NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2978 8.1749 117.3720 63.2327 70.7541 174.3503 4 R 3.7399 8.0542 119.2212 53.9666 30.4494 173.9047 5 P 4.2031 0.0000 0.0000 62.8967 32.7999 175.3741 6 R 4.3967 7.7881 118.6304 54.3515 32.1763 175.7317 7 F 5.0749 8.3752 119.3177 55.5455 41.5970 174.1438 8 L 4.8313 9.6399 127.0515 53.2247 45.2713 174.3779 9 E 5.1805 9.0939 127.2111 54.6575 31.1505 174.3541 10 L 4.9266 9.3982 129.7165 53.2450 45.1316 174.9126 11 R 5.0907 8.6114 124.7780 54.4550 33.3378 174.2399 12 K 4.5725 9.1949 125.4634 54.8439 34.9600 175.2893 13 S 5.0402 8.8103 122.1916 57.5196 63.9562 173.6294 14 E 4.8413 9.3926 125.1453 54.6641 32.4345 174.6041 15 C 5.2818 8.7455 120.2215 55.6303 42.1819 172.8859 16 H 4.7280 9.2489 122.1389 53.8573 30.7082 173.8163 17 F 5.3194 8.4897 121.5061 55.6663 41.6231 174.8456 18 F 4.5779 8.9447 121.5557 56.0058 42.6613 173.9252 19 N 4.2396 8.6920 121.3101 54.2693 36.4611 174.1319 *20 G 3.9700 7.7095 107.9341 45.7413 0.0000 170.6707 21 T 4.5737 7.8848 114.7043 62.9031 70.9421 174.3342 22 E 4.1062 8.6203 122.4735 59.1285 29.7869 177.3261 23 R 4.7268 8.1949 117.7219 54.2299 32.7857 175.0202 24 V 4.8118 8.5348 123.4239 61.0128 34.2536 174.2407 25 R 4.6462 9.1643 128.8225 54.8835 32.1425 173.7773 26 Y 5.3387 9.1808 128.2915 56.0119 41.6160 174.1938 27 L 4.9806 8.2996 125.1277 52.8707 45.7691 174.6827 28 D 5.2070 8.9633 124.1336 52.5192 43.5111 175.0007 29 R 4.9903 8.6490 124.4221 54.5414 34.2005 173.8783 30 Y 4.7131 8.3487 120.9157 55.9969 41.0724 174.7401 31 F 5.3713 9.6154 122.6005 56.0338 43.4319 173.2633 32 H 5.4462 10.2938 123.3535 54.3423 31.9175 173.1552 33 N 3.9952 10.1349 124.1803 55.2974 37.6422 175.0649 34 Q 4.4536 9.0722 128.6137 57.2600 28.8286 175.0811 35 E 4.8108 8.5504 116.1858 53.7713 32.0290 179.0595 36 E 4.1044 9.0309 125.9726 54.8219 30.3585 175.8260 37 F 5.0410 8.6112 119.9940 55.6915 40.5468 174.4949 38 L 4.9556 6.9512 120.4427 54.0820 45.8731 174.2694 39 R 5.0373 8.8177 122.4404 55.7718 34.4050 173.1277 40 F 4.4310 9.2586 130.2704 56.3419 40.8488 173.6562 41 D 5.1619 7.6251 126.7572 52.1709 42.3763 176.7515 42 S 4.5583 9.2776 122.3964 61.5121 62.9504 175.6710 43 D 4.4254 8.3819 119.2225 55.9881 41.0273 177.3139 44 V 3.7916 7.9094 118.7438 64.6896 32.0653 177.1023 45 G 4.0238 7.9872 105.1166 44.6894 0.0000 172.5120 46 E 4.9512 7.1280 117.9387 54.1517 33.9753 174.7243 47 Y 4.4378 9.0624 120.4303 58.4662 38.7059 175.8202 48 R 4.8146 9.3875 123.1713 54.0705 33.6509 175.0002 49 A 4.6261 8.6325 124.8250 52.2202 18.5689 177.6423 50 V 4.3042 8.9077 116.2073 61.7122 33.0219 176.5273 51 T 4.7510 7.6972 109.3697 59.4196 71.6237 174.5515 52 E 4.1615 8.8007 124.0047 58.7541 29.7826 179.6424 53 L 3.8770 8.0963 118.9045 56.5774 41.0398 184.1433 54 G 4.2684 8.6229 105.2449 45.1819 0.0000 175.8553 55 R 3.9231 7.6438 124.4393 60.9943 29.3965 181.1062 56 P 4.3390 0.0000 0.0000 65.6516 31.3011 178.8767 57 V 3.0378 7.3502 115.8605 65.3579 31.3129 177.4890 58 A 3.9721 7.9267 120.8963 55.2569 18.0202 179.0759 59 E 3.9435 7.9550 116.0560 59.6171 30.0245 178.9876 60 S 4.2713 7.9500 114.8406 61.6430 63.1120 176.8293 61 W 4.4372 8.6555 121.8120 59.9191 28.5596 178.2631 62 N 4.7910 9.2398 118.5905 56.3379 38.0588 177.7628 63 S 4.6189 8.0896 119.4153 61.1891 62.8000 179.7706 64 Q 4.7220 7.8582 121.7846 55.5695 29.0698 177.0327 65 K 4.2102 8.5981 133.9903 60.2163 31.7837 176.5063 66 D 4.7114 8.0222 120.7562 58.0575 39.7680 181.5744 67 L 4.0870 7.8018 120.2390 58.3697 42.1608 178.9685 68 L 3.9879 8.1353 121.1548 57.9302 41.2864 177.7886 *69 E 4.3269 7.3057 115.3191 55.5667 31.5655 180.3592 70 Q 4.0305 7.7190 121.1435 59.1623 29.2764 178.4767 71 K 3.4134 8.0992 119.3852 59.6619 31.8852 179.5079 72 R 4.3326 8.0289 116.7879 58.2650 30.2070 178.2671 73 G 