NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.5183 8.3349 115.5578 58.5138 63.4024 172.5031 13 S 4.7218 8.7452 122.9534 56.1474 66.9891 171.5544 14 N 4.6565 9.7097 121.1366 52.1228 40.1830 174.0702 15 I 4.7091 8.6844 125.2674 59.2373 40.5176 174.2040 16 L 5.1468 8.9452 129.4346 53.4487 44.3097 174.8169 17 I 4.6991 8.8266 127.5106 59.6160 39.9127 174.6101 18 I 4.3130 8.3938 129.2837 59.7843 38.6712 174.6681 19 N 4.7554 9.0056 128.3859 52.2541 39.5960 174.8287 20 G 4.1682 9.1082 113.9472 45.9536 0.0000 172.9793 21 A 4.2174 7.9076 123.1119 52.5904 18.6702 178.7167 22 K 4.4095 8.3007 122.6520 56.4040 33.0166 176.3271 *29 G 3.8766 8.0257 103.9023 44.6566 0.0000 175.7257 30 Q 3.9725 8.2386 122.3769 58.5785 29.1131 176.5949 31 L 3.9774 7.9259 121.0713 58.4035 42.2215 178.6827 32 N 4.5196 8.1531 115.7539 56.1251 38.4663 177.1401 33 D 4.3335 7.8336 120.6717 57.6624 40.9745 178.7576 34 T 3.9017 8.5427 116.5145 66.8515 68.5181 176.7635 35 L 4.2201 8.5055 121.0067 57.7837 41.4662 179.7845 36 T 3.9606 7.9180 116.1631 66.5791 68.3492 176.4763 37 E 3.9447 8.2136 120.5432 59.3806 29.4657 179.4724 38 V 3.5625 7.9951 117.9435 66.0468 31.5015 177.9163 39 A 3.7464 8.1199 120.3183 55.1022 18.3662 179.0463 40 D 4.3014 8.4022 116.9163 57.4730 41.4389 178.8050 41 G 3.5707 8.4535 106.6128 48.0062 0.0000 175.9383 42 T 3.8425 7.9922 118.3333 66.3833 68.5055 176.9292 43 L 3.9781 8.0179 121.1122 57.8929 41.5909 179.8885 44 R 4.5454 7.7802 118.8992 58.7960 29.7863 178.6726 45 D 4.4653 7.8733 117.0040 56.1854 40.8153 177.5469 46 L 4.4715 7.1921 117.6611 54.2273 42.0047 177.3065 47 G 3.8874 8.0710 108.1176 45.1505 0.0000 173.7281 48 H 4.8007 7.7935 117.0498 55.3089 30.7019 174.0134 49 D 5.1603 8.5138 120.1741 53.3121 42.7494 175.9561 50 V 5.1898 8.4063 120.9534 61.3490 35.0705 174.7091 51 R 4.6947 9.0626 124.3320 54.4222 34.2248 174.2103 52 I 5.1139 8.3320 122.7623 59.4282 40.4350 175.2920 53 V 4.4541 8.4229 125.0019 59.8822 34.8012 174.2753 54 R 4.5952 8.6467 124.5496 55.3358 30.1724 175.8149 55 A 3.9721 8.6865 129.3688 54.5622 18.9263 177.8859 56 D 4.4574 7.7216 116.1592 52.0492 39.6193 174.0557 57 S 4.5089 7.5245 115.7165 57.4989 66.7425 175.1463 58 D 4.3785 8.2033 120.6173 52.9241 39.6107 174.9199 59 Y 4.3143 6.8976 120.1259 57.1986 39.4465 175.0837 60 D 4.9049 8.5598 119.5297 52.7530 42.9915 177.1965 61 V 3.7146 8.5618 120.9851 64.6852 31.6687 178.6590 62 K 4.0177 8.1517 117.4628 59.2816 32.0288 179.0654 63 A 4.0369 8.3629 121.1432 55.3061 18.3343 179.5870 64 E 4.1057 8.3711 117.1421 59.5183 29.4957 179.7162 65 V 3.6780 7.8716 118.3617 66.2044 31.7100 178.1881 66 Q 4.1747 8.2324 117.6387 58.8096 28.3965 178.4841 67 N 4.4546 8.2280 117.8318 56.3366 38.3706 177.4292 68 F 3.9662 8.4898 118.2612 60.5853 39.0913 177.4903 69 L 4.2464 8.0801 117.7657 57.3720 41.4394 179.0637 70 W 4.2432 8.0805 127.4257 59.3325 31.1252 176.7017 71 A 3.7933 7.9238 120.8376 52.2490 18.5408 176.5996 72 D 4.6854 8.7596 120.5677 55.1123 43.1793 176.8945 73 V 5.0031 7.3819 117.2156 61.0461 35.6132 174.0215 74 V 4.6278 9.1142 127.4462 61.1804 34.0802 173.9592 75 I 4.6991 8.7750 129.4443 59.6134 39.4206 174.9105 76 W 4.9096 9.0309 127.6309 55.4002 30.2433 174.4776 77 Q 5.3769 9.0155 127.3712 53.4991 30.0299 172.9183 *79 P 4.9034 0.0000 0.0000 62.6200 32.9151 175.9152 80 G 3.0954 8.2525 108.9477 45.1474 0.0000 173.3074 81 W 4.2405 9.1790 126.0934 55.4597 31.1904 175.1087 82 W 3.3482 8.0159 119.6273 58.5391 28.4188 175.1572 *84 G 3.7542 7.4866 104.6211 45.0900 0.0000 171.5167 85 A 4.4031 8.5930 124.2183 51.2301 19.3699 176.1047 86 P 4.4064 0.0000 0.0000 62.0039 32.1212 177.6156 87 W 4.3893 8.7372 118.3890 60.0966 