2962 54.2472 32.8490 173.8815 62 L 4.7645 8.5887 126.7937 53.2870 44.1252 175.4338 63 T 4.8750 8.2141 120.3644 62.1542 71.6946 174.6572 64 S 3.4577 8.8527 122.6897 59.5832 61.0153 172.5742 65 I 4.1957 7.8505 121.4060 59.5045 37.1492 176.3753 66 G 3.6046 8.4898 115.3997 47.1988 0.0000 172.6658 67 G 4.0358 9.0404 111.2125 45.0993 0.0000 173.0591 68 I 4.3312 7.3342 120.2029 60.0068 38.3445 174.6068 69 N 4.6497 8.8105 120.7104 51.7910 40.2491 175.2746 70 R 3.8928 8.6864 117.3120 59.5806 29.9682 178.4227 71 S 4.3713 8.4112 110.9020 59.7767 63.5028 174.4198 72 N 4.9466 8.4511 116.3751 51.6308 39.3695 176.1176 73 N 3.8703 8.2933 117.4762 56.3769 36.8897 177.1810 74 S 4.1817 7.8856 117.0618 60.9297 62.9572 176.5023 75 L 4.0068 7.7079 121.4256 57.5847 41.3840 179.1310 76 L 3.9647 8.3042 120.4137 58.0748 42.0085 178.8159 77 A 4.0110 8.5655 121.2440 55.0706 18.3158 179.0010 78 D 4.2484 8.4885 116.9411 57.5584 41.3668 178.5705 79 K 3.9719 8.0418 120.0400 59.4620 32.1854 178.9139 80 I 3.6778 7.9813 120.2803 64.5328 36.9454 178.2282 81 T 3.8552 8.0573 116.8279 66.7847 68.2227 176.5554 82 K 4.0249 8.0189 121.2931 58.9620 32.0893 179.4203 83 I 3.6092 7.7661 119.9177 64.3961 37.0231 178.5938 84 L 3.9852 7.9696 120.0059 57.7188 41.0110 179.6997 85 S 4.2885 8.4209 114.7099 61.6261 62.6405 175.6811 86 N 4.3528 8.2889 120.2910 57.0050 38.8554 176.4155 87 H 4.3658 8.9348 118.4281 57.7511 27.6483 176.2937 88 L 4.5658 7.9592 118.5271 53.3759 43.7100 177.6761 89 S 4.0446 7.8985 113.2507 59.1394 60.7415 171.7744 90 V 3.9732 7.0009 118.1490 60.9095 32.1472 176.2136 91 K 4.2288 8.4359 121.3704 55.7522 32.8878 176.5940 92 P 4.2679 0.0000 0.0000 65.5794 31.4516 178.6989 93 R 4.1773 8.0501 112.9100 58.2151 29.7886 176.9398 94 R 4.9285 8.3110 118.3097 56.1222 31.4283 175.3066 95 V 4.6629 7.8044 119.3423 61.2697 33.5590 174.3335 96 Y 4.9409 8.7813 128.1815 55.8671 42.1467 173.7992 97 I 4.6380 7.9037 126.3574 59.3271 40.0782 174.2675 98 E 4.5583 8.7411 128.4869 54.1588 32.4391 174.3844 99 F 5.2766 8.8953 124.4693 55.8655 41.6792 175.0395 100 R 4.7553 9.2273 121.1240 54.5249 34.8888 173.8336 101 D 5.0307 8.8389 121.6145 53.0708 43.0239 174.9509 102 C 4.6446 8.7125 123.3288 59.2450 29.2906 176.0512 103 S 4.0126 8.5758 116.5937 61.5633 62.2438 176.9439 104 A 3.9495 7.8237 122.1996 53.5928 18.2596 177.8257 105 Q 4.1613 7.7650 115.5281 56.8434 29.5082 175.0602 106 N 5.1691 7.3181 113.0353 51.7516 41.8859 173.4447 107 F 4.6865 8.8408 118.2322 55.6817 41.2048 175.3659 108 A 4.8179 7.9767 126.1370 50.2798 21.7891 175.4594 109 F 4.8172 8.6150 119.2430 55.6644 43.0249 174.6002 110 S 4.6501 8.5122 119.2383 56.7944 63.6221 175.1292 111 G 4.0043 8.8085 115.3144 48.5702 0.0000 175.6405 112 S 4.2407 7.7325 113.2553 60.5169 63.1653 175.6323 113 L 3.7944 7.3029 120.5539 56.8346 41.2349 177.8244 114 F 4.9371 7.7149 115.6727 56.1344 39.9244 177.6181 115 G 3.5823 8.0081 109.4573 46.3138 0.0000 174.2599 *116 G 3.7078 8.6265 109.3136 45.8846 0.0000 172.3123 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 P 0.00 5.21 0.00 2.04 2.23 0.00 4.15 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.84 0.00 *3 C 8.32 4.64 0.00 2.96 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 4 E 8.87 5.02 0.00 1.98 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 2.21 2.05 0.00 5 L 9.05 4.78 0.00 1.72 1.82 0.91 0.88 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 6 I 8.80 4.86 2.14 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.46 1.03 0.00 0.00 7 T 8.71 5.18 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 1.61 0.00 0.00 8 N 8.66 5.05 0.00 2.94 3.07 0.00 0.00 6.91 7.57 0.00 0.00 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 7.97 4.37 2.00 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 1.28 0.72 0.95 0.00 0.00 10 S 8.61 4.14 0.00 3.32 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 11 I 7.97 4.62 1.70 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 0.64 0.31 0.80 0.00 0.00 12 P 0.00 4.42 0.00 2.13 1.97 0.00 3.51 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 2.05 2.12 0.00 13 D 8.61 4.39 0.00 2.68 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 14 D 7.99 4.33 0.00 2.65 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.94 3.91 0.00 1.75 1.87 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.42 7.81 16 A 8.12 3.69 1.10 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 0.00 0.00 0.00 0.00 0.00 17 Q 8.34 3.93 