NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 R 4.2895 8.2549 119.7045 55.7497 32.2279 175.6656 20 L 4.3400 7.4906 115.5036 52.1063 43.5340 174.7418 21 A 4.1474 9.1114 124.8123 52.3180 19.8003 178.7844 22 K 3.9800 8.7328 120.0025 58.8845 32.2492 177.8647 23 D 4.8625 7.7818 115.8852 52.6274 39.8633 175.4736 24 D 4.3620 7.8488 120.3257 55.4445 41.6031 177.4973 25 T 3.9379 8.6796 123.1317 66.8781 68.3926 176.7265 26 R 3.9924 8.6821 120.4671 58.8426 29.8166 179.2242 27 V 3.6062 7.5266 117.6146 65.9140 31.9775 177.9305 28 V 3.7028 7.7842 117.2920 65.9905 31.4291 177.5344 29 A 4.0925 8.3010 122.1902 54.8500 17.9932 178.8897 30 Y 4.4581 8.1251 117.0474 60.4218 39.0916 177.6998 31 G 3.8799 7.8774 104.0509 44.6171 0.0000 175.3426 32 T 3.9814 7.8015 119.8631 66.4810 68.5056 175.4988 33 T 4.5966 7.5845 108.4773 61.9192 68.9306 176.0463 34 D 4.3364 8.0640 123.6510 57.6531 40.8336 178.1186 35 E 4.0044 8.2059 119.3369 59.1926 29.7105 178.3049 36 L 4.0740 8.0688 119.9430 58.2631 42.1565 178.0608 37 N 4.3539 8.5311 117.3824 56.9444 38.8545 176.9126 38 S 4.1754 8.2469 115.4580 61.5540 63.0427 176.5291 39 F 4.0215 8.2045 121.4551 59.8966 38.5655 177.7831 40 V 3.6359 8.2687 118.5500 65.8715 31.1114 178.0634 41 G 3.7301 7.8844 104.2101 48.1931 0.0000 175.3473 42 S 4.2286 8.0703 117.5640 61.1415 62.8292 176.6723 43 A 4.1638 8.0477 124.7823 54.6845 18.0856 179.6609 44 I 3.5303 7.8145 118.5568 64.6212 36.9328 178.4616 45 T 4.0792 7.4876 108.8096 63.8183 68.7228 175.7014 46 Q 4.3116 7.8616 119.7036 55.5072 29.1839 175.1943 47 L 4.6193 7.1631 120.9039 52.5266 43.5262 176.3249 48 D 4.5603 8.9103 123.4585 53.9622 41.2476 176.4910 49 E 4.0403 8.9710 126.9056 59.5319 29.5159 178.4480 50 N 4.4446 8.4684 114.6227 55.2673 38.8162 176.1583 51 T 4.2560 7.1799 114.8396 63.2200 70.3509 174.5641 52 F 5.0681 8.2050 119.4924 56.4617 40.5151 177.1701 53 A 4.1497 8.4660 125.1755 55.2301 18.1327 179.4267 54 D 4.4367 8.1911 117.1243 57.0091 39.4890 178.8551 55 I 3.9035 7.9208 121.6737 63.6030 37.1860 178.3737 56 R 3.9548 8.5890 119.5006 59.3984 29.9764 179.2573 57 G 3.8956 8.3592 105.2893 48.1176 0.0000 175.5694 58 E 4.2008 8.5206 120.9204 59.0739 29.4737 179.4386 59 L 4.1139 8.4244 119.5374 57.8198 41.7379 179.4500 60 F 4.3687 8.2866 117.8439 60.4293 38.7505 177.5578 61 K 3.9308 8.2934 119.2452 59.7252 31.9848 178.8544 62 I 4.0070 8.2189 121.7313 64.0064 36.9722 178.4301 63 Q 4.3406 8.3392 120.3355 58.6795 28.5546 178.3495 64 H 4.1578 8.3453 119.1671 59.3755 29.8727 177.2064 65 E 3.9778 8.5846 120.6122 59.4102 29.2352 179.3713 66 L 4.1311 8.5903 119.5512 57.6189 41.4916 179.2473 67 F 3.9605 8.3218 120.6796 61.4435 39.4562 176.8753 68 D 4.4239 8.3040 118.4262 57.6193 40.5256 178.4842 69 C 4.1334 8.4197 117.7087 62.7491 28.1532 176.2997 70 G 3.5639 7.9706 107.3068 47.7782 0.0000 175.6672 71 G 3.8950 7.3580 107.0347 47.7600 0.0000 175.0880 72 D 4.7238 7.8279 119.9250 57.1287 40.9296 178.5167 73 L 4.1548 8.0889 118.4128 57.3407 42.6245 179.5686 74 A 4.3068 7.9155 121.5184 51.8181 15.8572 177.7996 *76 L 4.7992 7.5727 123.3690 55.4736 42.8836 178.6870 77 K 4.3829 7.9051 116.1992 55.8817 32.6269 176.4271 78 V 3.7286 7.5446 120.1678 62.8237 31.8382 175.9190 79 K 4.1583 8.5268 126.2369 58.1966 32.5639 176.9017 80 E 4.3087 7.8064 117.6162 55.0273 30.5256 175.7710 81 D 4.3450 8.3792 119.4606 54.9349 41.2215 176.4090 82 R 4.2976 7.9966 122.0722 53.9103 31.8099 175.9005 83 P 4.5341 0.0000 0.0000 61.2264 30.0410 175.3777 84 Y 4.6603 7.4032 119.4865 59.3299 38.8510 177.0863 85 K 4.1850 9.4220 122.9269 57.8345 32.9831 177.2509 86 A 4.1574 8.5079 122.9423 51.3646 18.8265 176.7450 87 K 4.7036 8.1348 121.6272 53.8811 36.1101 176.8585 88 Q 3.9435 8.8253 121.6133 59.7940 28.5752 178.6865 89 E 3.9802 8.3904 119.7309 