NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.2670 8.3344 115.2826 57.9131 63.5075 172.4969 1 L 4.5181 8.3560 128.9625 51.6300 43.0601 174.1008 2 I 4.0720 8.3687 121.2950 61.5939 39.7349 176.2550 3 W 4.9676 7.5637 119.9088 57.4725 29.2605 175.6656 4 K 4.4571 9.6000 121.8432 56.5180 33.3652 176.6721 5 R 4.6222 7.7633 115.8053 54.1292 32.7317 174.9361 6 K 4.5347 8.0021 118.2360 54.9344 34.3189 175.6652 7 I 4.3158 7.5935 120.9415 60.3642 40.9740 173.2389 8 T 4.6559 7.8272 112.7318 58.9009 71.6530 174.7130 9 L 3.9110 8.7273 125.4439 58.9047 41.2538 180.3216 10 E 3.9425 8.1174 116.4936 61.1947 30.0288 181.4347 11 A 4.2776 7.8954 121.7983 55.3204 18.4290 179.0119 12 L 3.5665 7.8310 116.5922 58.2870 41.0725 179.1365 13 N 4.3782 8.5950 116.2997 56.5472 38.5557 177.4044 14 A 3.7993 7.7501 121.7912 55.1148 18.1681 179.3284 15 M 4.0447 8.4023 117.2226 58.6785 32.2690 178.9599 16 G 3.8479 7.7496 104.4472 44.9852 0.0000 173.1892 17 E 4.1182 7.3705 121.7527 57.6793 29.6652 177.2809 18 G 4.0097 9.8403 112.9250 45.0475 0.0000 171.8466 19 N 5.0295 7.5499 115.5354 50.9605 40.6442 174.9204 20 M 3.8168 8.6756 117.1639 58.9735 32.1202 178.0682 21 V 3.5737 8.3793 117.5562 66.4078 31.2848 177.7799 22 G 3.9651 8.4971 109.2677 47.8092 0.0000 176.7328 *23 F 4.3735 7.3413 118.6455 58.7805 38.0110 177.8095 24 L 4.8020 8.2020 117.6504 53.9361 43.9464 175.7317 25 D 4.2309 7.8981 116.4544 55.1437 39.0216 174.1216 26 I 4.6059 7.6485 119.2136 59.5312 38.1979 176.8783 27 R 5.5341 8.1068 123.9042 53.3619 31.9093 175.6270 28 F 4.6013 9.4449 121.8334 57.5224 40.0556 175.3629 29 E 4.8016 8.1256 118.3800 56.3281 31.8210 174.8082 30 H 4.6461 8.1902 117.8123 56.6028 32.2732 173.6252 31 I 4.9089 7.9211 125.3099 60.1397 38.6279 175.1890 32 G 4.0076 8.6680 115.1518 44.5258 0.0000 171.7438 33 D 4.5036 8.7054 117.9587 57.0451 40.8512 177.7028 34 D 4.0374 7.3387 115.0649 52.3427 40.0661 174.9184 35 T 5.1086 7.8021 114.1593 63.3025 73.6013 172.7731 36 L 5.1291 9.1035 125.8706 53.8527 45.5249 175.1186 37 E 5.8594 8.8162 124.8369 54.3563 33.1905 174.5368 38 A 4.6071 7.8424 120.0527 51.7347 22.5183 175.0446 39 T 5.4671 7.9968 108.9178 59.6255 73.0584 172.1984 40 M 4.6686 8.0203 118.4735 54.1377 35.4651 173.7490 41 P 4.5753 0.0000 0.0000 63.1812 32.8678 176.7685 42 V 4.8859 8.1139 114.4561 63.4520 32.8794 173.9392 43 D 4.4855 7.8919 129.8778 52.1170 40.8294 178.2283 44 S 4.6338 8.8308 116.1498 59.2758 62.5617 175.0163 45 R 4.5458 8.4342 120.3677 56.8958 32.6695 176.0441 46 T 4.6917 7.6914 107.4408 60.9773 69.1821 173.6366 47 K 5.2982 8.0846 118.5323 54.7531 36.4231 176.1867 48 Q 4.5377 8.2787 119.3516 54.1637 30.4669 174.7652 49 P 4.1293 0.0000 0.0000 64.0398 30.9940 176.9256 50 F 4.6655 8.9286 115.2892 56.4716 40.3863 174.8483 51 G 3.8778 8.4067 107.9497 46.8708 0.0000 173.9289 52 L 5.0203 7.7350 116.8205 51.8532 46.6334 176.3604 53 L 4.2648 9.3685 125.1121 55.9731 42.5073 176.5098 54 H 4.1049 9.0592 127.3483 56.2744 30.5737 176.5742 55 G 3.4795 8.8715 112.1940 47.8373 0.0000 176.2046 56 G 3.6927 8.4654 107.3402 47.3714 0.0000 175.5050 57 A 4.0356 7.7386 123.2621 55.2114 18.3798 179.8977 58 S 4.0610 8.0117 113.2275 61.7245 62.9637 176.9639 59 V 3.6781 7.6419 120.6561 65.7686 31.1655 178.1735 60 V 3.5617 8.2448 118.5828 65.9332 31.4635 177.8223 61 L 3.9300 8.3373 121.1117 57.4012 41.8567 178.7196 62 A 3.9358 8.3329 121.0824 55.1909 18.4175 179.1522 63 E 3.8648 8.7433 118.2333 59.3158 29.3130 178.8078 64 S 4.1185 8.2661 114.6460 61.9205 62.8029 176.8253 65 I 4.0034 7.6582 123.3935 63.7594 36.8171 178.6878 66 G 3.3140 8.2534 106.7790 47.6006 0.0000 175.8203 67 S 4.1239 8.4536 117.7431 61.5890 62.9378 177.2472 68 V 3.6166 7.4591 113.9814 64.3844 31.0947 178.3290 69 A 3.9719 7.6702 119.3053 55.2892 18.3396 179.6354 70 G 4.2289 7.8716 105.4540 47.5849 0.0000 175.2937 71 Y 4.2374 8.0844 121.8762 60.5687 38.8580 177.9303 72 L 3.8999 8.6514 118.8440 56.3880 41.3303 177.8873 73 C 4.9709 7.8524 116.1727 58.7968 