27.8201 178.5677 88 T 3.3111 6.5589 109.9332 64.0264 68.1395 176.7263 89 V 3.7089 7.4998 121.4437 65.5993 31.6202 177.9430 90 K 3.9200 8.0054 119.0498 59.2706 32.1334 178.6089 91 K 4.1566 8.5824 120.4893 59.3773 32.0992 178.1501 92 Y 3.9786 7.8694 121.1090 60.0903 38.6372 178.1496 93 I 3.0864 7.9663 120.6028 64.4287 36.6737 177.9517 94 D 4.2992 8.3453 119.8898 57.7049 40.6303 178.8785 95 D 4.2587 8.5724 119.4744 57.4266 40.9832 179.0512 96 V 3.4723 7.9435 118.9124 66.0680 31.3342 178.2145 97 F 4.1846 8.3600 116.7836 60.8041 38.9536 177.5802 98 T 4.2471 7.6431 115.2454 66.6723 68.1042 176.5426 99 E 4.1336 8.1608 120.1528 58.8510 29.9051 178.3589 100 G 3.8867 8.0825 104.3692 42.5995 0.0000 172.7192 101 H 3.4677 7.6259 122.1950 57.4400 30.0160 175.3231 102 G 3.9295 9.2810 116.4501 45.3801 0.0000 173.7672 103 T 4.4068 7.6388 106.7962 62.9559 71.2218 175.7952 104 L 4.2913 8.5307 122.2999 55.7156 42.7453 176.1151 105 Y 5.1048 7.4224 114.1131 55.6215 40.9084 174.9856 106 A 4.1741 8.8658 124.8329 53.7901 20.6624 177.0166 107 S 4.7644 7.3063 107.6092 58.4300 65.4316 175.2693 108 D 4.1107 8.6158 119.5448 53.9791 39.3578 177.5168 109 G 3.8372 8.1189 108.9379 46.6810 0.0000 174.1934 110 R 4.0139 8.1890 118.8106 55.2890 28.9787 175.8829 *118 K 4.1468 8.1381 122.2766 55.6403 33.4020 174.7738 119 Y 4.2279 8.3739 120.7524 59.5333 38.9020 176.1841 120 G 3.6056 8.1008 115.5004 45.2074 0.0000 173.7406 121 S 4.5857 7.5399 113.4917 58.1664 63.4794 174.9990 122 G 4.3281 6.7519 105.9837 45.9059 0.0000 174.3386 123 G 4.2488 7.9086 107.2048 45.8940 0.0000 174.0563 124 L 4.8574 8.8888 118.0274 53.4910 43.9161 177.7555 125 V 4.4906 7.5978 113.5859 60.5294 32.3281 175.9068 126 Q 4.8495 7.4552 117.2840 56.9221 29.3567 176.2289 127 G 4.1341 8.9867 108.6986 45.5641 0.0000 174.3593 128 K 4.5755 7.4826 117.1948 55.8802 33.3228 176.7517 129 K 5.1934 9.1374 121.3343 55.1901 36.5245 175.0832 130 Y 5.7368 8.2430 118.7864 54.8930 42.1321 173.3833 *132 L 4.6786 8.3009 117.1471 55.0613 43.8179 176.2178 133 S 4.9775 9.2492 117.8816 56.7535 64.9638 172.5784 134 L 5.1940 9.0747 127.6169 52.9644 45.6560 175.7894 135 T 4.9671 8.3610 110.3075 59.9171 71.6760 172.7780 136 W 5.1196 9.2625 125.4539 54.8452 33.4468 175.8771 137 N 4.4503 8.9085 120.3555 56.4957 39.7672 175.3162 138 A 4.6428 8.4623 119.7736 50.3319 20.1587 176.5864 139 P 4.9844 0.0000 0.0000 62.3744 30.1864 179.6807 *141 E 4.3033 8.8728 114.4535 55.9934 31.0410 177.3301 142 A 4.2771 8.1114 121.9468 54.0838 18.8730 178.8225 143 F 4.6182 8.3745 114.1396 58.5195 40.0989 177.5977 144 T 4.2852 7.9718 108.7502 62.1937 69.9329 174.4648 145 E 4.3811 7.9564 123.1386 54.9384 30.2045 177.2566 146 K 4.1275 9.1552 123.8066 58.5007 32.2444 177.8213 147 D 4.6666 8.0193 115.0698 53.4294 39.9053 176.0453 148 Q 4.4252 7.9438 120.1669 54.3732 30.6104 175.5234 149 F 3.9694 8.4831 120.6298 61.2772 39.0760 175.6522 150 F 4.4350 7.3725 124.3684 55.9178 38.6982 176.7925 151 H 4.9845 7.7104 129.8879 54.9270 28.2751 176.9911 152 G 4.0103 10.3969 103.0840 46.6212 0.0000 175.4262 153 V 3.7149 7.7697 112.7352 61.4867 32.1665 177.2817 154 G 4.0228 8.3246 106.1872 45.4326 0.0000 174.8544 155 V 3.1077 8.0331 118.0846 66.0937 31.0819 178.0783 156 D 4.6870 8.0251 116.5492 56.8015 40.9341 178.6925 157 G 3.8186 7.8473 107.6597 47.3890 0.0000 175.8520 158 V 3.5866 7.6107 119.8493 65.1274 31.5319 176.5955 159 Y 4.4725 7.7207 114.6401 57.6062 37.8700 176.8413 160 L 4.0782 7.9696 124.3185 58.2697 42.0820 177.4561 161 P 4.2739 0.0000 0.0000 65.8671 30.8986 178.0918 162 F 3.7458 8.2432 119.8096 61.2684 39.4097 176.5146 163 H 4.3726 8.7250 116.1012 59.2588 28.6171 177.9801 164 K 4.0488 