NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 L 4.3586 8.1849 122.5046 54.7915 43.1287 176.7161 9 Q 4.0572 8.6425 125.2051 54.9760 29.7075 173.5456 10 S 4.7175 8.3539 110.5549 57.8979 66.1345 172.5077 11 Q 4.8199 7.5925 120.2108 54.2221 30.9744 174.5831 12 F 4.8572 8.7004 124.2384 55.7882 43.2953 174.4327 13 F 4.7985 9.3839 120.6522 55.5985 41.7378 176.3817 14 I 3.6184 8.7211 119.1734 64.9287 37.1787 177.3086 15 E 4.0149 8.1782 117.6522 59.8428 29.5126 178.6174 16 H 4.8404 8.4598 116.3623 59.0086 28.7777 177.9372 17 I 4.0503 7.9750 121.2869 64.5198 36.7907 178.3226 18 L 4.0304 8.0578 118.8513 57.5531 41.6042 178.8689 19 Q 4.1458 7.9927 116.7720 56.7914 28.5990 176.9822 20 I 3.4485 7.1777 118.4151 62.4526 38.9758 176.0501 21 L 4.1734 7.6441 119.5573 53.6557 42.0347 175.7749 22 P 4.3275 0.0000 0.0000 64.7753 31.9789 176.6248 23 H 4.2142 7.9858 115.9768 56.2362 29.1925 174.2220 24 R 4.7210 8.0456 119.8171 54.3247 34.3989 173.7226 25 Y 4.2854 8.6005 120.0357 57.8011 39.0591 174.2203 26 P 3.9466 0.0000 0.0000 63.1305 31.8650 175.5868 27 M 4.5594 8.7498 115.7996 55.9258 33.2644 175.9551 28 L 4.5597 7.9172 121.8078 53.9375 41.5533 176.2271 29 L 4.8268 9.0795 130.4007 54.0613 42.3024 177.5157 30 V 4.5008 7.6310 117.3195 61.6205 34.1993 173.8556 31 D 4.6853 8.6877 127.1600 55.7873 42.2525 176.7899 32 R 4.4123 7.0312 115.8811 55.1097 33.8242 173.5522 33 I 4.5580 8.4719 126.0301 59.9536 38.7179 176.4559 34 T 4.2492 8.8337 118.6076 63.5141 70.0152 175.1401 35 E 5.0603 7.8122 117.8694 55.1056 33.1650 174.2748 36 L 4.9640 8.6546 123.7903 54.1540 45.7911 174.6597 37 Q 4.7046 9.4349 125.8490 53.6976 31.1765 175.1337 38 A 4.1262 8.8918 126.9156 54.1322 18.6480 176.8897 39 N 4.5584 9.4787 118.2921 54.1253 37.1384 173.9445 40 Q 4.7617 8.0401 114.8314 56.2714 31.4826 175.6149 41 K 5.0779 7.6979 115.1077 56.2551 36.8297 173.5342 42 I 5.0360 8.7514 119.4939 59.7526 42.0657 173.4784 43 V 4.9737 8.9911 127.1152 61.3088 34.6600 174.3071 44 A 5.2866 8.9483 128.5042 51.6652 23.3673 173.4886 45 Y 4.8702 8.3590 114.7349 56.2974 42.0082 173.7365 46 K 4.8905 8.7513 120.9683 54.6819 35.5094 175.1289 47 N 4.9236 9.6535 125.6475 53.2728 39.6726 174.5070 48 I 4.6307 8.5844 123.4357 59.9256 39.7243 174.7271 49 T 4.9613 9.5476 121.3248 59.9857 70.7541 174.5661 50 F 3.8246 8.9775 127.1691 61.0226 39.8125 176.2435 51 N 4.7499 7.5398 118.0553 53.5212 38.1806 174.3820 52 E 4.8037 7.9792 116.1506 54.0528 33.1665 176.8735 53 D 4.3302 8.9035 122.6519 57.4381 41.7653 178.3888 54 V 3.3565 7.7028 117.8794 66.0886 31.3691 177.7633 55 F 4.4608 7.6257 116.2757 59.9987 38.3952 177.1990 56 N 4.6563 8.1478 116.1533 55.1917 38.2906 175.8401 57 G 4.1488 7.7391 105.9673 45.2609 0.0000 173.3253 58 H 3.8023 7.7974 118.6818 54.0701 30.3223 171.6858 59 F 5.2215 9.0899 122.0319 53.9766 43.2045 173.0299 60 P 4.4766 0.0000 0.0000 64.4433 31.2350 176.9883 61 N 4.5354 9.9382 119.0133 53.6717 36.6423 175.2971 62 K 4.6238 8.1917 119.8861 54.1879 33.3241 170.9183 63 P 5.0288 0.0000 0.0000 63.0307 32.0935 176.6741 64 I 4.8801 8.8170 126.4132 58.9466 39.8055 175.5407 65 F 4.1978 9.5971 131.3067 57.4450 40.0627 173.2911 66 P 3.8064 0.0000 0.0000 62.9041 31.9958 177.2114 67 G 3.1783 8.5624 109.7270 48.0497 0.0000 176.1151 68 V 3.7673 7.4854 114.0370 64.0024 31.5800 178.3411 69 L 4.0676 7.5524 118.2883 57.1254 41.4065 179.4605 70 I 4.1989 7.7011 120.1927 64.3599 37.1120 178.4523 71 V 3.6994 7.9744 118.7252 66.0143 31.4424 177.4191 72 E 4.2689 8.4657 119.2570 59.3813 29.4669 179.0639 73 G 3.6827 8.1037 107.0205 47.4664 0.0000 175.6439 74 M 3.6244 7.6966 120.7234 57.7897 31.9414 178.7274 75 A 3.8447 8.0422 120.9836 55.2367 18.4837 