NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 T 4.1987 8.1701 112.9183 58.6557 69.9988 176.6730 18 A 3.8344 8.1085 124.1335 55.1192 19.0854 178.1270 19 P 3.9296 0.0000 0.0000 60.2692 34.6083 177.8158 20 K 4.2432 9.9839 120.0564 55.2654 29.2436 174.4401 21 S 3.9788 8.2719 124.2534 58.7698 62.3084 171.3301 22 D 4.2131 9.9000 121.9658 52.8180 39.7377 174.8600 23 N 3.9165 8.8794 108.6916 55.6130 32.8955 171.9917 24 V 3.1997 7.6860 122.8456 63.7119 32.7527 179.3691 *25 Y 4.0808 7.0579 121.0540 60.9806 37.8555 180.8134 26 L 4.2093 8.1507 127.3402 60.0042 41.4100 182.3157 27 K 4.3577 9.0066 128.0751 60.1226 31.6929 181.1828 28 L 4.2204 7.9795 125.9580 60.0818 40.6701 181.5437 29 L 4.2435 8.2468 126.0065 60.2128 40.5594 181.9744 30 V 3.9166 7.9039 123.0549 66.8541 31.2071 180.6163 31 K 4.5414 8.1816 126.7349 60.3056 31.4686 181.1303 32 L 4.2694 8.1218 124.9542 60.3099 40.4540 181.9244 *33 Y 4.2568 7.8666 122.2066 62.9080 37.2284 180.6300 34 T 4.2848 8.8112 118.9035 66.4878 68.4363 178.6686 *35 F 4.4753 10.6693 123.6878 62.5901 38.4470 180.1463 36 L 4.4102 8.1503 121.2320 55.1829 43.8278 174.3558 37 A 3.8553 8.6971 126.8841 55.0139 18.6139 177.9067 38 R 4.2631 9.0322 127.1078 58.0230 29.5594 177.8553 39 R 4.0615 8.6273 115.4185 58.0771 28.1745 181.3875 40 T 4.1168 9.2982 106.2130 62.3179 70.5594 177.6395 41 D 4.8918 8.2207 127.0013 55.7730 40.0307 176.5591 42 A 3.9038 10.1337 122.2592 54.4399 15.5769 176.2415 43 P 5.1701 0.0000 0.0000 65.2117 37.9700 174.6096 *44 F 3.8465 8.1531 119.9736 59.7745 37.8787 179.0721 45 N 4.6562 8.5452 123.1906 56.2197 36.9959 184.3876 46 K 4.7186 7.5036 124.6326 59.6505 33.3149 180.7561 47 V 3.9101 8.0578 122.3316 67.0233 31.6461 181.3909 48 V 4.1546 8.3980 121.5141 65.0444 31.4519 180.7832 49 L 4.3670 8.1855 124.4838 60.6999 40.8449 185.0000 50 K 4.2547 7.9979 123.6265 58.8051 31.5093 180.6789 51 A 4.4471 8.1581 122.1114 56.3249 18.4754 179.9881 52 L 4.0802 7.7593 122.0770 60.2245 40.8711 181.1702 *53 F 5.0722 8.0248 118.5098 59.8670 38.0884 178.6823 54 L 3.9840 7.1321 121.7439 54.5430 41.1239 179.7281 55 S 4.6637 8.4353 118.0968 57.5781 63.5606 177.1601 56 K 3.7049 8.7008 122.4434 58.6950 31.7012 177.5245 57 I 4.2974 7.3367 117.3194 59.6950 37.2706 180.9536 58 N 4.1629 8.8222 115.1731 54.6408 35.4157 174.6116 59 R 4.5955 7.7396 118.2739 54.9780 31.5323 180.6203 60 P 4.2169 0.0000 0.0000 63.0552 29.9496 173.1501 61 P 4.2365 0.0000 0.0000 63.2172 30.1909 176.5528 62 V 3.8257 7.7001 123.5843 61.4164 33.0779 178.2118 63 S 5.2460 8.4413 125.9239 58.3422 65.4197 174.2175 64 V 3.8806 8.0055 125.5195 67.7895 31.4956 180.1933 65 S 4.5741 8.3796 121.4247 64.5283 61.8207 178.9122 66 R 4.2872 8.0257 126.4072 61.3351 29.1144 180.6438 67 I 3.9878 8.3566 120.1141 63.4231 35.7928 178.4486 68 A 4.7971 8.5849 122.9229 55.5504 20.5023 179.2395 69 R 4.0408 7.9697 117.5419 62.4561 29.4754 179.9192 70 A 4.1861 8.3037 121.9264 54.7871 18.4071 178.5373 71 L 3.9265 7.4750 119.4800 54.8280 41.8759 180.7775 72 K 3.8480 8.3366 114.4819 57.2861 27.1645 174.7354 73 Q 4.3216 7.3386 122.4247 51.6792 31.4943 176.6548 74 E 3.7832 8.8255 112.0056 55.5612 28.4391 177.1201 75 G 3.9268 8.0988 104.9658 45.8428 0.0000 173.9382 76 A 5.0087 6.5469 128.5638 52.1858 22.8207 176.7783 77 A 4.5145 7.7910 125.2037 53.7395 24.4706 178.1659 78 N 4.4331 8.4516 112.7040 53.7098 37.2832 180.8985 79 K 4.6345 7.7312 124.8784 56.2556 34.2842 181.5712 80 T 5.1975 9.4672 115.9043 60.4367 70.4460 174.1533 81 V 4.1425 8.5026 129.5608 61.6017 32.9570 174.9279 82 V 4.6686 8.4179 125.5764 61.4573 33.4355 175.6189 83 V 3.6891 8.1578 121.7451 62.2210 30.9611 179.9278 84 V 4.1064 8.4330 121.6783 60.0488 31.8900 173.2449 85 G 3.9807 8.0108 113.9805 46.4526 0.0000 172.6022 86 T 4.3370 8.5311 118.3034 63.6889 70.2700 171.6056 87 V 4.9829 7.9531 115.2194 64.4496 35.4163 169.4505 88 T 3.9840 8.3927 123.5974 60.8022 69.5812 171.6505 89 D 4.2354 8.9874 121.7775 54.0955 40.3972 178.4965 90 D 4.7403 8.0609 119.2724 52.5982 39.3778 176.5201 91 A 4.5728 8.1257 122.0135 52.3566 19.2770 176.1351 92 R 4.3652 8.0050 122.2747 54.3335 28.6017 172.9533 93 I 3.7390 7.7706 125.8797 58.3421 35.3034 175.3609 *94 