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 18 N 8.19 4.35 0.00 2.87 2.85 0.00 0.00 7.06 6.61 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 19 T 8.29 3.83 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 1.10 0.00 0.00 20 L 8.10 3.99 0.00 1.68 1.71 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.20 4.07 0.00 3.94 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 22 E 8.47 3.97 0.00 2.13 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 0.00 2.33 2.53 0.00 23 I 7.79 3.70 1.95 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 1.45 0.62 0.85 0.00 0.00 24 E 8.58 3.94 0.00 2.09 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 2.31 2.51 0.00 25 D 8.29 4.33 0.00 2.84 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 A 8.02 3.99 1.35 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 0.00 0.00 0.00 27 I 7.93 3.65 1.99 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 1.41 0.89 0.92 0.00 0.00 28 S 7.93 4.25 0.00 3.88 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 29 N 8.27 4.30 0.00 2.74 2.85 0.00 0.00 7.16 7.13 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 30 I 7.89 3.96 1.98 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 1.52 0.46 0.91 0.00 0.00 31 L 8.12 4.22 0.00 1.95 1.72 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.92 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 33 K 7.50 4.70 0.00 1.73 1.64 0.00 1.69 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.34 7.81 34 P 0.00 4.35 0.00 2.13 2.15 0.00 3.91 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 1.98 1.97 0.00 35 V 7.88 3.29 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 0.75 0.00 0.00 0.90 0.00 0.00 36 A 7.91 3.84 0.64 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 37 Y 7.40 4.84 0.00 2.95 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 38 I 7.41 3.99 1.87 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 1.29 0.75 0.95 0.00 0.00 39 M 8.47 4.83 0.00 1.95 2.08 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 2.59 2.50 0.00 40 S 8.21 5.29 0.00 3.89 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 41 N 8.33 4.76 0.00 2.83 2.64 0.00 0.00 6.30 7.56 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 42 Y 8.72 5.11 0.00 2.91 2.87 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 43 D 9.34 4.50 0.00 2.67 2.50 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 0.00 44 Y 7.92 4.35 0.00 2.44 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.83 4.31 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 46 K 7.78 3.72 0.00 1.79 1.50 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.17 1.36 7.81 47 N 7.79 4.65 0.00 2.68 2.85 0.00 0.00 6.84 7.85 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 48 L 7.69 4.09 0.00 1.76 1.72 1.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.31 4.88 0.00 1.72 1.69 0.00 3.17 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.75 0.00 50 F 8.26 4.48 0.00 1.51 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 0.00 0.00 0.00 51 S 8.78 3.33 0.00 2.72 3.30 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 52 G 8.49 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 0.00 0.00 0.00 53 S 7.60 4.56 0.00 3.77 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 54 N 8.67 5.10 0.00 2.69 2.78 0.00 0.00 7.04 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 55 E 8.02 4.18 0.00 2.03 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 2.41 2.32 0.00 56 G 8.42 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 57 Y 9.00 5.12 0.00 3.30 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 58 C 8.31 4.86 0.00 2.66 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 59 F 9.24 5.21 0.00 3.01 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 60 V 8.63 4.48 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 0.65 0.00 0.00 0.77 0.00 0.00 61 R 8.39 4.51 0.00 1.02 1.39 0.00 3.23 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.40 0.00 62 L 8.59 4.76 0.00 1.18 1.46 0.33 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.21 4.88 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 64 S 8.85 3.46 0.00 3.99 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 65 I 7.85 4.20 1.92 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 1.36 0.72 0.94 0.00 0.00 66 G 8.49 3.60 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 0.00 0.00 0.00 67 G 9.04 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 0.00 0.00 0.00 