179.7462 76 Q 3.8627 8.0353 116.6036 58.9953 28.7934 179.1643 77 S 4.1420 7.8287 116.4032 61.5485 62.8850 177.0199 78 G 3.6757 8.3126 108.8758 47.5915 0.0000 175.9293 79 G 3.5519 8.3726 108.4498 47.5640 0.0000 175.5525 80 F 3.8634 8.3459 123.1849 60.7451 39.4998 177.0126 81 L 3.9391 7.9710 119.5762 57.9350 41.8970 178.6900 82 A 2.0000 7.9103 120.8848 54.3004 18.0605 179.2698 83 F 3.7816 7.9294 119.2935 61.7059 39.5412 177.5458 84 T 4.3467 7.6191 110.3433 64.1952 68.2388 176.5072 85 S 4.1740 7.4545 117.0306 60.9869 62.8836 176.1953 86 L 3.8116 7.0530 120.8283 56.5224 41.5780 177.9173 87 W 4.4577 7.5173 115.4152 55.6055 30.5457 177.8884 88 G 4.3305 7.6353 108.1405 45.7557 0.0000 172.7378 89 F 4.2751 8.6984 119.7677 57.0479 38.0220 174.6611 90 D 4.6260 8.0401 123.1348 50.5933 42.9038 172.9648 91 P 4.3210 0.0000 0.0000 64.7568 31.2193 178.2306 92 E 3.8808 8.0683 116.2282 59.2753 29.6919 178.8661 93 I 3.7375 7.7018 119.6792 63.8359 37.2369 178.1617 94 A 3.6443 7.8225 122.0022 54.6186 17.8789 179.5374 95 K 3.8578 7.8907 115.6921 59.0984 32.7439 177.6146 96 T 4.4478 7.5055 107.8338 61.0785 69.0262 173.1217 97 K 5.1333 7.7626 121.2142 55.1260 34.3697 175.3233 98 I 4.5640 8.9476 116.2188 58.9824 41.6481 174.0666 99 V 4.7755 7.7900 120.7457 61.4181 34.0795 173.8328 100 Y 4.8310 9.1057 125.7570 56.1612 40.5430 174.8194 101 F 4.4667 9.0304 125.6225 58.7379 39.9609 174.1062 102 M 4.8134 9.4141 125.2873 56.8947 33.8616 176.1233 103 T 4.8775 7.8159 106.3301 60.5548 72.7910 172.4457 104 I 5.2355 8.1674 121.9690 60.0809 41.1090 174.3792 105 D 4.6907 9.5480 125.2994 52.4386 45.8873 175.0510 106 K 3.7936 8.3017 117.2942 57.5215 29.7818 175.4077 107 V 4.9064 7.3199 109.7999 59.4637 33.7434 177.1842 108 K 4.4279 7.9535 124.6733 54.7940 35.6826 174.3790 109 F 5.1253 8.8854 125.8748 56.5111 39.9606 175.2689 110 R 4.5761 9.0123 122.3458 57.1213 31.8878 177.0016 111 I 4.6719 7.6648 117.4261 58.3996 40.4384 173.3412 112 P 4.6063 0.0000 0.0000 62.8848 32.3645 175.5012 113 V 4.7111 8.5365 122.0388 61.8433 33.8052 174.5191 114 T 5.1666 9.0918 116.5798 58.8885 73.0095 171.3501 115 P 4.4191 0.0000 0.0000 64.6890 31.5106 177.1241 116 G 3.9961 9.4897 111.9708 44.9656 0.0000 173.1766 117 D 4.6323 7.9161 119.9656 53.5944 42.7973 175.9025 118 R 4.5055 8.2970 122.5396 54.5085 30.8806 175.1746 119 L 4.1712 8.4741 129.6955 54.4454 42.7229 174.6819 120 E 4.6780 9.1581 129.2373 55.2373 31.4004 174.2737 121 Y 5.2216 9.1829 126.0701 57.2210 40.3012 174.4319 122 H 5.1064 9.7784 121.0803 54.2166 32.1005 172.4322 123 L 5.3510 8.8920 123.5283 52.8478 45.2692 175.8036 124 E 5.1451 9.2322 121.7607 54.3767 33.6817 175.3414 125 V 4.1566 9.1995 124.4588 63.0250 31.3303 175.7283 126 L 4.3629 8.9285 129.4294 57.0049 42.7759 177.5661 127 K 4.3479 7.7150 115.7031 55.9166 35.2980 173.5994 128 H 4.9231 8.3104 121.1986 54.1342 31.7833 173.2052 129 K 4.0369 8.7406 122.8586 56.0040 35.1071 176.2539 130 G 3.8859 8.0593 118.1650 47.4593 0.0000 175.6246 131 M 4.3692 8.7008 126.0514 56.2197 32.4188 175.0896 132 I 4.5426 7.7025 120.8942 60.2532 38.3443 174.7569 133 W 4.8402 9.2485 127.8421 54.6745 32.1733 174.8089 134 Q 4.9950 9.5295 126.2439 54.7717 30.5607 174.6575 135 V 5.0328 8.7676 119.9881 59.9376 35.4565 175.1030 136 G 4.3912 8.5237 107.8739 44.9671 0.0000 173.5511 137 G 4.7018 8.3305 107.7286 45.9680 0.0000 171.2832 138 T 5.3536 7.7866 110.5413 60.1930 73.3312 172.7177 139 A 5.3866 8.9714 122.9526 50.3592 21.9442 175.4584 140 Q 5.0655 9.5270 120.4725 54.0916 33.7645 174.7782 141 V 4.5567 8.4238 121.0265 61.3446 34.6942 175.0904 142 D 4.0948 9.5684 128.9146 55.4516 39.2349 174.3237 143 G 3.9360 8.2274 104.1826 45.5704 0.0000 173.5626 