F 3.7960 8.9872 124.4451 56.6200 38.6762 175.5297 95 E 3.6501 8.7367 115.3327 58.2447 27.7452 167.8351 *96 F 3.6518 8.8656 123.3878 58.9984 36.6878 169.9877 97 P 5.7055 0.0000 0.0000 62.5166 29.8435 171.7619 98 K 4.0381 7.7684 113.2542 56.5580 27.7967 177.6838 99 T 4.8494 7.7150 123.6919 60.5491 73.8388 171.5473 100 T 5.0029 8.1099 116.7873 61.6399 71.3210 174.9295 101 V 4.7383 8.2843 120.6197 61.2921 36.2307 168.4790 102 A 4.4532 7.5944 128.4754 53.2362 22.4223 176.2684 103 A 4.5856 8.7326 121.7514 54.9097 22.1903 178.1390 104 L 3.0232 8.0187 112.1681 56.3931 41.8521 177.4509 105 R 4.9506 6.0953 124.0297 56.7508 34.3961 177.9458 *106 F 4.8673 8.4629 115.9343 58.6234 41.8625 171.1494 107 T 3.9060 8.2036 116.1334 61.3434 69.4381 174.0652 108 A 3.5797 9.3460 119.5577 56.6344 18.1196 180.1897 109 G 4.0850 8.5829 108.2205 47.4695 0.0000 175.8290 110 A 4.3211 7.9952 123.0258 52.1522 17.4691 178.7391 111 R 4.0627 8.7699 121.9595 57.8209 28.5767 177.5040 112 A 5.2649 7.9002 135.0000 53.0953 18.2631 180.0031 113 K 4.1644 8.7274 123.2524 60.0701 31.6965 182.1889 114 I 4.1414 7.7599 122.0303 64.7957 35.2342 181.1260 115 V 4.1814 7.7486 119.5732 66.0926 31.8817 184.2460 116 K 4.2052 8.3480 121.6323 61.5919 31.7680 185.0000 117 A 3.4674 7.8514 119.3327 49.4629 20.6680 176.5492 118 G 4.1813 7.6626 99.6663 42.7577 0.0000 170.2860 119 G 4.8796 8.9153 113.6129 45.7947 0.0000 177.2766 120 E 4.6461 8.8803 129.4961 55.3123 33.4657 173.6122 121 C 4.4799 9.0912 125.4549 57.7898 26.4470 171.3484 122 I 3.7869 8.3714 126.2528 61.0560 35.5817 175.7563 123 T 3.2922 7.8713 105.7652 62.9386 64.9259 179.2338 124 L 3.8909 8.4743 129.9796 56.1911 40.9207 177.0047 125 D 4.6183 9.0990 120.6661 56.8109 40.8348 184.4504 126 Q 4.0265 8.2798 120.0600 58.8170 28.4920 183.1321 127 L 4.7338 7.4287 118.2466 52.7591 39.7406 178.3331 128 A 4.7546 7.9449 126.0056 54.5413 26.3000 180.0353 129 V 3.8849 8.1551 113.8736 63.0265 32.0798 179.8211 130 R 4.4349 7.9700 114.5319 58.8377 31.2554 182.9694 131 A 4.2588 8.2492 120.8968 53.2984 18.3608 178.4757 132 P 4.5589 0.0000 0.0000 66.7197 30.6805 182.5802 133 K 4.1690 7.3045 120.4375 54.4666 32.1889 178.0318 134 G 3.4453 7.7569 114.0508 45.7742 0.0000 174.8187 135 Q 4.0467 7.9389 121.5672 56.2962 28.9681 181.4400 136 N 4.2288 8.8475 115.8318 54.6531 34.8986 176.1024 137 T 5.2945 7.6215 113.7615 59.5436 72.7785 177.0089 138 L 4.5436 8.5205 131.5650 52.7210 43.0006 173.3004 139 I 4.2260 8.5504 128.4270 60.1820 35.3671 172.8670 140 L 4.8344 8.5845 133.2481 52.8519 43.9705 173.8018 141 R 4.7343 8.3275 122.0078 53.5732 33.4046 171.2616 142 G 3.8867 8.2268 108.8118 43.8740 0.0000 171.0520 143 P 5.4356 0.0000 0.0000 60.4481 31.6697 171.4202 144 R 4.3997 7.7656 119.0677 56.5279 30.0988 176.1952 145 N 3.8060 9.7186 122.7773 53.6504 36.9420 173.7625 146 S 4.9855 10.2944 117.2573 59.7645 60.1258 169.1506 147 R 4.7117 7.5752 119.0018 54.9381 32.9931 176.5531 148 E 4.7553 8.7958 118.1061 53.1779 32.5480 171.0755 149 A 4.5538 8.3202 126.4893 52.0614 21.8680 178.8493 150 V 4.4256 7.4313 116.8458 59.3641 34.6281 177.8893 151 R 4.4070 8.3488 117.6206 56.6854 31.4270 170.7986 *152 H 4.1775 9.0173 123.8525 56.0834 27.8362 172.8160 *153 F 5.6680 7.8505 135.0000 55.9608 39.2324 169.2474 154 G 4.2549 7.9989 115.8922 47.4167 0.0000 171.8671 155 M 4.5692 7.7396 116.9734 53.1447 34.0260 177.8463 156 G 3.7800 7.9844 109.8534 46.4966 0.0000 172.6264 157 P 4.3690 0.0000 0.0000 63.2465 31.1732 173.2465 *158 H 4.9213 8.5013 114.8098 54.8707 31.0628 174.6923 159 K 4.2795 8.6976 119.1383 55.6357 31.4663 177.2442 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 17 T 8.17 4.20 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 18 A 8.11 3.83 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 3.93 0.00 2.14 1.09 0.00 3.72 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 1.92 1.64 0.00 20 K 9.98 4.24 0.00 1.83 2.13 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.18 0.87 7.81 21 S 8.27 3.98 0.00 3.80 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 22 D 9.90 4.21 0.00 2.76 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 23 N 8.88 3.92 0.00 2.72 3.10 0.00 0.00 6.70 7.67 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 24 V 7.69 3.20 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 0.67 0.00 0.00 0.93 0.00 0.00 *25 Y 7.06 4.08 0.00 2.33 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 0.00 0.00 0.00 0.00 26 L 8.15 4.21 0.00 1.73 1.66 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.01 4.36 0.00 1.69 1.85 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.33 7.81 28 L 7.98 4.22 0.00 1.64 1.75 0.92 0.55 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 29 L 8.25 4.24 0.00 1.63 1.73 0.