3.8761 8.1545 104.9004 45.1659 0.0000 175.8095 74 R 3.8512 7.3967 120.8909 59.3506 29.8785 178.9283 75 V 3.6760 7.8417 111.5793 64.1505 31.3726 177.5236 76 D 4.5716 7.8227 117.1932 56.1064 41.5936 177.5536 77 N 4.9001 8.1631 114.3486 53.3344 37.8488 173.9996 78 Y 4.6974 7.5359 120.7273 59.1734 41.3356 177.6954 79 C 4.3208 8.9090 117.2407 60.3003 40.4307 176.5182 80 R 4.0308 8.6676 120.0076 59.3309 29.6315 178.5425 81 H 4.1103 8.1157 117.7273 59.6641 29.8769 177.1533 82 N 4.3533 8.4009 118.4006 56.0595 38.3778 176.5778 83 Y 3.7750 8.5002 121.7517 60.8574 38.4737 178.8874 84 G 3.6163 8.1107 105.1116 47.7491 0.0000 175.5087 85 V 3.7972 8.0596 120.3506 64.9883 31.8898 177.4424 86 G 3.1351 7.7704 102.9330 43.9108 0.0000 174.6848 87 E 3.3900 7.6319 122.8672 59.3828 29.3608 178.9992 88 S 4.1122 7.8996 112.1994 60.3769 63.0702 175.1245 89 F 4.8107 7.3032 115.1463 57.2596 38.4547 175.1299 90 T 4.3283 7.1039 106.5651 62.9591 71.6535 176.0073 91 V 3.5105 7.4218 124.2711 64.5295 31.9562 177.2009 92 Q 4.4939 7.9926 115.9142 55.1972 28.9915 175.5440 93 R 3.9640 7.7084 120.0640 56.6336 30.3339 176.0527 94 R 4.9918 8.5731 123.4758 54.8297 33.7417 174.5656 95 V 4.5833 9.9729 127.9905 61.6777 34.6080 175.2204 *96 H 5.2341 9.2748 126.6289 53.8455 28.7413 170.2969 97 P 4.8119 0.0000 0.0000 63.2419 32.3250 176.1041 98 Q 4.6260 9.7801 124.6491 54.2831 30.0855 173.0134 99 V 4.8761 8.4614 124.2402 60.4995 33.6844 174.7657 100 T 4.8236 9.1901 124.4430 61.7322 72.1922 172.8994 101 V 5.0732 8.6620 125.5348 61.3285 33.6457 174.1685 102 Y 5.0408 8.3637 124.7951 54.8130 41.6555 172.7092 103 P 4.3735 0.0000 0.0000 62.6271 31.7240 176.5128 104 A 4.3636 9.2837 127.1283 54.2852 18.7546 177.7039 105 K 4.5428 7.6760 111.1558 54.9074 35.8146 176.2566 106 T 4.2159 8.3216 115.9412 63.1718 67.3462 174.2154 107 Q 4.6345 8.1240 124.7195 53.0657 31.7671 174.5108 108 P 4.5992 0.0000 0.0000 61.7820 32.2389 175.9362 109 L 4.2834 8.0820 118.4263 56.0750 42.1008 178.3362 110 Q 4.0740 9.2666 121.9302 56.5571 27.9619 174.2783 *111 H 4.9388 7.2369 112.9508 52.0202 30.5231 179.2675 112 H 4.5438 8.4860 119.1118 55.8315 28.9566 173.8661 113 N 4.9582 9.6027 118.7215 52.2075 43.3942 172.2605 114 L 4.8397 8.1829 123.4452 53.1056 44.8641 174.5953 115 L 4.3866 8.2377 126.8575 52.9192 43.8264 175.4540 116 V 4.3335 8.5016 124.6795 61.2800 33.5891 173.5513 117 C 5.0932 9.7162 129.2976 55.1740 43.6694 172.0673 118 S 5.0816 9.0169 123.2359 57.2069 63.6392 172.7404 119 V 5.0973 8.8466 128.0039 61.2496 33.7071 174.5520 120 S 5.0063 9.4392 121.8031 57.6311 67.0922 174.7636 121 G 4.0351 8.5360 106.7017 45.8959 0.0000 173.5236 122 F 5.2218 7.5910 114.4872 55.9483 40.5906 174.0600 123 Y 5.1953 9.0086 120.8150 56.0087 42.5974 173.2030 124 P 3.3872 0.0000 0.0000 61.5162 33.0299 175.9398 125 G 2.1355 7.5593 107.4287 47.9526 0.0000 174.5316 126 S 3.9306 7.5103 114.2968 58.7959 62.6307 172.8584 127 I 4.2515 7.4872 124.3680 60.1943 40.7458 172.5045 128 E 4.6008 9.1167 128.9524 54.3077 32.3552 174.4077 129 V 4.7377 8.4327 126.5611 61.1683 33.7801 174.7383 130 R 4.7031 9.2520 126.2938 54.2044 34.3651 174.3250 131 W 5.2691 8.5320 121.4691 55.2006 32.2412 174.9700 132 F 5.1748 9.8784 121.1550 55.7210 43.2264 173.7510 133 R 4.5413 9.1385 122.4365 55.4244 32.6734 175.6922 134 N 3.9614 9.8153 125.7971 54.4537 36.3375 175.4789 135 G 3.9638 8.0014 105.0810 45.9252 0.0000 172.7945 136 Q 4.5446 8.4313 120.5067 54.0423 29.8678 174.9339 137 E 3.6524 8.9180 124.2201 56.1319 30.1583 175.6669 138 E 4.5031 8.7190 126.5300 55.0365 30.0368 175.5621 139 K 4.2991 8.4432 123.3246 57.0184 33.3784 177.4579 140 A 4.0343 7.7239 121.7702 53.1169 19.0311 177.6480 141 G 3.8084 8.7752 108.9320 46.0580 0.0000 172.7930 142 V 4.2782 7.0919 120.6678 61.8175 32.1229 175.8747 143 V 4.2255 9.1848 