144 K 4.4991 7.5284 119.6113 54.2268 34.1274 175.8086 145 V 4.1861 8.2593 122.5438 63.0164 31.7830 175.9654 146 V 4.4090 8.5442 120.3175 61.8195 33.3946 175.4970 147 A 5.0301 7.5276 119.9371 51.0813 22.4887 174.9393 148 E 5.1558 8.3832 118.7816 54.8205 33.7390 174.9738 149 A 4.7719 8.6878 122.0617 51.0779 23.5288 174.8232 150 E 5.1998 8.8215 121.3736 54.3616 33.0161 174.6760 151 L 5.2009 9.1607 125.6913 54.5353 44.7868 174.2624 152 K 5.1462 9.1693 120.8329 54.7976 35.1944 174.8276 153 A 5.2560 9.2466 128.5143 50.2526 23.1331 173.9882 154 M 5.3309 9.3301 119.0698 53.8656 35.2623 174.5929 155 I 4.8417 8.5104 126.9129 60.6467 38.6094 175.2478 156 A 4.8800 9.1377 127.6350 50.0037 23.0079 174.8698 157 E 4.3982 8.9098 122.5387 56.0306 30.4530 176.7843 158 R 3.9920 9.2219 129.7508 56.8579 30.8778 177.4154 *159 E 4.1371 8.7341 118.4410 56.2074 30.4781 173.0815 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 8 L 8.18 4.36 0.00 1.72 1.75 1.21 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.64 4.06 0.00 1.52 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.71 0.00 0.00 0.00 0.00 0.00 2.20 2.04 0.00 10 S 8.35 4.72 0.00 3.83 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.59 4.82 0.00 1.89 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.48 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 12 F 8.70 4.86 0.00 2.79 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 13 F 9.38 4.80 0.00 3.22 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 14 I 8.72 3.62 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.26 0.97 0.00 0.00 15 E 8.18 4.01 0.00 1.87 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 2.30 2.47 0.00 16 H 8.46 4.84 0.00 3.71 3.81 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.98 4.05 2.07 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 1.41 0.76 0.94 0.00 0.00 18 L 8.06 4.03 0.00 1.84 1.75 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.99 4.15 0.00 2.27 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 20 I 7.18 3.45 1.64 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.30 0.02 0.00 0.00 21 L 7.64 4.17 0.00 1.75 1.64 0.98 0.95 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 22 P 0.00 4.33 0.00 2.02 2.22 0.00 3.74 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 23 H 7.99 4.21 0.00 3.09 3.43 0.00 5.85 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.05 4.72 0.00 1.78 1.83 0.00 3.32 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.54 0.00 25 Y 8.60 4.29 0.00 2.96 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 26 P 0.00 3.95 0.00 1.63 0.70 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 27 M 8.75 4.56 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 28 L 7.92 4.56 0.00 1.61 1.65 0.98 1.01 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 29 L 9.08 4.83 0.00 1.67 1.84 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.63 4.50 2.04 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 0.75 0.00 0.00 0.87 0.00 0.00 31 D 8.69 4.69 0.00 2.39 2.55 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 0.00 32 R 7.03 4.41 0.00 1.35 0.66 0.00 3.19 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.21 0.00 33 I 8.47 4.56 1.96 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.04 0.87 0.00 0.00 34 T 8.83 4.25 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 1.32 0.00 0.00 35 E 7.81 5.06 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 36 L 8.65 4.96 0.00 1.80 1.76 1.25 0.99 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 37 Q 9.43 4.70 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 38 A 8.89 4.13 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 