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.90 3.92 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 0.71 0.00 0.00 0.93 0.00 0.00 31 K 8.18 4.54 0.00 1.77 1.82 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.34 7.81 32 L 8.12 4.27 0.00 1.64 1.74 0.92 0.83 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 *33 Y 7.87 4.26 0.00 2.42 2.22 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 34 T 8.81 4.28 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 *35 F 10.67 4.48 0.00 2.38 2.23 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 36 L 8.15 4.41 0.00 1.69 1.53 0.92 1.05 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 37 A 8.70 3.86 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 38 R 9.03 4.26 0.00 2.01 1.94 0.00 3.29 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 39 R 8.63 4.06 0.00 1.82 1.57 0.00 3.27 0.00 0.00 3.26 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 40 T 9.30 4.12 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 41 D 8.22 4.89 0.00 2.69 2.33 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 0.00 42 A 10.13 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 43 P 0.00 5.17 0.00 1.97 1.95 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.57 0.00 *44 F 8.15 3.85 0.00 2.29 2.27 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 45 N 8.55 4.66 0.00 2.71 2.67 0.00 0.00 6.98 7.84 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 46 K 7.50 4.72 0.00 1.77 1.74 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.13 7.81 47 V 8.06 3.91 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 0.75 0.00 0.00 0.93 0.00 0.00 48 V 8.40 4.15 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 0.71 0.00 0.00 0.93 0.00 0.00 49 L 8.19 4.37 0.00 1.64 1.66 0.92 0.66 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 50 K 8.00 4.25 0.00 1.85 1.77 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.09 7.81 51 A 8.16 4.45 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 52 L 7.76 4.08 0.00 1.76 1.62 0.92 0.70 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 *53 F 8.02 5.07 0.00 2.31 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 0.00 0.00 0.00 0.00 54 L 7.13 3.98 0.00 1.70 1.54 0.92 0.89 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 55 S 8.44 4.66 0.00 3.65 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 56 K 8.70 3.70 0.00 1.77 1.77 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.01 7.81 57 I 7.34 4.30 1.87 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 1.16 0.61 0.91 0.00 0.00 58 N 8.82 4.16 0.00 2.89 2.81 0.00 0.00 6.38 7.66 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 59 R 7.74 4.60 0.00 1.81 1.77 0.00 3.26 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 60 P 0.00 4.22 0.00 2.08 1.60 0.00 3.70 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 1.95 1.61 0.00 61 P 0.00 4.24 0.00 2.16 2.16 0.00 3.71 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 1.74 1.36 0.00 62 V 7.70 3.83 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 0.67 0.00 0.00 0.93 0.00 0.00 63 S 8.44 5.25 0.00 3.72 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 64 V 8.01 3.88 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 0.90 0.00 0.00 0.93 0.00 0.00 65 S 8.38 4.57 0.00 3.72 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 66 R 8.03 4.29 0.00 1.81 1.91 0.00 3.24 0.00 0.00 3.37 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 67 I 8.36 3.99 1.87 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 1.45 1.10 0.91 0.00 0.00 68 A 8.58 4.80 1.33 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 