59.6600 29.4599 178.9146 90 I 3.8015 7.8507 112.8085 63.7032 37.6072 178.5963 91 V 3.7287 7.7958 119.7218 66.1029 31.5659 177.3228 92 D 4.4280 8.2278 118.6871 57.4762 40.6889 178.7494 93 F 3.9823 8.5996 121.1198 61.3496 39.4083 177.1116 94 L 3.9928 7.9282 118.0792 57.9375 41.4035 179.4229 95 E 4.0212 8.2918 118.4240 59.5192 29.3624 179.5183 96 Q 3.9087 8.0169 118.0991 58.9260 28.6745 178.9539 97 R 3.5099 7.7273 119.0951 58.8986 29.9933 178.9256 98 I 3.7617 8.1979 120.1223 64.6799 37.1832 177.9847 99 D 4.3178 8.0211 119.1602 57.3718 40.6609 178.7266 100 A 3.8602 7.6658 121.0361 55.5583 18.2935 179.3696 101 Y 4.3657 7.8377 115.2131 61.0194 37.7043 178.3271 102 I 3.7581 8.0218 120.6084 64.4046 37.2964 178.2088 103 K 4.1070 7.8645 118.1384 59.3788 31.9260 178.7835 104 E 4.0708 7.9546 118.3944 58.3395 29.9588 177.2984 105 A 4.2405 7.3711 120.0750 50.9083 19.1344 175.3057 106 P 4.4363 0.0000 0.0000 61.9910 32.0644 176.3189 107 E 3.8937 8.4857 121.0884 56.2767 29.9748 176.1965 108 L 4.3803 8.4539 128.3870 54.2162 41.9499 175.3795 109 E 4.4994 8.7343 123.7932 55.9349 31.6439 176.0200 110 R 4.5642 7.5306 116.5938 53.6264 33.2355 175.2722 111 F 4.5274 8.2549 117.7842 57.9625 40.2124 174.3568 112 I 4.9177 8.5867 122.7509 59.8746 38.7797 175.2138 113 L 4.6974 8.9156 127.4652 52.7491 42.9403 175.1295 114 P 3.8027 0.0000 0.0000 62.8874 32.4642 175.7399 115 G 3.7461 9.2796 107.2595 44.6706 0.0000 171.4609 116 G 4.1320 9.1240 112.0647 44.8751 0.0000 177.8979 117 S 4.3628 7.1693 117.7679 57.6327 65.4475 173.9493 118 E 3.8505 8.7017 122.9792 59.3699 29.2462 178.9508 119 A 3.8642 7.9121 119.9774 55.2312 18.4790 179.3217 120 A 3.8204 8.0832 119.0431 55.1057 18.3502 179.6676 121 A 3.9413 8.2898 119.9163 55.3793 18.3438 180.0640 122 S 4.0678 8.0909 112.5589 61.2359 63.0247 176.5396 123 L 3.9049 7.5396 122.4822 57.4452 41.4649 178.8077 124 H 4.1060 8.3267 116.5779 58.6028 28.5438 177.8564 125 V 3.3867 7.8592 120.1516 66.1932 31.2545 177.6888 126 C 3.6382 7.5793 116.2228 62.6265 27.7531 176.0544 127 R 4.1122 7.7231 120.3023 59.9119 29.7000 178.7406 128 T 3.9057 7.7988 109.4359 64.7899 68.7533 176.7069 129 I 3.5658 7.8187 122.5357 63.8729 37.0352 178.2129 130 A 4.0147 8.3545 122.1594 55.2713 18.1845 179.9156 131 R 3.8954 7.9671 116.5958 59.2021 30.1020 179.2376 132 R 3.5533 7.8735 118.3562 59.2148 30.0557 178.4359 133 A 3.6731 7.8722 120.6380 54.9516 18.4289 179.0213 134 E 3.8872 8.5187 118.2207 59.6980 29.6849 179.3559 135 R 4.0433 8.0810 117.9925 59.4071 30.0705 178.5102 136 Y 4.4076 7.9608 116.5730 61.3489 37.6661 179.1178 137 V 3.6712 7.7359 117.9229 65.8215 31.9214 177.8545 138 V 4.0374 7.9144 119.4605 65.6959 31.5245 178.3249 139 R 4.0294 8.2199 117.5639 59.1104 29.8003 178.9577 140 L 4.1406 8.0017 118.6341 57.3188 41.2522 179.1619 141 Q 4.3763 7.8852 119.0183 57.9893 28.3363 178.3304 142 Q 4.1285 7.9241 117.6982 57.5738 28.9082 176.3955 143 E 4.4536 8.1697 118.0372 55.5396 30.9502 175.5444 144 G 3.8600 7.1677 105.9608 45.7025 0.0000 170.6417 145 E 4.3569 8.0090 120.2958 54.8576 30.2779 175.1172 146 I 4.5327 8.1095 127.0390 59.0436 39.1600 174.6583 147 N 3.8796 8.5874 123.1467 53.4566 38.9168 173.5290 148 P 4.2971 0.0000 0.0000 65.6410 31.2627 178.6103 149 I 3.7292 7.9555 118.9317 64.1833 36.8565 178.4949 150 V 3.5867 7.7335 119.1678 65.8358 31.3185 177.8882 151 L 3.9538 7.8197 119.5194 58.2140 42.0788 178.8826 152 K 3.9763 8.1342 118.4532 59.4669 31.7990 178.7755 153 Y 4.0943 8.3954 120.1057 60.8210 38.9729 177.9722 154 L 3.8903 8.2185 120.0645 57.6190 40.2527 178.9162 155 N 4.5964 8.1926 118.3480 56.4075 38.8667 177.2158 156 R 4.1360 8.0852 118.9902 58.8049 30.0544 178.9135 157 L 3.5974 7.7495 119.5746 57.5877 41.4891 179.5740 158 S 4.3894 7.7201 112.9941 61.6953 62.8204 176.4058 