9.48 4.56 0.00 2.92 3.01 0.00 0.00 6.82 7.70 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 40 Q 8.04 4.76 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 41 K 7.70 5.08 0.00 1.99 1.92 0.00 1.54 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.48 7.81 42 I 8.75 5.04 1.93 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 1.12 1.43 1.01 0.00 0.00 43 V 8.99 4.97 2.05 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 0.81 0.00 0.00 0.94 0.00 0.00 44 A 8.95 5.29 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 45 Y 8.36 4.87 0.00 3.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.75 4.89 0.00 2.05 1.55 0.00 1.93 0.00 0.00 1.47 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.31 1.48 7.81 47 N 9.65 4.92 0.00 2.68 2.78 0.00 0.00 6.91 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 48 I 8.58 4.63 1.92 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.04 1.05 0.00 0.00 49 T 9.55 4.96 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 50 F 8.98 3.82 0.00 2.86 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 51 N 7.54 4.75 0.00 2.89 2.87 0.00 0.00 6.99 7.53 0.00 0.00 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 7.98 4.80 0.00 2.16 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 53 D 8.90 4.33 0.00 2.81 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 54 V 7.70 3.36 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 0.61 0.00 0.00 0.53 0.00 0.00 55 F 7.63 4.46 0.00 3.04 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 56 N 8.15 4.66 0.00 2.83 2.89 0.00 0.00 6.69 7.20 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 57 G 7.74 4.15 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 0.00 58 H 7.80 3.80 0.00 2.82 2.76 0.00 5.53 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 9.09 5.22 0.00 3.13 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.48 0.00 2.12 2.09 0.00 3.97 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.37 0.00 61 N 9.94 4.54 0.00 2.95 3.03 0.00 0.00 6.83 7.61 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 62 K 8.19 4.62 0.00 1.79 1.78 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.44 7.81 63 P 0.00 5.03 0.00 1.63 2.11 0.00 3.83 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 64 I 8.82 4.88 2.05 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.27 1.08 0.00 0.00 65 F 9.60 4.20 0.00 3.21 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 66 P 0.00 3.81 0.00 1.62 1.45 0.00 2.39 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.23 0.00 67 G 8.56 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 0.00 0.00 0.00 68 V 7.49 3.77 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 0.82 0.00 0.00 0.76 0.00 0.00 69 L 7.55 4.07 0.00 1.13 1.44 0.43 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.70 4.20 2.44 0.00 0.00 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 1.88 1.46 1.23 0.00 0.00 71 V 7.97 3.70 2.37 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 1.14 0.00 0.00 1.11 0.00 0.00 72 E 8.47 4.27 0.00 2.29 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 0.00 2.34 2.39 0.00 73 G 8.10 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 M 7.70 3.62 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.74 0.00 75 A 8.04 3.84 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 76 Q 8.04 3.86 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 1.85 2.27 0.00 77 S 7.83 4.14 0.00 3.94 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 78 G 8.31 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.37 3.55 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 0.00 0.00 0.00 0.00 80 F 8.35 3.86 0.00 