0.00 0.00 0.00 69 R 7.97 4.04 0.00 1.91 1.89 0.00 3.29 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 70 A 8.30 4.19 1.29 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 0.00 0.00 71 L 7.47 3.93 0.00 1.68 1.50 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.34 3.85 0.00 1.84 1.73 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 0.98 7.81 73 Q 7.34 4.32 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 5.86 0.00 0.00 0.00 0.00 0.00 2.24 1.88 0.00 74 E 8.83 3.78 0.00 2.17 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 0.00 2.10 1.86 0.00 75 G 8.10 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 0.00 0.00 0.00 76 A 6.55 5.01 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 77 A 7.79 4.51 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 78 N 8.45 4.43 0.00 2.76 2.72 0.00 0.00 6.52 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 79 K 7.73 4.63 0.00 1.56 1.63 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.25 7.81 80 T 9.47 5.20 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 81 V 8.50 4.14 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 0.65 0.00 0.00 0.93 0.00 0.00 82 V 8.42 4.67 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 0.85 0.00 0.00 0.93 0.00 0.00 83 V 8.16 3.69 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 0.87 0.00 0.00 0.93 0.00 0.00 84 V 8.43 4.11 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 0.89 0.00 0.00 0.93 0.00 0.00 85 G 8.01 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 0.00 0.00 0.00 86 T 8.53 4.34 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 87 V 7.95 4.98 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 0.70 0.00 0.00 0.93 0.00 0.00 88 T 8.39 3.98 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 8.99 4.24 0.00 2.69 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 90 D 8.06 4.74 0.00 2.87 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 91 A 8.13 4.57 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 92 R 8.01 4.37 0.00 1.74 1.85 0.00 3.29 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.17 0.00 93 I 7.77 3.74 1.87 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 1.27 1.09 0.91 0.00 0.00 *94 F 8.99 3.80 0.00 2.33 2.57 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 0.00 0.00 0.00 0.00 95 E 8.74 3.65 0.00 2.16 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 2.11 1.86 0.00 *96 F 8.87 3.65 0.00 2.46 2.23 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 97 P 0.00 5.71 0.00 2.19 2.06 0.00 3.75 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 1.71 1.30 0.00 98 K 7.77 4.04 0.00 1.85 1.96 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.00 7.81 99 T 7.72 4.85 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 0.00 100 T 8.11 5.00 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 0.00 101 V 8.28 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 1.04 0.00 0.00 0.93 0.00 0.00 102 A 7.59 4.45 1.27 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 0.00 103 A 8.73 4.59 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 0.00 104 L 8.02 3.02 0.00 1.69 1.33 0.92 0.63 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 0.00 105 R 6.10 4.95 0.00 1.48 1.71 0.00 3.23 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.00 *106 F 8.46 4.87 0.00 2.00 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 0.00 0.00 0.00 0.00 107 T 8.20 3.91 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 0.00 108 A 9.35 3.58 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 0.00 109 G 8.58 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.00 4.32 1.11 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 0.00 0.00 111 R 8.77 4.06 0.00 1.84 1.84 0.00 3.43 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.25 0.00 112 A 7.90 5.26 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.73 4.16 0.00 1.73 1.82 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.17 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 114 I 7.76 4.14 1.87 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 1.50 0.54 0.91 0.00 0.00 115 V 7.75 4.18 