NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.7911 8.4449 120.4009 56.3096 31.9238 173.6698 1 M 4.4451 8.0220 119.2777 54.9072 33.4559 174.4365 2 K 5.0288 9.3276 126.5499 53.3080 36.1062 172.4283 3 L 4.9748 8.9242 128.4371 52.6591 43.6278 174.8883 4 Y 4.6843 9.2852 125.9771 57.3755 38.7996 174.7921 5 I 4.4405 8.7972 118.1428 59.0085 41.7684 174.1694 6 M 4.9162 8.1835 121.5398 52.9043 35.2319 172.7869 7 P 4.6462 0.0000 0.0000 64.4822 31.8070 176.8704 8 G 3.9373 9.6159 111.6181 45.4815 0.0000 173.1986 9 A 4.4536 7.8281 123.5869 51.1126 19.5938 178.0124 10 C 4.1734 8.9868 113.9753 61.7779 29.0477 175.9839 11 S 4.4338 8.0449 117.0324 60.0185 62.3724 175.9081 12 L 4.1004 8.1854 124.5699 57.8042 41.7401 178.4957 13 A 3.8310 7.7710 121.0893 55.2464 17.8776 179.3949 14 D 4.1669 7.7727 116.8819 57.3686 40.9955 178.2849 15 H 3.8979 7.8026 118.6132 59.2237 29.9021 177.2317 16 I 3.2408 7.7075 121.8675 64.2291 36.8099 178.1792 17 L 3.7103 7.3182 120.8529 58.0437 41.6550 178.8333 18 L 3.7713 7.6347 118.2049 57.8027 41.5340 179.5671 19 R 4.2632 7.6587 117.4051 59.1836 29.8515 179.1272 20 W 4.3996 7.9444 117.8657 59.7548 29.0809 178.4475 21 S 4.3624 8.3839 113.6128 59.2934 62.6235 175.5672 22 G 3.9894 7.7969 109.6078 45.5728 0.0000 173.8786 23 S 4.3982 7.6132 115.4494 58.2269 63.4221 174.0938 24 S 4.5543 8.5842 120.0355 58.1970 63.4477 173.6121 25 F 5.2096 8.0099 118.3726 56.0879 40.6355 172.8815 26 D 4.9903 9.3768 119.8317 52.6023 43.9259 175.1951 27 L 4.9910 8.5369 123.4873 53.8433 44.2200 176.7127 28 Q 4.4676 8.6042 123.0872 53.7436 31.1961 173.6368 29 F 4.7190 9.0376 124.3602 56.0792 39.7515 175.4216 30 L 4.9082 8.8794 123.2085 53.0703 45.4902 175.2726 31 D 4.9659 9.6197 123.5060 53.1306 43.6996 177.9505 *32 H 4.4125 8.7351 121.7083 59.6014 27.9527 176.4162 33 Q 4.4927 7.8646 120.8183 60.5261 28.0886 183.5523 34 S 4.4115 7.9512 115.9081 61.2300 62.7847 176.2421 35 M 4.1129 7.7944 121.9349 57.8081 31.7953 177.2439 36 K 4.2795 7.6661 115.5603 56.6374 32.9517 177.5621 37 A 4.2840 7.4853 121.4865 51.1690 20.2564 176.9247 38 P 4.3348 0.0000 0.0000 65.8980 30.9537 179.8790 39 E 3.9829 8.1467 117.1579 61.4024 29.7675 182.5933 40 Y 4.3684 7.9681 120.3007 60.0354 38.5757 177.2388 41 L 4.2804 7.9935 119.5045 57.1385 41.3812 179.1412 42 A 4.0236 7.4712 120.3219 54.4357 18.3376 179.3732 43 L 4.1923 6.6914 113.6750 56.0051 42.5140 177.0106 44 N 4.5229 7.4460 121.7577 50.6721 39.7475 172.8910 45 P 4.4423 0.0000 0.0000 64.5932 31.6436 178.4821 46 S 4.1025 7.8904 113.5434 59.2102 62.9790 174.1640 47 G 4.0101 7.7713 107.9786 46.3026 0.0000 173.2017 48 A 4.7790 7.8096 118.6054 50.2273 22.6563 176.5721 49 V 4.3918 8.1014 113.2177 59.2260 33.5205 174.3851 50 P 4.9737 0.0000 0.0000 61.9674 32.9874 175.1693 51 A 4.7754 8.4004 120.7294 50.3294 22.9152 174.6093 52 L 5.0448 9.1060 124.8973 53.3052 44.7292 174.7948 53 Q 4.7970 9.4323 129.0781 54.9093 30.7457 174.3803 54 V 4.4314 8.9595 127.8018 60.6780 33.1809 177.0538 55 G 4.1168 8.6612 121.0804 46.8427 0.0000 174.4959 56 D 4.5779 9.0800 125.1163 55.0693 41.5212 176.2363 57 W 4.4030 8.1214 130.6799 56.7725 31.1694 174.7459 58 V 4.3131 8.0189 125.2888 60.7600 32.7136 174.0407 59 L 4.0021 8.0175 130.0256 53.2927 43.1410 176.4882 60 T 4.6596 8.1831 113.6545 61.1220 70.4448 174.1618 61 Q 4.5820 7.6313 122.2641 54.1477 31.3989 175.3188 62 N 4.3267 8.9090 122.5476 56.8057 38.8013 177.3264 63 A 4.1180 8.1673 120.9002 55.1500 18.4787 179.4314 64 A 4.0345 7.8917 118.7884 55.2952 18.5207 179.7801 65 I 3.6964 8.6056 119.4515 64.5782 37.2121 178.5977 66 L 4.0065 8.2682 120.1429 58.0737 41.3940 179.4943 67 N 4.4591 8.2622 116.1189 56.2376 38.4831 176.9436 68 Y 4.1089 8.4155 121.1843 60.8051 39.0889 178.0138 69 I 3.6002 8.1437 121.0051 64.7305 36.9963 