28.7177 172.6476 74 T 4.7330 7.4537 110.9608 59.7433 71.3397 172.8312 75 E 4.7421 9.5572 120.4542 55.1352 33.8397 179.0289 76 G 3.7523 8.2032 110.4425 47.3646 0.0000 174.6796 77 E 4.3217 8.9400 123.2917 56.5902 29.4496 176.4471 78 Q 4.5324 7.8328 118.5628 56.5114 29.6580 175.5943 79 K 4.9214 8.8174 119.3200 55.6402 37.3737 175.3301 80 V 5.1308 8.4345 113.7363 59.8378 35.4484 175.7645 81 V 4.4743 8.4439 115.9331 59.2187 35.2298 175.4109 82 G 3.9231 8.9531 113.1404 46.9302 0.0000 172.4101 83 L 4.6896 9.2234 125.3579 55.9296 43.1901 176.5636 84 E 4.7990 8.0001 118.5562 54.3866 33.2042 173.6114 85 I 5.3377 8.3277 125.1198 59.5856 41.5605 173.4359 86 N 5.2420 9.0357 124.1316 51.8397 41.2170 172.8958 87 A 5.0613 8.2947 119.4734 51.0548 22.5930 175.3474 88 N 4.6500 9.2869 119.7474 51.9350 40.7923 174.2507 89 H 4.8503 8.7066 122.3622 55.2694 28.3184 175.5248 90 V 4.1867 8.1018 115.2911 60.9239 32.6253 176.4462 91 R 4.2974 7.3339 118.2361 55.4100 32.6572 174.3181 92 S 4.5203 8.6274 119.7730 57.8398 64.3716 172.9019 93 A 4.7381 8.0735 121.8172 50.7930 21.7012 176.8434 94 R 4.1815 8.4866 115.8513 55.7288 31.3675 175.0479 95 E 4.6003 8.0611 114.3390 56.0126 32.4782 175.9752 96 G 4.3756 8.7458 105.3875 45.7056 0.0000 172.4391 97 R 4.9372 8.5434 118.9337 55.2589 34.2068 175.7526 98 V 4.6577 8.7243 121.8958 59.9520 34.5218 173.8784 99 R 4.9747 9.2691 125.0261 54.2173 32.3234 174.8354 100 G 4.2912 9.4887 114.8172 44.9719 0.0000 172.4730 101 V 4.6099 9.0489 125.3953 61.3670 33.9380 173.5646 102 C 5.3642 9.1618 129.7719 57.9455 33.3993 172.6574 103 K 5.3322 9.1282 124.7417 54.0417 36.3770 173.5950 104 P 4.3858 0.0000 0.0000 62.3035 32.0157 175.5465 105 L 4.5105 8.2526 121.1963 56.0344 43.9960 176.5858 106 H 4.2829 7.2130 115.5999 55.2780 33.2498 172.6918 107 L 4.3786 8.3240 126.2067 52.7758 42.2558 176.3393 108 G 3.8549 8.1553 113.6674 43.6838 0.0000 171.6550 109 S 4.3083 8.4304 112.7005 59.7569 63.5918 174.8817 110 R 4.5566 7.9251 119.6568 56.4872 32.2338 173.9750 111 H 5.3871 7.6823 111.3465 54.7315 31.7627 172.2391 112 Q 4.8600 9.2186 117.1597 54.2078 33.8227 174.4923 113 V 4.8412 8.3778 120.3906 61.1393 34.7373 174.2063 114 W 5.2826 9.6785 128.0280 54.9170 32.5826 174.2995 115 Q 5.1299 9.1122 124.7156 54.4423 31.3445 174.1886 116 I 4.9225 9.0171 127.1207 59.7606 40.4285 174.1068 117 E 4.7184 8.8236 127.4459 55.0015 31.3860 175.4180 118 I 4.7687 8.4823 125.5155 59.5427 39.7101 174.8330 119 F 5.4378 9.0641 125.0981 55.6536 43.0899 174.6068 120 D 5.0453 8.7262 121.6072 51.8114 41.5644 176.9608 121 E 3.7683 8.2821 115.3958 59.6920 29.1961 179.5785 122 K 4.0277 8.0117 116.6140 57.5757 32.3174 177.8003 123 G 3.9050 9.1029 108.0563 45.2902 0.0000 173.2545 124 R 4.2961 9.5008 121.1383 54.5000 30.5432 175.9535 125 L 4.2847 8.8195 125.4436 55.9674 42.6592 175.8606 126 C 4.7966 8.9691 123.1095 59.8362 31.4274 173.5171 127 C 5.0918 7.5803 117.2795 57.9345 35.2046 172.6922 128 S 5.0015 8.9231 120.1849 56.5297 64.7515 172.7924 129 S 5.2263 8.9281 121.0417 56.8074 66.9521 173.0421 130 R 5.2891 8.9623 118.6950 54.3967 34.2180 174.3057 131 L 5.2401 9.4262 123.9433 53.7007 45.6270 174.9982 132 T 5.2045 9.2886 123.5924 62.1288 70.8189 173.6378 133 T 5.2308 9.2895 116.2695 59.7902 72.9934 172.5105 134 A 5.1810 8.6130 123.4183 50.2765 22.1384 175.4502 135 I 4.6799 8.9245 123.1615 60.3021 38.4536 175.2928 136 L 4.6869 8.8775 128.1705 52.4967 43.9207 176.7169 137 E 4.1043 8.7974 123.2778 56.5306 29.6139 176.2213 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 0 S 8.33 4.27 0.00 3.80 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 1 L 8.36 4.52 0.00 1.67 1.53 1.05 0.80 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 2 I 8.37 4.07 1.68 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.16 0.69 0.00 0.00 3 W 7.56 4.97 0.00 3.32 3.15 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 4 K 9.60 4.46 0.00 1.89 1.86 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.64 7.81 5 R 