159 D 4.3864 7.6401 120.3638 57.0316 40.4356 178.0401 160 Y 3.9457 8.0795 120.2207 60.8643 38.7709 178.2855 161 F 4.3795 8.4473 119.0832 60.3624 39.0586 177.5303 162 F 3.9964 8.4241 120.2515 61.2059 39.2761 177.0974 163 A 3.9677 8.2666 120.4656 55.3676 18.2398 180.1124 164 V 3.0291 7.7089 110.9993 63.9719 31.4640 178.5970 165 A 3.8074 7.8844 120.8155 55.2564 18.1712 179.9549 166 R 4.0129 7.4449 117.4131 58.7845 30.0830 179.5042 167 V 3.5979 7.5118 118.1254 65.6844 31.4411 178.2919 168 V 3.7118 8.1085 118.4963 66.1201 31.3067 177.7077 169 N 4.3075 8.1016 116.1629 56.3045 38.3821 177.2234 170 S 4.0710 8.1223 114.3535 61.7142 62.3213 176.6168 171 R 3.9895 8.3440 119.4230 58.8007 29.8523 178.1888 172 L 4.2777 7.9032 116.3077 54.0896 42.3469 176.4127 173 Q 3.5454 7.9933 117.0733 57.3740 26.7338 173.8995 174 V 4.5318 7.7179 108.9671 58.6534 35.0557 174.7163 175 P 4.4336 0.0000 0.0000 62.2702 31.6668 176.4096 176 D 4.4681 8.3969 120.8786 54.3622 41.7192 175.3695 177 V 4.3306 8.1573 121.4011 62.2367 32.7105 174.5608 178 E 5.1778 8.6497 126.9190 54.4710 32.4659 175.1685 179 Y 4.2764 9.1341 127.3920 58.4757 39.2930 176.1692 180 E 4.2037 8.1638 122.1008 56.4739 30.6135 171.4559 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 19 R 8.25 4.29 0.00 1.80 2.04 0.00 3.31 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 20 L 7.49 4.34 0.00 1.69 1.56 0.88 0.45 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 21 A 9.11 4.15 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 22 K 8.73 3.98 0.00 2.01 1.90 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.01 7.81 23 D 7.78 4.86 0.00 2.74 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 24 D 7.85 4.36 0.00 2.81 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.68 3.94 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 26 R 8.68 3.99 0.00 1.93 1.96 0.00 3.10 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 27 V 7.53 3.61 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 0.82 0.00 0.00 0.91 0.00 0.00 28 V 7.78 3.70 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 0.91 0.00 0.00 0.96 0.00 0.00 29 A 8.30 4.09 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 8.13 4.46 0.00 3.02 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.88 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 32 T 7.80 3.98 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 1.43 0.00 0.00 33 T 7.58 4.60 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 1.28 0.00 0.00 34 D 8.06 4.34 0.00 2.80 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 35 E 8.21 4.00 0.00 2.16 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 2.73 2.62 0.00 36 L 8.07 4.07 0.00 1.86 1.91 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.53 4.35 0.00 3.05 2.96 0.00 0.00 7.00 8.15 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 38 S 8.25 4.18 0.00 3.90 4.03 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 0.00 0.00 0.00 39 F 8.20 4.02 0.00 3.18 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 40 V 8.27 3.64 2.32 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 1.08 0.00 0.00 1.09 0.00 0.00 41 G 7.88 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.07 4.23 0.00 4.02 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 43 A 8.05 4.16 1.28 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 0.00 0.00 44 I 7.81 3.53 1.83 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.58 0.49 0.00 0.00 45 T 7.49 4.08 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 1.29 0.00 0.00 46 Q 7.86 4.31 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.65 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 47 L 7.16 4.62 0.00 1.71 1.55 0.69 0.07 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 48 D 8.91 