68 I 7.33 4.33 1.78 0.00 0.00 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 1.51 0.64 0.38 0.00 0.00 69 N 8.81 4.65 0.00 2.86 2.84 0.00 0.00 6.69 7.34 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 70 R 8.69 3.89 0.00 1.78 2.03 0.00 3.18 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 71 S 8.41 4.37 0.00 3.94 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 72 N 8.45 4.95 0.00 2.86 2.98 0.00 0.00 6.54 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 73 N 8.29 3.87 0.00 2.06 2.58 0.00 0.00 6.30 7.64 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 74 S 7.89 4.18 0.00 3.87 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 75 L 7.71 4.01 0.00 1.84 1.71 0.91 0.62 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 76 L 8.30 3.96 0.00 1.80 1.99 0.94 1.40 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 77 A 8.57 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 78 D 8.49 4.25 0.00 2.81 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 79 K 8.04 3.97 0.00 1.92 1.91 0.00 1.56 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.50 7.81 80 I 7.98 3.68 1.80 0.00 0.00 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 1.46 0.83 0.80 0.00 0.00 81 T 8.06 3.86 4.37 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 1.22 0.00 0.00 82 K 8.02 4.02 0.00 1.91 1.85 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.82 1.49 7.81 83 I 7.77 3.61 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.58 0.66 0.00 0.00 84 L 7.97 3.99 0.00 1.78 1.67 0.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.42 4.29 0.00 4.03 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 86 N 8.29 4.35 0.00 2.85 3.10 0.00 0.00 7.27 8.46 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 87 H 8.93 4.37 0.00 3.08 3.29 0.00 5.66 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.96 4.57 0.00 2.00 1.65 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.90 4.04 0.00 3.99 3.99 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 90 V 7.00 3.97 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 0.74 0.00 0.00 1.00 0.00 0.00 91 K 8.44 4.23 0.00 1.92 1.82 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.57 1.51 7.81 92 P 0.00 4.27 0.00 2.21 2.13 0.00 3.63 0.00 0.00 3.98 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 93 R 8.05 4.18 0.00 2.01 2.13 0.00 3.06 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 94 R 8.31 4.93 0.00 1.98 2.35 0.00 3.58 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 95 V 7.80 4.66 2.25 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 0.67 0.00 0.00 0.96 0.00 0.00 96 Y 8.78 4.94 0.00 2.93 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 97 I 7.90 4.64 1.70 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 1.02 0.64 0.43 0.00 0.00 98 E 8.74 4.56 0.00 1.90 1.63 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 2.20 2.31 0.00 99 F 8.90 5.28 0.00 2.87 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 0.00 100 R 9.23 4.76 0.00 1.71 1.79 0.00 3.12 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 101 D 8.84 5.03 0.00 2.66 2.56 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 0.00 102 C 8.71 4.64 0.00 3.05 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 0.00 103 S 8.58 4.01 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 0.00 104 A 7.82 3.95 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 Q 7.76 4.16 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.63 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 106 N 7.32 5.17 0.00 2.81 2.70 0.00 0.00 6.84 7.33 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 0.00 107 F 8.84 4.69 0.00 3.09 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 0.00 108 A 7.98 4.82 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 0.00 109 F 8.62 4.82 0.00 3.17 3.14 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 0.00 110 S 8.51 4.65 0.00 3.79 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 0.00 111 G 8.81 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 0.00 112 S 7.73 4.24 0.00 3.99 3.99 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 0.00 113 L 7.30 3.79 0.00 0.27 1.06 0.92 0.55 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 0.00 114 F 7.71 4.94 0.00 3.06 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 0.00 115 G 8.01 3.58 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 0.00 *116 G 8.63 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.