130.2951 61.4679 32.8440 173.8256 144 S 5.3907 8.3999 122.9581 56.3704 63.8231 174.1678 145 T 3.8417 8.9278 117.5106 62.7263 68.6762 175.9724 146 G 3.7878 8.3392 111.4300 46.2256 0.0000 171.6551 147 L 4.6011 8.3800 120.7807 54.4021 43.4322 177.5138 148 I 4.6235 8.9731 126.4706 59.5740 40.6835 173.9788 149 Q 3.9244 8.6919 128.5703 54.8018 29.4568 175.0996 150 N 4.3833 8.6228 123.9174 53.3878 39.0985 176.4476 151 G 3.8697 7.9974 106.3453 45.3336 0.0000 173.4337 152 D 4.9848 7.4305 117.9083 52.7857 39.7496 175.7797 153 W 3.4324 8.1701 116.4217 58.8017 26.1223 173.8348 154 T 5.1502 7.5489 105.6144 60.1452 72.2655 172.3601 155 F 5.0855 8.6463 120.2880 55.8110 43.2821 173.9893 156 Q 5.0666 9.1361 118.1542 55.6285 32.8196 173.3407 157 T 4.9340 8.7551 111.6343 61.2237 71.6552 171.7923 158 L 5.1670 9.2387 128.5126 52.9292 44.9425 175.4224 159 V 4.7846 8.9924 124.3270 61.6073 33.7766 174.0667 160 M 5.1097 9.4654 128.7151 53.6542 34.8506 174.7987 161 L 4.6291 8.0142 124.2502 52.9483 44.4814 175.1906 162 E 4.5706 9.0487 127.4923 56.4582 29.9965 176.3497 163 T 4.5906 8.6972 113.8078 60.1269 73.1098 173.1960 164 V 4.4936 8.2397 121.8448 60.3101 32.8352 172.6154 165 P 4.9506 0.0000 0.0000 62.3454 32.8762 175.6485 166 R 4.7988 10.6400 123.6008 54.2317 31.8387 175.6707 167 S 4.0519 8.4676 115.0577 59.6962 62.6797 174.8670 168 G 3.9466 8.8719 115.2030 45.3813 0.0000 173.1256 169 E 4.3349 8.1022 120.2301 56.0444 31.1259 175.8338 170 V 4.8236 8.7719 123.3774 61.4087 34.1349 173.7455 171 Y 5.3555 9.6186 125.8299 56.7837 40.9705 174.9434 172 T 5.2928 9.9072 119.3765 62.0847 73.1600 171.8695 173 C 4.5232 9.1788 126.5085 54.5592 41.5315 172.0222 174 Q 5.1884 9.1892 127.8806 54.2431 31.8113 174.2083 175 V 4.7537 9.0359 125.4356 61.1966 34.7555 173.6918 176 E 4.9669 9.4139 128.2784 54.9166 32.1762 174.6479 177 H 4.8716 8.4972 122.0737 54.1794 33.0584 172.1653 178 P 4.1880 0.0000 0.0000 65.7749 31.5810 177.7099 179 S 4.3709 8.1527 113.0985 59.8036 63.6177 174.2966 180 V 4.7385 7.5314 119.2190 59.1495 34.1396 181.3768 181 T 4.2204 8.6188 114.9658 62.3573 69.3999 174.8273 182 S 4.7305 7.6006 113.7300 55.1843 65.9953 173.1019 183 A 4.2221 8.4358 122.4252 52.8477 18.8222 177.1361 184 L 4.4324 8.7409 122.3275 54.4316 42.9701 176.2748 185 T 5.1523 8.4061 112.9569 59.9570 72.2541 173.3890 186 V 4.6055 8.8610 122.9022 61.3220 35.0642 173.7146 187 E 5.3863 9.0099 125.2884 54.5468 32.1991 174.8849 188 W 5.1026 9.9205 131.5156 55.6938 34.3814 173.5974 189 R 4.6365 7.6853 126.2545 54.1648 31.5306 175.4364 *190 A 2.9517 8.5127 128.6468 52.1037 18.9232 175.9266 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 3 T 8.17 4.30 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 1.20 0.00 0.00 4 R 8.05 3.74 0.00 1.87 1.91 0.00 3.24 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 5 P 0.00 4.20 0.00 1.65 1.93 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 6 R 7.79 4.40 0.00 1.63 1.74 0.00 3.08 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 7 F 8.38 5.07 0.00 3.07 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 8 L 9.64 4.83 0.00 1.68 1.48 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 9 E 9.09 5.18 0.00 2.14 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 2.41 2.60 0.00 10 L 9.40 4.93 0.00 1.75 1.55 0.85 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.61 5.09 0.00 1.68 1.66 0.00 2.96 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 12 K 9.19 4.57 0.00 1.91 1.76 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.68 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.30 1.31 7.81 13 S 8.81 5.04 0.00 4.11 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 14 E 9.39 4.84 0.00 1.91 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 2.29 2.47 0.00 15 C 8.75 5.28 0.00 2.91 