4.56 0.00 2.85 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 49 E 8.97 4.04 0.00 2.16 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 2.43 2.49 0.00 50 N 8.47 4.44 0.00 2.72 2.84 0.00 0.00 6.76 7.54 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 51 T 7.18 4.26 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 52 F 8.20 5.07 0.00 3.21 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.47 4.15 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 54 D 8.19 4.44 0.00 3.18 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 55 I 7.92 3.90 1.96 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.75 0.84 0.00 0.00 56 R 8.59 3.95 0.00 2.03 2.10 0.00 3.47 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 57 G 8.36 3.90 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 0.00 0.00 0.00 58 E 8.52 4.20 0.00 2.50 2.25 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 2.81 2.76 0.00 59 L 8.42 4.11 0.00 1.66 1.67 0.89 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.29 4.37 0.00 3.27 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 61 K 8.29 3.93 0.00 1.95 1.99 0.00 1.31 0.00 0.00 1.37 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.33 7.81 62 I 8.22 4.01 2.10 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 1.03 0.00 0.00 63 Q 8.34 4.34 0.00 2.44 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 64 H 8.35 4.16 0.00 3.30 3.51 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 65 E 8.58 3.98 0.00 2.24 1.57 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 2.21 2.45 0.00 66 L 8.59 4.13 0.00 1.94 1.83 1.09 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.32 3.96 0.00 3.25 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 68 D 8.30 4.42 0.00 2.94 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 69 C 8.42 4.13 0.00 3.17 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 70 G 7.97 3.56 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 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1.89 1.87 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 2.28 2.36 0.00 81 D 8.38 4.34 0.00 2.60 2.53 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 0.00 0.00 0.00 0.00 82 R 8.00 4.30 0.00 0.67 0.92 0.00 3.04 0.00 0.00 3.02 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.44 0.00 83 P 0.00 4.53 0.00 2.16 2.05 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 84 Y 7.40 4.66 0.00 2.99 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 85 K 9.42 4.18 0.00 1.76 1.89 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.44 7.81 86 A 8.51 4.16 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 87 K 8.13 4.70 0.00 1.76 1.67 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.39 7.81 88 Q 8.83 3.94 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.67 0.00 89 E 8.39 3.98 0.00 2.08 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 2.42 2.44 0.00 90 I 7.85 3.80 2.05 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.36 0.83 0.00 0.00 91 V 7.80 3.73 2.29 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 1.12 0.00 0.00 1.06 0.00 0.00 92 D 8.23 4.43 0.00 2.97 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 93 F 8.60 3.98 0.00 3.26 3.26 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 94 L 7.93 3.99 0.00 1.89 1.69 0.50 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.29 4.02 0.00 2.16 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 2.33 2.57 0.00 96 Q 8.02 3.91 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 97 R 7.73 3.51 0.00 1.88 1.96 0.00 2.87 0.00 0.00 2.60 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.35 0.00 98 I 8.20 3.76 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.95 0.95 0.00 0.00 99 D 8.02 4.32 0.00 2.82 2.67 