NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1264 8.2649 123.5565 50.7917 19.9013 176.4873 2 P 4.0822 0.0000 0.0000 61.8323 31.8699 175.1610 3 K 3.9582 9.1339 121.1918 56.4773 33.7299 176.5964 4 D 4.2587 8.4755 121.2820 55.8431 41.4582 176.1318 5 N 4.2085 8.5524 119.5997 53.8599 37.9247 173.2494 6 T 4.9259 6.8117 104.9783 59.8926 73.4230 172.9903 7 W 5.5536 8.9891 121.1026 55.5562 32.9029 174.2064 8 Y 5.6410 8.8480 118.4207 56.6679 41.5123 173.5134 9 T 5.0963 9.2867 114.0687 61.1132 71.5991 172.6446 10 G 3.8513 8.6072 113.2495 45.2696 0.0000 171.0894 11 A 5.3546 8.9928 120.4219 50.4268 23.2140 175.2948 12 K 5.2639 9.3024 117.6361 55.0960 37.6667 175.2317 13 L 5.1763 9.0953 121.3761 53.0955 44.8616 176.2346 14 G 4.5886 8.8892 109.2656 44.4816 0.0000 171.1348 15 W 5.9839 9.0928 129.7209 56.0949 34.5627 173.5609 16 S 4.4672 9.1339 120.3086 56.7802 65.9835 172.5326 17 Q 5.4794 8.2938 121.0412 53.3482 32.0053 175.7563 *31 H 4.6554 8.1904 112.9714 55.7821 29.3087 173.4843 32 E 4.4658 8.6514 119.7244 56.0138 31.8218 173.1115 33 N 5.5895 8.7867 121.3559 51.2619 42.3246 173.9527 34 K 5.2804 9.4091 121.7326 54.7426 35.9756 175.2879 35 L 5.2658 8.7459 122.9571 53.5621 46.2222 176.3802 36 G 2.9089 8.4086 105.7105 46.9359 0.0000 171.3623 37 A 4.8622 5.8125 121.7884 51.5258 23.4025 175.2580 38 G 4.6649 8.9615 104.6594 47.0063 0.0000 172.2175 39 A 5.5406 9.5483 121.0630 50.3420 23.0606 175.2402 40 F 5.5162 8.9343 113.8925 55.6875 41.9689 173.6093 41 G 4.5181 9.6027 106.7385 45.0622 0.0000 171.6398 42 G 4.2143 8.6308 108.5949 44.8458 0.0000 170.8509 43 Y 4.7422 8.7312 120.4925 55.4786 41.8199 173.6572 44 Q 4.4747 8.3907 128.5732 55.0085 30.5283 176.1837 45 V 3.5829 8.7284 127.4240 64.7254 32.1447 175.0682 46 N 5.6839 7.2732 113.5387 51.1059 39.9171 172.8353 47 P 4.0638 0.0000 0.0000 64.7436 31.4365 176.9006 48 Y 5.1339 8.2394 114.1805 56.8983 39.9394 175.2898 49 V 4.8027 7.9137 119.9321 61.0068 35.0195 174.6793 50 G 4.3765 8.8043 113.6878 44.8318 0.0000 170.8800 51 F 5.4789 9.1400 117.5997 55.7048 43.0718 174.4955 52 E 5.3115 9.6317 120.6607 55.0112 34.4839 173.9347 53 M 5.2681 9.3980 121.9052 53.9152 35.3606 174.6529 54 G 4.7684 9.4843 112.3272 44.7125 0.0000 170.5436 55 Y 5.5321 9.2901 121.4467 55.9023 42.1689 173.9539 56 D 5.1707 8.5349 125.0257 52.2836 45.9938 174.3080 57 W 5.4881 8.7522 117.3999 54.8924 32.2404 174.0271 58 L 5.0255 9.4848 120.3958 53.1470 45.7256 175.7775 59 G 4.7780 9.3119 109.7715 44.3057 0.0000 171.7325 60 R 4.7414 8.9334 123.8380 56.2999 30.7394 175.7798 61 M 4.6268 8.6201 125.9568 53.2705 33.5645 174.6247 62 P 4.0647 0.0000 0.0000 64.6676 31.9905 175.5565 63 Y 3.3880 7.7935 117.2613 58.7049 35.9222 171.5679 *71 A 4.2161 7.7237 120.9442 52.2547 20.2617 175.8171 72 Y 4.8760 8.6232 118.8132 56.9818 41.1819 175.0482 73 K 5.2816 9.1816 125.0820 54.6834 36.2421 174.7770 74 A 5.4065 9.4900 127.6098 50.5147 22.8031 174.9088 75 Q 5.0650 9.5441 118.6129 54.6033 33.8957 174.4559 76 G 4.6083 8.9119 107.7514 45.0671 0.0000 171.7972 77 V 5.3836 9.1775 122.9704 60.8884 34.5687 174.4255 78 Q 5.1376 9.4289 124.6960 54.5144 32.9167 173.5945 79 L 5.3472 8.8671 121.8958 53.7762 45.2825 175.2835 80 T 5.2286 9.2721 115.6388 60.0072 72.9046 172.7077 81 A 4.8611 9.0473 125.0980 51.2675 20.6627 176.3776 82 K 4.8851 9.0040 123.0036 54.6983 34.9894 174.6608 83 L 5.2409 9.0828 128.3111 53.1302 44.6798 176.1140 84 G 4.7377 9.3926 109.9404 45.6150 0.0000 170.6275 85 Y 5.5629 8.7738 116.9456 54.7987 41.7689 172.7258 86 P 4.8702 0.0000 0.0000 62.8148 32.2142 176.3296 87 I 4.0234 8.5655 125.4488 63.4588 36.4712 175.4996 88 T 4.7434 7.2672 108.0192 59.8158 71.9041 173.9752 89 D 4.5250 8.7347 120.2584 57.0769 40.9943 177.5094 90 D 4.6115 7.6651 115.1422 54.4011 41.9803 175.4237 91 L 4.9844 8.0022 122.1218 53.1535 44.2822 174.9549 92 D 5.3265 8.9120 125.8603 52.6226 44.2195 175.1459 93 I 4.7410 7.9867 122.5151 60.1351 39.6622 174.3335 