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 16 H 9.25 4.73 0.00 3.12 3.08 0.00 5.56 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 17 F 8.49 5.32 0.00 3.04 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 18 F 8.94 4.58 0.00 3.14 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 19 N 8.69 4.24 0.00 3.06 2.89 0.00 0.00 7.06 7.90 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 *20 G 7.71 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 21 T 7.88 4.57 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 1.09 0.00 0.00 22 E 8.62 4.11 0.00 2.07 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 0.00 2.59 2.46 0.00 23 R 8.19 4.73 0.00 1.84 1.78 0.00 2.95 0.00 0.00 2.81 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 24 V 8.53 4.81 2.13 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 0.69 0.00 0.00 1.10 0.00 0.00 25 R 9.16 4.65 0.00 1.98 1.93 0.00 3.27 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 26 Y 9.18 5.34 0.00 3.21 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 27 L 8.30 4.98 0.00 1.56 1.41 0.84 0.85 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 28 D 8.96 5.21 0.00 2.68 2.71 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 0.00 0.00 0.00 0.00 29 R 8.65 4.99 0.00 2.06 1.56 0.00 3.16 0.00 0.00 3.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 30 Y 8.35 4.71 0.00 2.34 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.62 5.37 0.00 3.12 3.05 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 32 H 10.29 5.45 0.00 3.19 3.24 0.00 5.74 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 10.13 4.00 0.00 2.92 2.20 0.00 0.00 7.06 7.57 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 34 Q 9.07 4.45 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 35 E 8.55 4.81 0.00 1.85 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 2.13 2.07 0.00 36 E 9.03 4.10 0.00 1.53 1.74 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 1.85 1.47 0.00 37 F 8.61 5.04 0.00 3.04 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 38 L 6.95 4.96 0.00 1.04 1.11 0.10 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.82 5.04 0.00 1.87 1.68 0.00 3.05 0.00 0.00 3.02 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.69 0.00 40 F 9.26 4.43 0.00 1.89 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 41 D 7.63 5.16 0.00 2.55 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 9.28 4.56 0.00 4.07 4.50 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 43 D 8.38 4.43 0.00 2.74 2.69 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 44 V 7.91 3.79 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 0.64 0.00 0.00 0.84 0.00 0.00 45 G 7.99 4.02 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 0.00 0.00 0.00 46 E 7.13 4.95 0.00 1.82 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.34 0.00 47 Y 9.06 4.44 0.00 3.36 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 48 R 9.39 4.81 0.00 1.65 1.78 0.00 3.09 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 49 A 8.63 4.63 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 50 V 8.91 4.30 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 0.68 0.00 0.00 0.94 0.00 0.00 51 T 7.70 4.75 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 1.37 0.00 0.00 52 E 8.80 4.16 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 2.40 2.24 0.00 53 L 8.10 3.88 0.00 1.66 1.60 0.92 0.71 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 54 G 8.62 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 0.00 0.00 0.00 0.00 55 R 7.64 3.92 0.00 1.80 1.97 0.00 3.30 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 56 P 0.00 4.34 0.00 1.99 2.05 0.00 3.40 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 57 V 7.35 3.04 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 -0.70 0.00 0.00 0.63 0.00 0.00 58 A 7.93 3.97 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 59 E 7.96 3.94 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.23 0.00 60 S 7.95 4.27 0.00 3.83 3.87 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 61 W 8.66 4.44 0.00 3.15 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 62 N 9.24 4.79 0.00 2.86 3.00 0.00 0.00 6.94 5.12 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 63 S 8.09 4.62 0.00 3.73 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 64 Q 7.86 4.72 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 65 K 8.60 4.21 0.00 1.76 1.81 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.07 7.81 66 D 8.02 4.71 0.00 2.68 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 67 L 7.80 4.09 0.00 1.63 1.91 0.47 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 9.02 5.08 0.00 4.17 4.08 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 0.00 119 V 8.85 5.10 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 0.80 0.00 0.00 0.87 0.00 0.00 120 S 9.44 5.01 0.00 3.88 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 0.00 121 G 8.54 4.04 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 0.00 122 F 7.59 5.22 0.00 2.94 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 0.00 123 Y 9.01 5.20 0.00 3.48 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 0.00 124 P 0.00 3.39 0.00 1.81 1.89 0.00 3.83 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.92 0.00 125 G 7.56 2.14 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 0.00 0.00 0.00 126 S 7.51 3.93 0.00 3.69 3.67 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 0.00 127 I 7.49 4.25 1.45 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.49 0.83 0.00 0.00 128 E 9.12 4.60 0.00 2.03 1.69 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 2.18 2.08 0.00 129 V 8.43 4.74 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 0.67 0.00 0.00 0.81 0.00 0.00 130 R 9.25 4.70 0.00 1.84 1.50 0.00 3.14 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 131 W 8.53 5.27 0.00 3.21 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 0.00 132 F 9.88 5.17 0.00 3.06 3.05 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 0.00 133 R 9.14 4.54 0.00 1.80 1.69 0.00 3.34 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.00 134 N 9.82 3.96 0.00 2.74 2.91 0.00 0.00 7.07 7.52 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 0.00 135 G 8.00 3.96 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 0.00 0.00 0.00 136 Q 8.43 4.54 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.94 0.00 0.00 0.00 0.00 0.00 2.66 2.45 0.00 137 E 8.92 3.65 0.00 1.91 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 2.02 1.60 0.00 138 E 8.72 4.50 0.00 1.97 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 2.46 2.52 0.00 139 K 8.44 4.30 0.00 1.70 1.82 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.45 7.81 140 A 7.72 4.03 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.78 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.09 4.28 2.10 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 0.83 0.00 0.00 1.04 0.00 0.00 143 V 9.18 4.23 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 0.86 0.00 0.00 0.88 0.00 0.00 144 S 8.40 5.39 0.00 3.93 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 0.00 145 T 8.93 3.84 4.28 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 1.27 0.00 0.00 146 G 8.34 3.79 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 0.00 0.00 0.00 147 L 8.38 4.60 0.00 1.69 1.62 1.16 0.64 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 0.00 148 I 8.97 4.62 2.04 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 1.13 0.88 0.93 0.00 0.00 149 Q 8.69 3.92 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.96 