7.76 4.62 0.00 1.54 1.66 0.00 2.21 0.00 0.00 2.71 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.54 0.00 6 K 8.00 4.53 0.00 1.93 1.65 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 0.95 7.81 7 I 7.59 4.32 1.72 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.38 0.60 0.00 0.00 8 T 7.83 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 1.17 0.00 0.00 9 L 8.73 3.91 0.00 1.70 1.81 0.96 1.02 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 10 E 8.12 3.94 0.00 2.06 1.88 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 2.23 1.96 0.00 11 A 7.90 4.28 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 12 L 7.83 3.57 0.00 1.50 0.77 0.28 0.14 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 13 N 8.59 4.38 0.00 2.83 2.94 0.00 0.00 7.07 6.96 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 14 A 7.75 3.80 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 15 M 8.40 4.04 0.00 1.90 2.22 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.46 0.00 16 G 7.75 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 17 E 7.37 4.12 0.00 1.93 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 0.00 2.35 2.35 0.00 18 G 9.84 4.01 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 0.00 0.00 0.00 19 N 7.55 5.03 0.00 2.88 2.88 0.00 0.00 5.84 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 20 M 8.68 3.82 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.57 0.00 21 V 8.38 3.57 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 1.03 0.00 0.00 0.95 0.00 0.00 22 G 8.50 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 0.00 0.00 0.00 *23 F 7.34 4.37 0.00 2.22 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 0.00 0.00 0.00 24 L 8.20 4.80 0.00 1.67 1.64 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 25 D 7.90 4.23 0.00 2.79 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 I 7.65 4.61 1.81 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 0.84 1.55 0.69 0.00 0.00 27 R 8.11 5.53 0.00 1.95 2.03 0.00 3.14 0.00 0.00 3.31 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 28 F 9.44 4.60 0.00 2.87 3.13 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 29 E 8.13 4.80 0.00 1.79 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 2.29 2.45 0.00 30 H 8.19 4.65 0.00 3.17 3.18 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.92 4.91 1.85 0.00 0.00 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 1.27 0.59 0.71 0.00 0.00 32 G 8.67 4.01 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 0.00 0.00 0.00 33 D 8.71 4.50 0.00 2.71 2.78 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 34 D 7.34 4.04 0.00 2.59 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 35 T 7.80 5.11 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 1.40 0.00 0.00 36 L 9.10 5.13 0.00 2.12 1.64 1.01 1.02 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 37 E 8.82 5.86 0.00 2.03 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 2.44 2.21 0.00 38 A 7.84 4.61 0.61 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 39 T 8.00 5.47 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 1.29 0.00 0.00 40 M 8.02 4.67 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 41 P 0.00 4.58 0.00 2.21 2.08 0.00 3.90 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 1.97 1.94 0.00 42 V 8.11 4.89 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 0.82 0.00 0.00 0.97 0.00 0.00 43 D 7.89 4.49 0.00 2.83 2.64 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 44 S 8.83 4.63 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 45 R 8.43 4.55 0.00 1.92 1.94 0.00 3.24 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 46 T 7.69 4.69 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 47 K 8.08 5.30 0.00 1.85 1.72 0.00 1.83 0.00 0.00 2.03 0.00 0.00 3.12 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.41 7.81 48 Q 8.28 4.54 0.00 2.40 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00 49 P 0.00 4.13 0.00 1.78 1.91 