94 Y 5.3312 8.2975 122.3687 56.3563 41.8100 173.5836 95 T 5.2353 9.4489 116.3181 61.9796 73.1117 173.3020 96 R 5.3887 8.9484 122.4232 54.5148 34.3350 174.5729 97 L 4.7264 8.7713 122.3639 53.8001 43.9784 175.4977 98 G 4.2150 7.6570 110.4786 46.2286 0.0000 172.0404 99 G 4.4895 8.1594 109.6960 44.6377 0.0000 171.1902 100 M 5.4181 9.1459 119.9238 53.7486 36.3412 174.1100 101 V 4.8463 8.9066 119.5179 59.5773 33.8039 175.0572 102 W 5.5283 8.6543 122.5365 54.6814 32.1979 174.2856 103 R 5.3585 9.5518 119.9593 54.8309 33.4918 173.3071 104 A 5.3232 9.6629 127.9572 50.3705 22.0083 174.3724 105 D 5.4649 9.4537 122.9943 52.9653 43.8160 175.8700 106 T 4.9023 8.9249 118.3335 60.8472 72.9817 172.8275 107 Y 4.5394 8.1234 123.2735 56.5070 40.8852 174.0001 108 S 4.9539 8.9718 121.8562 56.9349 65.0402 174.2251 109 N 4.6543 8.8562 119.2186 53.9134 39.4676 176.7667 110 V 4.0571 7.5677 116.9318 65.1320 32.0253 176.2735 111 Y 4.5289 8.1425 113.3188 57.1568 38.7210 177.5295 112 G 3.7973 7.6879 109.7285 44.7092 0.0000 173.3178 113 K 4.3051 8.0253 118.1842 56.7055 33.0550 175.9476 114 N 5.1387 8.7526 120.4987 53.2557 43.0375 172.4261 115 H 5.2745 8.2918 115.5135 54.8874 31.2719 172.2915 116 D 4.9455 9.1536 118.7170 52.8925 44.9170 174.1145 117 T 4.4384 7.8924 113.0549 60.0698 72.3010 172.4976 118 G 3.3835 6.4047 108.1945 45.6059 0.0000 172.0644 119 V 5.0427 8.1471 118.9335 61.1844 34.3750 174.4552 120 S 4.8119 9.3164 120.7211 56.2552 65.4306 171.6287 121 P 4.8509 0.0000 0.0000 62.7610 32.7317 175.6027 122 V 4.4434 7.9848 120.8158 60.1292 34.9309 174.1768 123 F 5.0049 8.5849 121.0692 55.8186 43.2422 173.5342 124 A 4.8779 8.5288 121.0395 50.9010 23.1687 175.5223 125 G 4.3635 9.4845 106.5177 44.8597 0.0000 172.2321 126 G 3.9624 7.7844 108.7933 45.4404 0.0000 172.0817 127 V 4.9064 8.5716 112.2011 59.3203 35.7609 174.9457 128 E 5.2121 9.1487 124.5325 54.6976 33.0063 173.7435 129 Y 5.0680 9.4079 124.7146 56.2454 40.4021 174.8696 130 A 4.5189 8.9611 128.2218 51.1636 18.3645 177.3340 131 I 3.8285 8.6904 123.7104 64.8182 37.4765 176.6113 132 T 4.7651 7.3701 107.7404 58.9145 71.9090 172.6016 133 P 4.2161 0.0000 0.0000 64.9629 31.5569 177.5631 134 E 4.0960 8.1159 116.8506 56.4923 30.6193 175.4884 135 I 5.1995 7.5721 119.8034 59.3035 40.6649 174.6283 136 A 5.3319 9.0828 127.9133 50.3747 22.8133 174.8512 137 T 5.2390 8.9353 110.7713 60.1158 72.1639 173.4180 138 R 5.4032 9.0931 118.0977 54.7239 33.7055 173.5115 139 L 5.2779 9.1015 122.1003 53.5088 45.1495 174.8255 140 E 5.1480 9.4969 126.1938 54.8048 33.5451 172.8507 141 Y 5.2403 9.3290 126.2671 55.8581 41.7019 173.9466 142 Q 4.9360 8.6877 128.0550 54.0302 32.3771 174.0658 143 W 5.5341 8.7437 122.2205 55.4542 32.5847 173.1555 144 T 4.8774 8.3390 109.4049 60.2529 71.5071 173.8020 145 N 4.8603 7.8854 114.8030 52.2126 38.0403 172.5277 *160 G 3.8032 7.4506 106.8117 47.0268 0.0000 170.8203 161 M 4.9469 8.5835 118.7823 53.6305 35.2465 174.2230 162 L 5.3518 8.9104 126.4769 54.0524 44.0906 175.7639 163 S 5.1963 9.1517 115.7001 57.2797 66.9700 172.7937 164 L 5.3142 8.9622 120.5912 53.3504 45.4061 175.9408 165 G 4.8254 9.2235 109.0929 45.3771 0.0000 171.5599 166 V 5.3141 9.0883 118.6243 60.0320 35.0690 174.7102 167 S 5.1356 9.5618 116.9858 56.8743 67.1843 171.7417 168 Y 5.0526 9.2159 122.5114 55.9985 40.9114 174.3845 169 R 4.6215 7.8100 126.5449 54.5480 30.6959 176.8499 170 F 4.0566 9.0388 124.3868 58.2751 39.3956 175.9440 171 G 4.1973 8.2209 113.2099 45.9326 0.0000 173.1684 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 A 8.26 4.13 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 2 P 0.00 4.08 0.00 2.06 1.97 0.00 3.61 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 3 K 9.13 3.96 0.00 1.71 1.72 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.43 7.81 4 D 8.48 4.26 0.00 2.65 2.61 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 5 N 8.55 4.21 0.00 2.84 2.85 0.00 0.00 6.90 7.28 