178.4373 70 T 3.8819 7.6572 115.1083 66.9370 68.4062 176.0312 71 D 4.4724 8.0831 119.7152 57.0480 40.8974 178.3421 72 I 3.8935 7.3047 111.6734 61.3678 38.3995 176.3600 73 A 4.1013 7.1749 123.7231 51.1438 18.9310 175.5356 74 P 4.3209 0.0000 0.0000 62.1690 32.3479 177.3509 75 A 3.9625 8.8646 125.3689 55.3735 18.3273 179.6146 76 E 4.0536 8.1124 112.2818 59.1212 29.6574 178.4923 77 R 3.9100 8.1694 118.2390 56.9093 30.2352 176.6331 78 G 3.8597 7.7425 105.6754 46.6758 0.0000 174.2908 79 L 4.5480 8.0186 117.7836 54.8480 42.5999 177.6268 80 S 4.7154 7.8441 114.2614 57.4606 64.5513 174.6093 81 G 3.9348 7.6869 110.5350 46.7264 0.0000 175.4243 82 D 4.4410 8.8790 124.0978 53.3679 39.5635 177.3109 83 G 3.8901 8.1887 108.6185 46.1865 0.0000 174.4870 84 S 4.4954 8.0319 115.7889 57.4116 65.4243 175.1575 85 L 4.0182 8.3010 121.4776 57.7341 41.3376 179.6189 86 K 3.9560 8.0796 118.9665 59.4069 32.2658 178.5385 87 A 4.5980 7.8771 122.1464 54.9386 18.3042 179.9167 88 R 3.9898 8.1979 116.3268 59.1405 30.0589 179.1598 89 A 4.0490 8.1298 120.8883 55.0260 18.0108 179.5845 90 E 4.0232 8.3856 117.2936 59.5249 29.4945 179.6110 91 I 3.9246 7.7672 119.3692 64.6116 37.1593 178.1672 92 N 4.4138 8.4390 117.6361 56.3500 38.3561 177.6603 93 R 3.8020 8.2261 117.5602 59.1503 29.3737 178.9949 94 W 4.2968 7.9470 119.2434 59.0425 28.9852 178.8260 95 I 3.9228 8.2870 120.0350 64.4939 36.6558 178.3161 96 A 3.9992 8.3678 121.8300 54.8417 18.0295 179.4473 97 F 4.1467 8.1394 119.3518 61.7108 38.9599 177.6632 98 S 3.6803 7.7754 114.7831 61.1887 62.3251 176.1832 99 N 4.3530 8.0797 120.4809 55.7010 38.9460 176.2602 100 S 4.5638 8.2554 112.2295 58.2524 64.2964 174.5105 101 D 4.5187 7.4609 120.2137 56.2192 42.6371 178.0942 102 V 3.3683 7.2665 118.7593 65.6898 31.5780 177.0891 103 H 4.5444 8.8849 118.1648 59.4552 29.8491 175.6137 104 P 2.9700 0.0000 0.0000 64.5152 30.7466 177.9240 105 M 3.9965 7.3699 115.6120 57.6629 32.4215 176.8284 106 Y 4.4157 8.0340 115.8420 59.1013 38.2433 177.1041 107 W 4.7360 8.1091 120.9782 60.2659 29.0420 178.1679 108 A 4.1038 8.2032 118.4488 54.7489 18.0077 178.7035 109 L 4.2225 7.7943 115.2868 55.4628 42.1836 177.0815 110 F 4.7126 7.8057 117.8872 57.2312 39.7166 175.8536 111 G 3.9480 8.6361 106.3847 46.0810 0.0000 176.4242 112 G 3.7619 8.5159 109.8068 47.4859 0.0000 175.0822 113 T 4.2591 7.7630 109.2738 61.1728 69.2919 176.2320 114 A 3.9706 7.7225 128.0911 55.6619 18.4981 180.3023 115 Y 4.2711 7.9630 113.0743 59.8490 38.0348 177.7861 116 L 3.8330 6.6454 120.0088 55.8092 41.9639 178.1778 117 Q 3.9642 8.1650 122.0529 57.0214 28.1651 174.3447 118 D 4.3798 7.6273 117.3147 53.5665 42.1842 174.7191 119 P 4.2226 0.0000 0.0000 65.8830 31.4508 178.6725 120 Q 4.0051 8.0632 116.3320 59.1555 28.7117 178.5365 121 M 4.0551 8.4895 119.8315 58.3324 31.9995 178.8081 122 I 3.5914 7.8565 119.7646 64.3639 37.2251 178.3401 123 A 4.1484 8.0395 121.4844 55.2783 18.1225 179.9220 124 R 3.8662 8.1428 116.8589 59.3280 30.1042 179.4452 125 S 4.1180 8.1576 114.1689 61.4994 62.9647 176.6935 126 Q 3.9649 7.9963 121.6509 58.7279 28.4423 178.2352 127 D 4.3345 8.2907 120.1303 57.2829 40.8169 178.2932 128 N 4.2303 8.3781 117.4290 56.6528 38.9582 176.6523 129 A 3.8967 7.9031 122.0812 55.3163 18.4347 179.8751 130 R 3.8994 8.1510 118.9559 60.0266 30.1102 180.0269 131 Q 4.0246 8.2363 120.5900 60.1935 28.1514 180.6785 132 K 4.2019 8.2068 120.7530 59.0564 32.0119 179.6454 133 L 3.6649 7.8253 119.5065 57.5071 41.4654 179.1742 134 R 4.0420 7.9721 118.7614 59.5910 29.7444 178.5448 135 V 3.8551 7.5072 118.6821 65.5691 31.6311 178.0468 136 L 4.1204 7.8122 118.5766 58.0969 41.3352 179.1226 137 Y 4.6533 8.6340 116.8582 60.9347 37.2495 178.2378 138 Q 4.0638 8.5863 119.7361 58.6538 28.8557 178.5722 139 R 3.9308 7.9373 119.5374 59.4822 