3.02 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 81 L 7.97 3.94 0.00 1.87 1.78 1.02 1.23 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 82 A 7.91 2.00 0.26 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 83 F 7.93 3.78 0.00 3.07 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.62 4.35 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 0.75 0.00 0.00 85 S 7.45 4.17 0.00 3.89 4.31 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 86 L 7.05 3.81 0.00 0.97 0.13 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 87 W 7.52 4.46 0.00 2.75 2.84 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 0.00 0.00 0.00 0.00 88 G 7.64 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 0.00 0.00 0.00 0.00 89 F 8.70 4.28 0.00 3.13 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 90 D 8.04 4.63 0.00 2.76 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 91 P 0.00 4.32 0.00 2.06 1.89 0.00 3.78 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.30 0.00 92 E 8.07 3.88 0.00 2.04 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 2.27 2.31 0.00 93 I 7.70 3.74 1.81 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.13 -0.21 0.00 0.00 94 A 7.82 3.64 0.55 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 0.00 0.00 0.00 95 K 7.89 3.86 0.00 1.77 1.84 0.00 1.49 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.29 7.81 96 T 7.51 4.45 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 1.14 0.00 0.00 97 K 7.76 5.13 0.00 1.60 1.79 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.68 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.56 7.81 98 I 8.95 4.56 1.51 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.89 0.77 0.00 0.00 99 V 7.79 4.78 1.99 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 0.81 0.00 0.00 0.89 0.00 0.00 100 Y 9.11 4.83 0.00 2.99 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 0.00 101 F 9.03 4.47 0.00 3.17 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 0.00 102 M 9.41 4.81 0.00 1.97 2.33 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 103 T 7.82 4.88 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 1.26 0.00 0.00 104 I 8.17 5.24 1.82 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.52 0.91 0.00 0.00 105 D 9.55 4.69 0.00 2.59 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 0.00 106 K 8.30 3.79 0.00 1.82 1.80 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.44 7.81 107 V 7.32 4.91 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 0.77 0.00 0.00 0.61 0.00 0.00 108 K 7.95 4.43 0.00 1.70 1.50 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.46 7.81 109 F 8.89 5.13 0.00 3.01 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 0.00 110 R 9.01 4.58 0.00 1.87 2.00 0.00 3.25 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 111 I 7.66 4.67 1.94 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 1.51 0.66 0.96 0.00 0.00 112 P 0.00 4.61 0.00 2.17 2.13 0.00 3.80 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 2.05 2.02 0.00 113 V 8.54 4.71 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 1.19 0.00 0.00 1.07 0.00 0.00 114 T 9.09 5.17 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 115 P 0.00 4.42 0.00 1.97 2.09 0.00 3.52 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.11 0.00 116 G 9.49 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 0.00 117 D 7.92 4.63 0.00 2.77 2.55 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 0.00 118 R 8.30 4.51 0.00 1.67 1.71 0.00 2.87 0.00 0.00 2.84 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.21 0.00 119 L 8.47 4.17 0.00 1.63 1.40 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.16 