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 6 T 6.81 4.93 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 1.28 0.00 0.00 7 W 8.99 5.55 0.00 3.41 3.24 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 8 Y 8.85 5.64 0.00 3.16 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 9 T 9.29 5.10 4.55 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 1.42 0.00 0.00 10 G 8.61 3.85 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 11 A 8.99 5.35 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 12 K 9.30 5.26 0.00 1.76 1.83 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.71 1.84 7.81 13 L 9.10 5.18 0.00 1.56 1.51 0.93 0.99 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 14 G 8.89 4.59 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 0.00 15 W 9.09 5.98 0.00 3.30 3.07 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 16 S 9.13 4.47 0.00 3.78 3.51 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 17 Q 8.29 5.48 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.28 0.00 0.00 0.00 0.00 0.00 2.47 1.84 0.00 *31 H 8.19 4.66 0.00 3.28 3.40 0.00 5.71 0.00 0.00 0.00 0.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.65 4.47 0.00 2.01 1.89 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 2.25 2.26 0.00 33 N 8.79 5.59 0.00 2.78 2.95 0.00 0.00 6.82 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 34 K 9.41 5.28 0.00 1.67 1.72 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 35 L 8.75 5.27 0.00 1.58 1.47 0.89 0.66 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 36 G 8.41 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 0.00 0.00 0.00 37 A 5.81 4.86 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 38 G 8.96 4.66 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 0.00 0.00 0.00 39 A 9.55 5.54 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 40 F 8.93 5.52 0.00 3.21 3.19 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 41 G 9.60 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.63 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 0.00 0.00 0.00 43 Y 8.73 4.74 0.00 1.67 2.46 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 0.00 0.00 0.00 0.00 44 Q 8.39 4.47 0.00 2.15 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 45 V 8.73 3.58 2.21 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 0.93 0.00 0.00 1.20 0.00 0.00 46 N 7.27 5.68 0.00 2.94 2.89 0.00 0.00 6.74 7.76 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 47 P 0.00 4.06 0.00 0.91 1.73 0.00 3.48 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 1.77 1.90 0.00 48 Y 8.24 5.13 0.00 3.09 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 49 V 7.91 4.80 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 0.61 0.00 0.00 1.01 0.00 0.00 50 G 8.80 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 0.00 0.00 0.00 0.00 51 F 9.14 5.48 0.00 3.00 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 52 E 9.63 5.31 0.00 1.88 1.89 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 2.36 2.34 0.00 53 M 9.40 5.27 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 54 G 9.48 4.77 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 0.00 0.00 0.00 55 Y 9.29 5.53 0.00 3.11 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 56 D 8.53 5.17 0.00 2.44 2.30 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 57 W 8.75 5.49 0.00 3.47 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 58 L 9.48 5.03 0.00 1.59 1.56 0.87 0.71 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 59 G 9.31 4.78 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 0.00 0.00 0.00 60 R 8.93 4.74 0.00 1.94 1.89 0.00 3.12 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 61 M 8.62 4.63 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.75 0.00 62 P 0.00 4.06 0.00 2.17 2.02 0.00 3.88 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 63 Y 7.79 3.39 0.00 3.04 