0.00 3.79 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 2.06 2.10 0.00 50 F 8.93 4.67 0.00 2.99 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 51 G 8.41 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 0.00 0.00 0.00 52 L 7.73 5.02 0.00 1.58 1.51 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 53 L 9.37 4.26 0.00 1.49 1.62 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 54 H 9.06 4.10 0.00 3.28 3.11 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.87 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.47 3.69 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 0.00 0.00 0.00 57 A 7.74 4.04 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 58 S 8.01 4.06 0.00 4.09 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 59 V 7.64 3.68 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 1.01 0.00 0.00 1.04 0.00 0.00 60 V 8.24 3.56 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 1.01 0.00 0.00 0.99 0.00 0.00 61 L 8.34 3.93 0.00 1.84 1.83 0.79 0.98 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 62 A 8.33 3.94 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 63 E 8.74 3.86 0.00 2.06 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 2.32 2.34 0.00 64 S 8.27 4.12 0.00 4.08 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 65 I 7.66 4.00 1.83 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 1.13 0.80 0.95 0.00 0.00 66 G 8.25 3.31 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 0.00 67 S 8.45 4.12 0.00 3.98 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 68 V 7.46 3.62 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 0.74 0.00 0.00 1.03 0.00 0.00 69 A 7.67 3.97 0.66 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 70 G 7.87 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 0.00 0.00 0.00 0.00 71 Y 8.08 4.24 0.00 3.06 3.13 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 72 L 8.65 3.90 0.00 1.64 1.38 0.05 0.64 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 73 C 7.85 4.97 0.00 3.44 3.11 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 74 T 7.45 4.73 4.43 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 1.36 0.00 0.00 75 E 9.56 4.74 0.00 1.96 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 2.19 2.20 0.00 76 G 8.20 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 0.00 0.00 0.00 77 E 8.94 4.32 0.00 2.00 2.03 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 2.33 2.29 0.00 78 Q 7.83 4.53 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.67 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 79 K 8.82 4.92 0.00 1.74 1.70 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.69 7.81 80 V 8.43 5.13 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 0.96 0.00 0.00 1.09 0.00 0.00 81 V 8.44 4.47 2.11 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 0.76 0.00 0.00 0.97 0.00 0.00 82 G 8.95 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 83 L 9.22 4.69 0.00 1.69 1.74 0.95 0.84 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 84 E 8.00 4.80 0.00 2.05 1.75 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 2.28 2.36 0.00 85 I 8.33 5.34 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.31 0.99 0.00 0.00 86 N 9.04 5.24 0.00 2.83 2.84 0.00 0.00 6.58 7.17 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 87 A 8.29 5.06 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 88 N 9.29 4.65 0.00 2.62 2.71 0.00 0.00 6.87 8.11 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 89 H 8.71 4.85 0.00 3.03 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.10 4.19 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 0.60 0.00 0.00 0.94 0.00 0.00 91 R 7.33 4.30 0.00 1.78 1.84 0.00 3.19 0.00 0.00 3.48 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 92 S 8.63 4.52 0.00 4.01 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 93 A 8.07 4.74 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 94 R 8.49 4.18 0.00 1.89 