8.6123 120.0806 59.2842 31.5809 179.2912 165 A 3.9310 7.7223 120.5512 55.1380 18.6501 179.1850 166 N 4.4688 7.6795 114.9647 56.6257 38.5264 177.8231 167 Q 4.1626 8.3440 119.4776 58.6432 28.5055 178.4206 168 F 4.0552 8.1996 121.3275 61.0316 39.6275 176.4956 169 L 4.2763 7.9486 117.1375 54.8844 43.0008 176.6524 170 G 4.2557 8.0982 109.3639 45.9083 0.0000 172.5315 *172 E 4.6540 7.7095 118.6152 55.6910 31.8174 175.1904 173 P 4.0551 0.0000 0.0000 62.4848 32.4956 175.1884 174 L 4.7356 7.7919 120.8720 51.8086 45.0086 174.6868 175 P 4.2441 0.0000 0.0000 63.4986 31.6376 176.8068 176 T 4.4026 8.4138 119.8034 63.5235 69.4923 173.5618 177 F 4.8488 9.0192 127.2750 56.4326 42.3719 173.9220 178 I 4.4851 6.8003 124.0356 59.2076 41.2275 173.4212 179 A 4.2395 8.5419 131.4294 50.3011 20.5958 175.7479 180 N 5.0711 8.5593 119.7493 51.6113 41.0992 174.1313 181 D 5.1900 8.4767 116.4031 54.4342 39.1297 176.6783 182 V 3.8847 7.8053 112.5319 63.4484 32.1103 178.3440 183 I 4.1137 7.1221 119.3656 62.6763 38.7194 177.0517 184 K 4.1254 7.8605 115.3438 56.6460 31.2043 175.5236 *186 P 4.4298 0.0000 0.0000 62.9119 31.8305 176.4342 187 D 4.4792 8.1070 127.9101 52.8129 40.1781 176.8956 188 V 4.0806 7.0228 118.5736 60.2290 32.8183 173.0945 189 P 4.3788 0.0000 0.0000 62.8473 32.2334 174.9266 190 R 4.1989 8.8529 122.3115 57.5036 27.1842 176.6875 191 Y 4.6127 7.7394 116.4448 61.5271 37.8001 178.8050 192 T 4.0619 8.0244 116.3179 66.5885 68.6566 176.2798 193 E 3.9790 8.1713 120.8258 59.3375 29.7297 178.5525 194 E 4.0954 8.4900 118.7494 59.4353 29.4668 178.7768 195 Y 3.0182 8.0753 119.6147 60.2795 38.9242 177.5707 196 R 3.6043 7.9128 119.6823 59.5056 30.1048 178.3393 197 K 3.9282 8.1163 119.1393 59.6166 32.1490 178.2194 198 H 4.1138 8.3122 118.8000 59.2643 29.7639 177.2806 199 L 4.0952 8.0560 121.1652 57.8440 41.3571 179.7067 200 V 3.6570 7.6791 117.9794 65.9666 31.2115 177.9221 201 E 3.8845 8.0106 117.6043 59.0220 29.2970 178.8464 202 I 3.7758 7.1740 118.1675 63.0915 37.7293 177.3863 203 F 4.8489 8.1812 115.1370 57.0723 39.3398 176.2324 204 G 3.7549 8.1073 113.8489 45.7342 0.0000 173.7340 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 12 S 8.33 4.52 0.00 3.87 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 13 S 8.75 4.72 0.00 3.68 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 0.00 14 N 9.71 4.66 0.00 1.79 1.42 0.00 0.00 7.16 6.91 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 15 I 8.68 4.71 1.71 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.72 0.66 0.00 0.00 16 L 8.95 5.15 0.00 1.81 1.31 0.90 0.42 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 17 I 8.83 4.70 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.75 0.88 0.00 0.00 18 I 8.39 4.31 1.43 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 0.23 -0.32 0.41 0.00 0.00 19 N 9.01 4.76 0.00 2.75 2.66 0.00 0.00 6.64 8.55 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 20 G 9.11 4.17 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 0.00 0.00 0.00 21 A 7.91 4.22 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 22 K 8.30 4.41 0.00 1.39 1.43 0.00 1.38 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.27 0.98 7.81 *29 G 8.03 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 30 Q 8.24 3.97 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 31 L 7.93 3.98 0.00 1.85 1.68 1.05 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.15 4.52 0.00 2.87 2.86 0.00 0.00 7.10 8.08 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 33 D 7.83 4.33 0.00 2.88 2.73 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 34 T 8.54 3.90 4.52 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 1.27 