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 *71 A 7.72 4.22 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.62 4.88 0.00 2.95 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 73 K 9.18 5.28 0.00 1.91 1.67 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.49 7.81 74 A 9.49 5.41 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 75 Q 9.54 5.06 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 76 G 8.91 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 77 V 9.18 5.38 2.19 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 1.23 0.00 0.00 1.20 0.00 0.00 78 Q 9.43 5.14 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 79 L 8.87 5.35 0.00 1.77 1.52 1.02 0.64 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 80 T 9.27 5.23 4.39 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 1.15 0.00 0.00 81 A 9.05 4.86 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 82 K 9.00 4.89 0.00 1.68 1.64 0.00 1.23 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.29 7.81 83 L 9.08 5.24 0.00 1.72 1.61 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 84 G 9.39 4.74 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 85 Y 8.77 5.56 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 86 P 0.00 4.87 0.00 2.24 2.09 0.00 4.12 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 87 I 8.57 4.02 1.77 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 1.10 0.67 0.89 0.00 0.00 88 T 7.27 4.74 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 89 D 8.73 4.52 0.00 2.69 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 90 D 7.67 4.61 0.00 2.70 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 91 L 8.00 4.98 0.00 1.60 1.35 0.72 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.91 5.33 0.00 2.53 2.47 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 93 I 7.99 4.74 1.17 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.71 0.75 0.00 0.00 94 Y 8.30 5.33 0.00 3.13 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 95 T 9.45 5.24 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 1.37 0.00 0.00 96 R 8.95 5.39 0.00 1.69 1.75 0.00 3.06 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 97 L 8.77 4.73 0.00 1.65 1.85 1.06 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.66 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 99 G 8.16 4.49 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 0.00 100 M 9.15 5.42 0.00 2.10 1.84 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.69 0.00 101 V 8.91 4.85 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 0.68 0.00 0.00 1.03 0.00 0.00 102 W 8.65 5.53 0.00 3.51 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 0.00 103 R 9.55 5.36 0.00 1.90 1.88 0.00 3.03 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 104 A 9.66 5.32 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 0.00 105 D 9.45 5.46 0.00 2.66 2.58 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 0.00 106 T 8.92 4.90 4.05 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 0.94 0.00 0.00 107 Y 8.12 4.54 0.00 3.18 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 0.00 108 S 8.97 4.95 0.00 3.95 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 0.00 109 N 8.86 4.65 0.00 2.78 2.91 0.00 0.00 6.82 7.68 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 0.00 110 V 7.57 4.06 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 1.07 0.00 0.00 0.97 0.00 0.00 111 Y 8.14 4.53 0.00 2.84 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 0.00 112 G 7.69 3.80 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 0.00 0.00 0.00 113 K 8.03 4.31 0.00 1.48 1.53 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.71 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.77 1.03 7.81 114 N 8.75 5.14 0.00 2.80 2.57 0.00 0.00 6.88 7.23 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 0.00 115 H 8.29 5.27 0.00 3.34 3.33 0.00 5.52 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 