0.00 0.00 0.00 0.00 0.00 1.98 1.67 0.00 150 N 8.62 4.38 0.00 2.88 2.74 0.00 0.00 7.17 7.92 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 0.00 151 G 8.00 3.87 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 0.00 0.00 0.00 152 D 7.43 4.98 0.00 2.80 2.72 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 0.00 153 W 8.17 3.43 0.00 3.33 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 0.00 154 T 7.55 5.15 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 1.28 0.00 0.00 155 F 8.65 5.09 0.00 1.51 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 0.00 0.00 0.00 156 Q 9.14 5.07 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 157 T 8.76 4.93 4.48 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 1.39 0.00 0.00 158 L 9.24 5.17 0.00 1.65 1.56 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.99 4.78 2.14 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 1.03 0.00 0.00 0.96 0.00 0.00 160 M 9.47 5.11 0.00 1.81 1.86 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.39 0.00 161 L 8.01 4.63 0.00 0.27 0.13 0.77 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 162 E 9.05 4.57 0.00 1.80 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 2.22 2.30 0.00 163 T 8.70 4.59 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 0.62 0.00 0.00 164 V 8.24 4.49 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 0.88 0.00 0.00 0.94 0.00 0.00 165 P 0.00 4.95 0.00 2.40 2.44 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.02 0.00 166 R 10.64 4.80 0.00 1.89 1.86 0.00 3.38 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 167 S 8.47 4.05 0.00 3.83 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 G 8.87 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 0.00 169 E 8.10 4.33 0.00 2.14 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 2.27 2.44 0.00 170 V 8.77 4.82 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 1.08 0.00 0.00 0.91 0.00 0.00 171 Y 9.62 5.36 0.00 3.46 3.29 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 0.00 172 T 9.91 5.29 4.46 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 1.24 0.00 0.00 173 C 9.18 4.52 0.00 1.48 2.48 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 0.00 174 Q 9.19 5.19 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 175 V 9.04 4.75 1.97 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 0.72 0.00 0.00 0.77 0.00 0.00 176 E 9.41 4.97 0.00 1.94 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 2.22 2.09 0.00 177 H 8.50 4.87 0.00 2.92 2.98 0.00 5.70 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.19 0.00 1.93 2.06 0.00 3.17 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.98 0.00 179 S 8.15 4.37 0.00 4.11 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 0.00 180 V 7.53 4.74 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 181 T 8.62 4.22 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 182 S 7.60 4.73 0.00 3.92 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 0.00 183 A 8.44 4.22 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 L 8.74 4.43 0.00 1.75 1.55 0.91 0.34 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 0.00 185 T 8.41 5.15 4.19 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 1.13 0.00 0.00 186 V 8.86 4.61 2.06 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 1.11 0.00 0.00 0.97 0.00 0.00 187 E 9.01 5.39 0.00 2.09 1.97 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 2.25 2.37 0.00 188 W 9.92 5.10 0.00 3.56 3.37 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 0.00 189 R 7.69 4.64 0.00 1.65 1.49 0.00 3.36 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 *190 A 8.51 2.95 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 * Residues marked with a * may have inaccurate shift predictions.