4.68 0.00 1.96 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 2.33 2.41 0.00 121 Y 9.18 5.22 0.00 2.96 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 H 9.78 5.11 0.00 3.15 3.25 0.00 5.57 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.89 5.35 0.00 1.59 1.57 0.97 0.67 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 0.00 124 E 9.23 5.15 0.00 1.89 1.84 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 0.00 2.26 2.27 0.00 125 V 9.20 4.16 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 0.82 0.00 0.00 1.26 0.00 0.00 126 L 8.93 4.36 0.00 1.67 1.72 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 127 K 7.72 4.35 0.00 1.73 1.54 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.78 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.18 1.21 7.81 128 H 8.31 4.92 0.00 1.40 2.30 0.00 5.77 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.74 4.04 0.00 1.56 1.53 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.24 1.26 7.81 130 G 8.06 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 0.00 131 M 8.70 4.37 0.00 2.45 2.22 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.59 0.00 132 I 7.70 4.54 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.75 0.94 0.00 0.00 133 W 9.25 4.84 0.00 3.23 3.17 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 0.00 134 Q 9.53 5.00 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 135 V 8.77 5.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.98 0.00 0.00 136 G 8.52 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 0.00 0.00 0.00 0.00 137 G 8.33 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 T 7.79 5.35 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 1.22 0.00 0.00 139 A 8.97 5.39 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 0.00 140 Q 9.53 5.07 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 141 V 8.42 4.56 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 0.92 0.00 0.00 0.92 0.00 0.00 142 D 9.57 4.09 0.00 2.79 2.66 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 0.00 143 G 8.23 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 0.00 0.00 0.00 144 K 7.53 4.50 0.00 1.98 1.71 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.34 7.81 145 V 8.26 4.19 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 0.86 0.00 0.00 0.92 0.00 0.00 146 V 8.54 4.41 2.37 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 0.77 0.00 0.00 1.07 0.00 0.00 147 A 7.53 5.03 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 0.00 148 E 8.38 5.16 0.00 1.83 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 2.19 2.19 0.00 149 A 8.69 4.77 1.19 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 0.00 0.00 150 E 8.82 5.20 0.00 2.07 1.99 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 2.23 2.25 0.00 151 L 9.16 5.20 0.00 2.19 1.92 0.82 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 152 K 9.17 5.15 0.00 1.90 1.74 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.54 7.81 153 A 9.25 5.26 1.01 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 0.00 154 M 9.33 5.33 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 155 I 8.51 4.84 2.06 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 1.24 0.72 1.24 0.00 0.00 156 A 9.14 4.88 1.43 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 0.00 0.00 0.00 157 E 8.91 4.40 0.00 2.01 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 2.29 2.40 0.00 158 R 9.22 3.99 0.00 1.68 1.85 0.00 3.17 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 1.62 1.74 0.00 *159 E 8.73 4.14 0.00 1.75 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 2.18 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.