0.00 116 D 9.15 4.95 0.00 2.88 2.75 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 0.00 117 T 7.89 4.44 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 1.17 0.00 0.00 118 G 6.40 3.38 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 0.00 119 V 8.15 5.04 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 0.84 0.00 0.00 0.85 0.00 0.00 120 S 9.32 4.81 0.00 4.12 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 0.00 121 P 0.00 4.85 0.00 2.12 1.83 0.00 3.66 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 2.20 2.11 0.00 122 V 7.98 4.44 1.91 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 0.56 0.00 0.00 0.78 0.00 0.00 123 F 8.58 5.00 0.00 1.51 1.69 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 0.00 124 A 8.53 4.88 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 0.00 125 G 9.48 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 0.00 0.00 0.00 0.00 126 G 7.78 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 0.00 127 V 8.57 4.91 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 0.50 0.00 0.00 0.94 0.00 0.00 128 E 9.15 5.21 0.00 2.07 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 2.14 2.51 0.00 129 Y 9.41 5.07 0.00 2.88 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 0.00 130 A 8.96 4.52 1.20 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 0.00 0.00 131 I 8.69 3.83 1.88 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 1.38 0.85 0.91 0.00 0.00 132 T 7.37 4.77 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 1.22 0.00 0.00 133 P 0.00 4.22 0.00 2.02 2.12 0.00 3.64 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 2.01 2.08 0.00 134 E 8.12 4.10 0.00 2.07 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 2.14 2.09 0.00 135 I 7.57 5.20 1.89 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.16 0.94 0.00 0.00 136 A 9.08 5.33 1.17 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 0.00 137 T 8.94 5.24 4.29 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 1.22 0.00 0.00 138 R 9.09 5.40 0.00 2.14 2.12 0.00 2.40 0.00 0.00 3.04 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 139 L 9.10 5.28 0.00 1.88 1.65 1.01 0.82 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 0.00 140 E 9.50 5.15 0.00 2.16 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 2.25 2.40 0.00 141 Y 9.33 5.24 0.00 3.05 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 0.00 142 Q 8.69 4.94 0.00 2.16 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.38 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 143 W 8.74 5.53 0.00 3.32 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 0.00 144 T 8.34 4.88 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 1.17 0.00 0.00 145 N 7.89 4.86 0.00 3.11 3.00 0.00 0.00 6.90 6.88 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 *160 G 7.45 3.80 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 0.00 0.00 0.00 161 M 8.58 4.95 0.00 1.92 1.77 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 162 L 8.91 5.35 0.00 1.88 1.78 1.08 1.00 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 0.00 163 S 9.15 5.20 0.00 3.98 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 0.00 164 L 8.96 5.31 0.00 1.64 1.60 0.94 0.82 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 0.00 165 G 9.22 4.83 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 0.00 166 V 9.09 5.31 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 0.92 0.00 0.00 0.98 0.00 0.00 167 S 9.56 5.14 0.00 4.04 4.10 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 0.00 168 Y 9.22 5.05 0.00 2.90 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 0.00 169 R 7.81 4.62 0.00 1.51 1.71 0.00 3.14 0.00 0.00 3.08 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 170 F 9.04 4.06 0.00 3.34 3.24 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 0.00 171 G 8.22 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.