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 0.95 0.00 0.00 0.93 0.00 0.00 116 K 8.35 4.21 0.00 1.87 1.74 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.32 7.81 117 A 7.85 3.47 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 118 G 7.66 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 0.00 119 G 8.92 4.88 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 0.00 0.00 0.00 120 E 8.88 4.65 0.00 1.61 1.77 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 2.21 1.88 0.00 121 C 9.09 4.48 0.00 2.75 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 0.00 122 I 8.37 3.79 1.87 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 1.27 0.54 0.91 0.00 0.00 123 T 7.87 3.29 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 0.00 124 L 8.47 3.89 0.00 1.65 1.64 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 125 D 9.10 4.62 0.00 2.51 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 0.00 126 Q 8.28 4.03 0.00 1.96 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.27 0.00 0.00 0.00 0.00 0.00 2.38 1.97 0.00 127 L 7.43 4.73 0.00 1.68 1.56 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.94 4.75 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 0.00 129 V 8.16 3.88 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 0.70 0.00 0.00 0.93 0.00 0.00 130 R 7.97 4.43 0.00 1.80 1.83 0.00 3.24 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.00 131 A 8.25 4.26 1.36 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 0.00 132 P 0.00 4.56 0.00 2.11 1.96 0.00 3.64 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.61 0.00 133 K 7.30 4.17 0.00 1.77 1.65 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.00 7.81 134 G 7.76 3.45 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 0.00 135 Q 7.94 4.05 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.69 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 136 N 8.85 4.23 0.00 2.74 2.81 0.00 0.00 6.51 7.22 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 0.00 137 T 7.62 5.29 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 0.00 138 L 8.52 4.54 0.00 1.31 1.59 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 139 I 8.55 4.23 1.87 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 1.20 1.10 0.91 0.00 0.00 140 L 8.58 4.83 0.00 1.29 1.54 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 141 R 8.33 4.73 0.00 1.76 1.65 0.00 3.27 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 142 G 8.23 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 0.00 0.00 0.00 143 P 0.00 5.44 0.00 2.19 2.06 0.00 3.69 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 1.73 1.33 0.00 144 R 7.77 4.40 0.00 1.76 1.71 0.00 3.38 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 145 N 9.72 3.81 0.00 2.83 2.67 0.00 0.00 7.14 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 0.00 146 S 10.29 4.99 0.00 3.70 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 0.00 147 R 7.58 4.71 0.00 1.76 1.66 0.00 3.17 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 148 E 8.80 4.76 0.00 1.93 1.70 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 2.11 1.83 0.00 149 A 8.32 4.55 1.21 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 0.00 150 V 7.43 4.43 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 0.77 0.00 0.00 0.93 0.00 0.00 151 R 8.35 4.41 0.00 1.76 1.71 0.00 3.26 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 *152 H 9.02 4.18 0.00 2.92 2.96 0.00 7.30 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *153 F 7.85 5.67 0.00 2.35 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 0.00 0.00 0.00 0.00 154 G 8.00 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 0.00 155 M 7.74 4.57 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.09 0.00 156 G 7.98 3.78 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 0.00 157 P 0.00 4.37 0.00 2.10 1.89 0.00 3.70 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 1.95 1.60 0.00 *158 H 8.50 4.92 0.00 2.89 2.83 0.00 7.14 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.70 4.28 0.00 1.82 2.02 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.19 0.90 7.81 * Residues marked with a * may have inaccurate shift predictions.