30.2002 178.4545 140 A 3.9391 8.0824 120.2871 55.1614 18.3368 179.1121 141 D 4.2017 8.5617 116.6220 57.4392 41.1052 178.3157 142 A 4.0227 8.0292 120.3956 55.3788 18.1549 178.8370 143 H 4.3371 8.2198 116.6014 59.3545 30.0514 177.2423 144 L 4.3102 7.9073 121.0119 55.9040 41.2198 179.2908 145 K 4.0281 7.6430 118.2050 58.6304 31.9580 177.2363 146 H 4.8363 7.4052 111.7079 55.4414 29.6024 173.3523 147 H 4.7928 7.7340 118.3785 54.6703 32.5079 175.0511 148 N 4.0804 8.8464 121.2085 54.0639 37.7763 172.5782 149 W 5.2134 7.4652 115.2584 54.3241 33.1919 175.4619 150 L 3.4739 9.4464 120.3956 57.1372 41.3518 177.9243 151 A 4.7766 7.7379 120.4764 51.5158 21.5990 175.5837 152 N 4.2501 9.7590 117.1994 53.6801 36.4137 175.2280 153 G 4.2925 8.5262 103.0663 46.3148 0.0000 173.8724 154 Q 4.4263 7.9951 116.9527 53.0702 32.6880 175.0284 155 R 3.7486 7.0926 118.2820 56.2910 29.8273 175.8640 156 S 4.7196 9.3814 114.7463 56.0822 66.4235 174.8609 157 G 3.7776 8.9161 105.4971 47.6414 0.0000 175.4981 158 A 4.3049 7.9547 122.5415 55.4819 18.4466 179.4674 159 D 4.8357 8.4286 116.7881 57.6338 41.1578 178.7986 160 A 3.9734 8.2570 120.8555 55.2710 18.1130 178.9412 161 Y 4.0830 8.3152 117.9318 60.8065 39.0309 177.5851 162 L 4.2118 8.3196 122.6964 57.8064 42.1250 178.1161 163 Y 4.4086 8.5888 119.2998 60.9830 38.2161 178.4307 164 V 3.0832 7.6747 118.6875 66.0074 31.6139 177.9934 165 T 2.4800 7.2544 109.1686 64.4774 68.5273 176.3651 166 L 3.9268 7.8134 121.4193 57.3076 41.0400 179.6565 167 R 3.9994 7.4718 118.0686 58.9231 29.8921 179.0715 168 W 4.4967 7.5217 117.9878 59.6631 29.0244 178.1714 169 A 4.3657 8.3382 120.8315 55.6356 17.6129 179.9808 170 K 4.0239 7.9472 117.3022 59.7201 32.1078 179.8398 171 K 4.3660 7.6916 122.0098 58.1894 31.9751 182.2293 172 V 4.5054 7.9286 109.4779 60.6638 31.9065 176.0722 173 G 3.8278 8.1752 105.9428 46.3340 0.0000 174.0418 174 V 3.6909 7.8280 119.8556 61.8474 31.9370 175.1311 175 D 4.4186 8.7586 127.0272 54.7299 40.5597 175.1715 176 L 4.6929 8.3281 125.7814 54.2065 42.4596 176.6276 177 S 4.1224 7.8072 113.9141 59.6921 63.2671 174.6313 178 S 3.8954 8.7118 117.0370 59.7144 60.6713 172.6560 179 L 4.5977 7.1158 122.2158 53.5394 38.4390 176.6071 180 D 4.3339 7.8305 122.2956 57.2260 41.4202 178.1268 181 A 4.0077 8.0228 120.9004 54.8834 18.4042 179.3091 182 L 3.9637 8.5350 119.2784 58.1588 42.1560 179.0838 183 S 4.1102 8.3512 113.0662 61.4160 62.3511 176.0414 184 A 4.0047 8.0994 123.4419 54.9640 18.1142 179.2569 185 F 3.8686 8.2775 119.1586 61.5068 39.4991 176.9790 186 F 4.1739 8.7368 120.3502 61.5315 39.2601 176.9617 187 E 3.9671 8.4266 118.1229 59.3377 29.0456 179.2184 188 R 3.8089 7.7264 117.7148 59.5488 30.3650 178.2472 189 M 4.0082 7.6106 118.2820 58.4962 31.7013 178.6774 190 E 3.7278 7.4189 116.7558 58.9455 29.6405 178.6482 191 A 4.2138 7.5203 118.4264 52.1789 19.3586 177.0297 192 D 4.4598 7.6198 119.1548 52.9813 42.1075 175.4342 193 P 4.4239 0.0000 0.0000 65.9369 31.3826 179.0256 194 G 3.7200 8.3338 105.1884 47.4502 0.0000 175.8229 195 V 3.3940 8.2187 120.5550 65.8546 31.4970 178.0754 196 Q 3.9406 8.0717 117.5227 58.9562 28.5507 178.7610 197 A 3.9752 8.1887 121.4665 55.0954 18.4069 179.5366 198 A 3.6802 7.8136 118.9324 55.3653 18.4933 179.9144 199 L 4.0013 8.1332 117.7502 57.7811 41.5059 179.6172 200 Q 3.9328 8.4643 119.6466 59.2953 28.8641 178.2788 201 A 4.1586 8.0439 120.3914 54.8953 18.5433 178.6096 202 E 4.6204 8.3207 114.6754 56.1710 29.9057 176.9790 203 G 3.9107 7.7534 106.9199 46.5057 0.0000 173.3564 204 L 4.6990 8.4103 121.9458 53.5428 43.3720 177.7377 205 I 4.1514 8.1165 119.5022 60.4465 36.2326 172.3659 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 H 8.44 4.79 0.00 3.17 3.48 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.02 4.45 