0.00 0.00 35 L 8.51 4.22 0.00 1.65 1.77 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.92 3.96 4.45 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 1.21 0.00 0.00 37 E 8.21 3.94 0.00 2.27 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 2.34 2.48 0.00 38 V 8.00 3.56 2.41 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 0.99 0.00 0.00 1.08 0.00 0.00 39 A 8.12 3.75 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 40 D 8.40 4.30 0.00 2.69 2.81 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 41 G 8.45 3.57 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 0.00 42 T 7.99 3.84 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 1.13 0.00 0.00 43 L 8.02 3.98 0.00 1.58 1.56 0.60 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.78 4.55 0.00 1.86 1.96 0.00 3.13 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 45 D 7.87 4.47 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 46 L 7.19 4.47 0.00 1.71 1.62 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.07 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 48 H 7.79 4.80 0.00 3.14 3.27 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.51 5.16 0.00 2.77 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 50 V 8.41 5.19 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 0.80 0.00 0.00 0.90 0.00 0.00 51 R 9.06 4.69 0.00 1.57 1.49 0.00 2.21 0.00 0.00 2.56 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.78 0.00 52 I 8.33 5.11 1.83 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 1.36 0.86 0.87 0.00 0.00 53 V 8.42 4.45 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 1.15 0.00 0.00 54 R 8.65 4.60 0.00 1.84 1.90 0.00 3.24 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 55 A 8.69 3.97 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 56 D 7.72 4.46 0.00 2.44 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 57 S 7.52 4.51 0.00 4.02 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 58 D 8.20 4.38 0.00 2.59 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 59 Y 6.90 4.31 0.00 3.35 3.25 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 0.00 60 D 8.56 4.90 0.00 2.84 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.56 3.71 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 0.97 0.00 0.00 0.97 0.00 0.00 62 K 8.15 4.02 0.00 1.99 1.88 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.73 1.53 7.81 63 A 8.36 4.04 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 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0.00 2.41 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 0.00 2.30 2.35 0.00 142 A 8.11 4.28 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 0.00 143 F 8.37 4.62 0.00 2.99 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 0.00 144 T 7.97 4.29 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 1.25 0.00 0.00 145 E 7.96 4.38 0.00 2.14 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 2.32 2.31 0.00 146 K 9.16 4.13 0.00 1.84 1.91 0.00 1.94 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.71 1.44 7.81 147 D 8.02 4.67 0.00 2.80 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 0.00 148 Q 7.94 4.43 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 149 F 8.48 3.97 0.00 2.56 2.34 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 0.00 150 F 7.37 4.44 0.00 3.10 2.81 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 0.00 151 H 7.71 4.98 0.00 3.20 3.38 0.00 5.99 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 G 10.40 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 V 7.77 3.71 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 0.83 0.00 0.00 0.98 0.00 0.00 