2.02 0.00 3.07 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 95 E 8.06 4.60 0.00 2.03 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 2.19 2.37 0.00 96 G 8.75 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 97 R 8.54 4.94 0.00 1.73 1.82 0.00 3.11 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 98 V 8.72 4.66 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 99 R 9.27 4.97 0.00 1.86 1.91 0.00 3.07 0.00 0.00 3.46 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 100 G 9.49 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 0.00 0.00 0.00 0.00 101 V 9.05 4.61 2.39 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 1.07 0.00 0.00 1.15 0.00 0.00 102 C 9.16 5.36 0.00 3.08 3.02 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 0.00 0.00 0.00 103 K 9.13 5.33 0.00 1.83 1.71 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.48 7.81 104 P 0.00 4.39 0.00 1.51 1.10 0.00 3.74 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 1.78 1.79 0.00 105 L 8.25 4.51 0.00 1.53 1.68 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 106 H 7.21 4.28 0.00 3.09 2.95 0.00 5.80 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.32 4.38 0.00 1.30 1.39 0.73 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.16 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 0.00 109 S 8.43 4.31 0.00 4.00 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 0.00 110 R 7.93 4.56 0.00 1.82 1.97 0.00 3.38 0.00 0.00 3.45 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 111 H 7.68 5.39 0.00 3.49 3.35 0.00 5.45 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 9.22 4.86 0.00 2.01 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 113 V 8.38 4.84 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 0.88 0.00 0.00 0.95 0.00 0.00 114 W 9.68 5.28 0.00 3.32 3.09 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 0.00 115 Q 9.11 5.13 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 116 I 9.02 4.92 1.90 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.55 0.92 0.00 0.00 117 E 8.82 4.72 0.00 2.00 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 2.21 2.30 0.00 118 I 8.48 4.77 1.74 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 1.17 0.64 0.87 0.00 0.00 119 F 9.06 5.44 0.00 3.00 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 0.00 120 D 8.73 5.05 0.00 2.80 2.85 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 0.00 121 E 8.28 3.77 0.00 2.21 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 2.32 2.33 0.00 122 K 8.01 4.03 0.00 1.92 1.93 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.51 7.81 123 G 9.10 3.91 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 0.00 124 R 9.50 4.30 0.00 2.24 1.92 0.00 3.17 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 125 L 8.82 4.28 0.00 1.69 1.63 0.49 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.97 4.80 0.00 2.81 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 0.00 127 C 7.58 5.09 0.00 2.97 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 0.00 128 S 8.92 5.00 0.00 3.85 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.93 5.23 0.00 4.13 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 0.00 130 R 8.96 5.29 0.00 1.98 1.86 0.00 3.13 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 131 L 9.43 5.24 0.00 1.77 1.67 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 132 T 9.29 5.20 4.30 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 1.29 0.00 0.00 133 T 9.29 5.23 4.47 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 1.41 0.00 0.00 134 A 8.61 5.18 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 0.00 135 I 8.92 4.68 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.69 0.96 0.00 0.00 136 L 8.88 4.69 0.00 1.59 1.60 0.95 0.56 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 0.00 137 E 8.80 4.10 0.00 1.93 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 2.31 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.