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.78 0.00 2 K 9.33 5.03 0.00 1.39 1.63 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.25 1.21 7.81 3 L 8.92 4.97 0.00 1.64 1.48 0.89 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 9.29 4.68 0.00 3.11 2.76 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 0.00 0.00 0.00 0.00 5 I 8.80 4.44 1.63 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.77 0.75 0.00 0.00 6 M 8.18 4.92 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 7 P 0.00 4.65 0.00 2.17 2.37 0.00 3.85 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 8 G 9.62 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 9 A 7.83 4.45 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 10 C 8.99 4.17 0.00 3.32 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.04 4.43 0.00 3.99 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.19 4.10 0.00 1.80 1.82 0.94 1.19 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 13 A 7.77 3.83 1.05 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 0.00 0.00 14 D 7.77 4.17 0.00 2.76 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 15 H 7.80 3.90 0.00 3.13 3.36 0.00 5.62 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 16 I 7.71 3.24 1.51 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.27 -0.39 0.00 0.00 17 L 7.32 3.71 0.00 1.69 1.64 1.13 0.76 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 18 L 7.63 3.77 0.00 1.15 0.46 0.35 0.78 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 19 R 7.66 4.26 0.00 1.98 2.07 0.00 3.28 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 20 W 7.94 4.40 0.00 3.43 3.06 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 0.00 0.00 0.00 0.00 21 S 8.38 4.36 0.00 4.03 4.12 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 22 G 7.80 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 0.00 0.00 0.00 23 S 7.61 4.40 0.00 3.89 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 24 S 8.58 4.55 0.00 3.93 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 25 F 8.01 5.21 0.00 2.98 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 9.38 4.99 0.00 2.52 2.52 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 27 L 8.54 4.99 0.00 1.55 1.20 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.60 4.47 0.00 1.66 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.98 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 29 F 9.04 4.72 0.00 2.80 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.88 4.91 0.00 1.41 1.37 0.01 0.77 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 31 D 9.62 4.97 0.00 2.63 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 W 8.11 4.74 0.00 3.53 3.21 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 0.00 108 A 8.20 4.10 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.79 4.22 0.00 1.92 1.50 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 110 F 7.81 4.71 0.00 3.05 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 0.00 111 G 8.64 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.52 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.76 4.26 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 1.31 0.00 0.00 114 A 7.72 3.97 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 0.00 115 Y 7.96 4.27 0.00 3.10 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 0.00 116 L 6.65 3.83 0.00 1.49 1.61 0.74 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.17 3.96 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 118 D 7.63 4.38 0.00 2.68 2.52 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 0.00 119 P 0.00 4.22 0.00 2.17 2.07 0.00 3.63 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 120 Q 8.06 4.01 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 121 M 8.49 4.06 