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 0.00 0.00 0.00 0.00 100 A 7.67 3.86 0.95 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 0.00 101 Y 7.84 4.37 0.00 2.92 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 0.00 102 I 8.02 3.76 2.02 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 1.60 0.66 0.94 0.00 0.00 103 K 7.86 4.11 0.00 2.20 1.87 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.32 7.81 104 E 7.95 4.07 0.00 2.07 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 2.37 2.37 0.00 105 A 7.37 4.24 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 0.00 106 P 0.00 4.44 0.00 2.05 2.00 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 107 E 8.49 3.89 0.00 1.90 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 2.28 2.36 0.00 108 L 8.45 4.38 0.00 1.69 1.62 1.12 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.73 4.50 0.00 2.30 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 2.16 1.85 0.00 110 R 7.53 4.56 0.00 1.82 1.95 0.00 3.21 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 111 F 8.25 4.53 0.00 2.99 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 0.00 112 I 8.59 4.92 2.22 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.89 0.91 0.00 0.00 113 L 8.92 4.70 0.00 1.50 1.61 1.03 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 3.80 0.00 2.09 1.95 0.00 3.74 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 1.94 1.93 0.00 115 G 9.28 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 0.00 116 G 9.12 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 0.00 0.00 0.00 117 S 7.17 4.36 0.00 4.05 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 0.00 118 E 8.70 3.85 0.00 2.04 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 2.36 2.37 0.00 119 A 7.91 3.86 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 0.00 120 A 8.08 3.82 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 0.00 121 A 8.29 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 0.00 122 S 8.09 4.07 0.00 4.05 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.54 3.90 0.00 1.66 1.67 0.72 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 124 H 8.33 4.11 0.00 3.28 3.32 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.86 3.39 2.12 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 0.54 0.00 0.00 0.88 0.00 0.00 126 C 7.58 3.64 0.00 2.04 1.18 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 0.00 127 R 7.72 4.11 0.00 2.02 2.23 0.00 3.26 0.00 0.00 3.52 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 128 T 7.80 3.91 4.16 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 1.23 0.00 0.00 129 I 7.82 3.57 1.70 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.18 0.88 0.00 0.00 130 A 8.35 4.01 1.57 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 0.00 0.00 131 R 7.97 3.90 0.00 1.99 1.94 0.00 3.13 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 132 R 7.87 3.55 0.00 1.68 1.82 0.00 3.09 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.02 0.00 133 A 7.87 3.67 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 0.00 134 E 8.52 3.89 0.00 2.06 2.12 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 2.30 2.36 0.00 135 R 8.08 4.04 0.00 1.95 1.97 0.00 3.17 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 136 Y 7.96 4.41 0.00 3.19 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 0.00 137 V 7.74 3.67 2.25 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 0.82 0.00 0.00 1.04 0.00 0.00 138 V 7.91 4.04 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 1.24 0.00 0.00 0.96 0.00 0.00 139 R 8.22 4.03 0.00 2.11 2.00 0.00 3.21 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 140 L 8.00 4.14 0.00 1.93 1.74 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 7.89 4.38 