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.84 0.00 122 I 7.86 3.59 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.77 0.85 0.00 0.00 123 A 8.04 4.15 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 0.00 124 R 8.14 3.87 0.00 2.03 1.98 0.00 3.12 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 125 S 8.16 4.12 0.00 4.06 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 0.00 126 Q 8.00 3.96 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 127 D 8.29 4.33 0.00 2.82 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 0.00 128 N 8.38 4.23 0.00 2.90 2.97 0.00 0.00 7.13 7.59 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 0.00 129 A 7.90 3.90 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 0.00 130 R 8.15 3.90 0.00 2.05 1.98 0.00 3.12 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 131 Q 8.24 4.02 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 132 K 8.21 4.20 0.00 1.65 1.78 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.56 7.81 133 L 7.83 3.66 0.00 1.59 1.60 0.09 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 134 R 7.97 4.04 0.00 2.09 1.97 0.00 3.28 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 135 V 7.51 3.86 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 1.17 0.00 0.00 0.97 0.00 0.00 136 L 7.81 4.12 0.00 1.57 1.46 0.62 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 8.63 4.65 0.00 3.21 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 0.00 138 Q 8.59 4.06 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 139 R 7.94 3.93 0.00 2.11 2.22 0.00 3.21 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 140 A 8.08 3.94 1.55 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 0.00 141 D 8.56 4.20 0.00 2.90 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 0.00 142 A 8.03 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.22 4.34 0.00 3.38 3.31 0.00 5.78 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 0.00 144 L 7.91 4.31 0.00 1.60 1.56 0.43 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.64 4.03 0.00 1.71 1.50 0.00 1.60 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.39 1.63 7.81 146 H 7.41 4.84 0.00 3.01 3.13 0.00 5.61 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 H 7.73 4.79 0.00 3.04 3.17 0.00 5.81 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 8.85 4.08 0.00 2.74 2.73 0.00 0.00 6.59 7.96 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 0.00 149 W 7.47 5.21 0.00 3.33 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 9.45 3.47 0.00 1.50 0.74 0.94 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 151 A 7.74 4.78 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 0.00 152 N 9.76 4.25 0.00 2.96 2.92 0.00 0.00 7.01 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 0.00 153 G 8.53 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 0.00 154 Q 8.00 4.43 0.00 2.04 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.93 0.00 0.00 0.00 0.00 0.00 2.20 2.39 0.00 155 R 7.09 3.75 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.65 0.00 156 S 9.38 4.72 0.00 4.06 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 0.00 157 G 8.92 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 0.00 158 A 7.95 4.30 1.66 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 0.00 159 D 8.43 4.84 0.00 3.37 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 0.00 160 A 8.26 3.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 Y 8.32 4.08 0.00 3.25 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 8.32 4.21 0.00 2.03 1.93 1.36 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 163 Y 8.59 4.41 0.00 3.29 3.32 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 0.00 164 V 7.67 3.08 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 0.67 0.00 0.00 0.99 0.00 0.00 165 T 7.25 2.48 4.26 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 0.97 0.00 0.00 166 L 7.81 3.93 0.00 2.07 1.67 1.15 0.10 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 0.00 167 R 7.47 4.00 0.00 1.78 1.97 0.00 2.83 0.00 0.00 2.85 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.13 0.00 168 W 7.52 4.50 0.00 3.13 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 0.00 169 A 8.34 4.37 1.45 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 0.00 170 K 7.95 4.02 0.00 1.89 1.86 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.22 7.81 171 K 7.69 4.37 0.00 1.89 1.71 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.34 7.81 172 V 7.93 4.51 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 0.56 0.00 0.00 1.25 0.00 0.00 173 G 8.18 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 V 7.83 3.69 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 0.94 0.00 0.00 1.05 0.00 0.00 175 D 8.76 4.42 0.00 2.67 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 0.00 176 L 8.33 4.69 0.00 1.61 1.50 0.66 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 177 S 7.81 4.12 0.00 3.95 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 0.00 178 S 8.71 3.90 0.00 4.07 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 0.00 179 L 7.12 4.60 0.00 1.82 1.72 1.05 1.07 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 0.00 180 D 7.83 4.33 0.00 2.67 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 0.00 181 A 8.02 4.01 1.30 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 0.00 0.00 182 L 8.53 3.96 0.00 1.88 1.86 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 183 S 8.35 4.11 0.00 4.03 4.06 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 0.00 0.00 0.00 0.00 184 A 8.10 4.00 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 0.00 185 F 8.28 3.87 0.00 3.06 3.27 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 0.00 186 F 8.74 4.17 0.00 3.41 3.28 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 0.00 0.00 0.00 0.00 187 E 8.43 3.97 0.00 2.26 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 0.00 2.43 2.63 0.00 188 R 7.73 3.81 0.00 1.80 1.66 0.00 2.27 0.00 0.00 2.78 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 189 M 7.61 4.01 0.00 0.93 1.57 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 1.97 1.97 0.00 190 E 7.42 3.73 0.00 1.95 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 1.88 1.99 0.00 191 A 7.52 4.21 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 0.00 192 D 7.62 4.46 0.00 2.74 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 0.00 193 P 0.00 4.42 0.00 2.32 2.30 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 194 G 8.33 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 0.00 0.00 0.00 195 V 8.22 3.39 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 0.68 0.00 0.00 0.79 0.00 0.00 196 Q 8.07 3.94 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 197 A 8.19 3.98 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 0.00 198 A 7.81 3.68 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 L 8.13 4.00 0.00 1.84 1.93 0.97 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 200 Q 8.46 3.93 0.00 2.37 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 201 A 8.04 4.16 1.54 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 0.00 0.00 202 E 8.32 4.62 0.00 2.06 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 0.00 2.37 2.66 0.00 203 G 7.75 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 0.00 204 L 8.41 4.70 0.00 1.74 1.66 1.05 0.78 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 0.00 205 I 8.12 4.15 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 0.46 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.