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 142 Q 7.92 4.13 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 143 E 8.17 4.45 0.00 2.02 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 2.26 2.37 0.00 144 G 7.17 3.86 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 0.00 0.00 0.00 145 E 8.01 4.36 0.00 2.12 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 2.32 2.43 0.00 146 I 8.11 4.53 1.88 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 1.32 1.02 0.90 0.00 0.00 147 N 8.59 3.88 0.00 1.44 2.26 0.00 0.00 7.22 7.71 0.00 0.00 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 P 0.00 4.30 0.00 2.18 2.09 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 149 I 7.96 3.73 1.84 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 1.48 0.96 0.89 0.00 0.00 150 V 7.73 3.59 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 1.10 0.00 0.00 0.80 0.00 0.00 151 L 7.82 3.95 0.00 1.80 1.80 0.94 0.73 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 0.00 152 K 8.13 3.98 0.00 2.03 1.88 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.57 7.81 153 Y 8.40 4.09 0.00 3.09 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 0.00 154 L 8.22 3.89 0.00 1.75 1.71 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.19 4.60 0.00 2.93 3.00 0.00 0.00 6.84 7.16 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 0.00 156 R 8.09 4.14 0.00 1.76 1.91 0.00 3.35 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.82 0.00 157 L 7.75 3.60 0.00 1.64 1.52 0.76 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 158 S 7.72 4.39 0.00 4.17 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 0.00 159 D 7.64 4.39 0.00 2.86 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 0.00 160 Y 8.08 3.95 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 F 8.45 4.38 0.00 3.13 3.12 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 0.00 162 F 8.42 4.00 0.00 3.25 3.22 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 0.00 163 A 8.27 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 0.00 164 V 7.71 3.03 1.63 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 -0.36 0.00 0.00 0.80 0.00 0.00 165 A 7.88 3.81 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 0.00 166 R 7.44 4.01 0.00 1.86 1.85 0.00 2.63 0.00 0.00 2.97 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.03 0.00 167 V 7.51 3.60 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 1.00 0.00 0.00 0.96 0.00 0.00 168 V 8.11 3.71 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 0.73 0.00 0.00 0.49 0.00 0.00 169 N 8.10 4.31 0.00 2.96 3.08 0.00 0.00 6.71 6.89 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 0.00 170 S 8.12 4.07 0.00 3.96 4.03 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 0.00 0.00 0.00 171 R 8.34 3.99 0.00 1.86 1.77 0.00 3.01 0.00 0.00 2.99 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 172 L 7.90 4.28 0.00 1.89 1.76 1.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 173 Q 7.99 3.55 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 174 V 7.72 4.53 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 0.72 0.00 0.00 1.02 0.00 0.00 175 P 0.00 4.43 0.00 2.03 1.97 0.00 3.68 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 2.02 2.10 0.00 176 D 8.40 4.47 0.00 2.69 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 0.00 177 V 8.16 4.33 2.25 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 0.99 0.00 0.00 0.90 0.00 0.00 178 E 8.65 5.18 0.00 1.90 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 2.26 2.29 0.00 179 Y 9.13 4.28 0.00 3.04 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 0.00 180 E 8.16 4.20 0.00 1.98 1.62 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 2.13 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.