154 G 8.32 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 0.00 155 V 8.03 3.11 1.70 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 0.58 0.00 0.00 -0.28 0.00 0.00 156 D 8.03 4.69 0.00 2.70 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 0.00 157 G 7.85 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.61 3.59 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 0.54 0.00 0.00 0.14 0.00 0.00 159 Y 7.72 4.47 0.00 3.18 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 0.00 160 L 7.97 4.08 0.00 1.91 1.80 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 4.27 0.00 2.33 2.33 0.00 3.72 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 2.13 2.06 0.00 162 F 8.24 3.75 0.00 3.23 3.34 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 0.00 163 H 8.73 4.37 0.00 3.59 3.56 0.00 5.68 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 0.00 164 K 8.61 4.05 0.00 1.82 1.97 0.00 1.80 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.74 1.70 7.81 165 A 7.72 3.93 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 0.00 166 N 7.68 4.47 0.00 2.03 1.98 0.00 0.00 7.04 7.79 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 0.00 167 Q 8.34 4.16 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.64 2.76 0.00 168 F 8.20 4.06 0.00 3.06 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 7.95 4.28 0.00 1.94 1.65 0.76 -0.12 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 0.00 170 G 8.10 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 0.00 0.00 0.00 0.00 *172 E 7.71 4.65 0.00 2.02 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 2.38 2.39 0.00 173 P 0.00 4.06 0.00 1.90 1.85 0.00 3.77 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 1.93 2.03 0.00 174 L 7.79 4.74 0.00 1.49 1.48 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 175 P 0.00 4.24 0.00 2.03 2.02 0.00 3.55 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.07 0.00 176 T 8.41 4.40 4.17 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 1.01 0.00 0.00 177 F 9.02 4.85 0.00 2.72 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 0.00 178 I 6.80 4.49 1.40 0.00 0.00 0.58 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 0.63 0.53 0.00 0.00 179 A 8.54 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 N 8.56 5.07 0.00 2.59 2.94 0.00 0.00 7.36 8.06 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 0.00 181 D 8.48 5.19 0.00 2.90 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 0.00 182 V 7.81 3.88 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 0.36 0.00 0.00 0.92 0.00 0.00 183 I 7.12 4.11 1.83 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 1.28 0.81 0.86 0.00 0.00 184 K 7.86 4.13 0.00 2.03 1.82 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.51 7.81 *186 P 0.00 4.43 0.00 2.09 2.13 0.00 3.72 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.20 0.00 187 D 8.11 4.48 0.00 2.30 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 V 7.02 4.08 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 0.97 0.00 0.00 1.16 0.00 0.00 189 P 0.00 4.38 0.00 2.05 1.97 0.00 3.69 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 0.00 190 R 8.85 4.20 0.00 1.85 1.89 0.00 3.15 0.00 0.00 3.49 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.39 0.00 191 Y 7.74 4.61 0.00 3.20 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 0.00 192 T 8.02 4.06 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 1.26 0.00 0.00 193 E 8.17 3.98 0.00 2.02 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 0.00 2.39 2.35 0.00 194 E 8.49 4.10 0.00 2.47 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 0.00 2.46 2.77 0.00 195 Y 8.08 3.02 0.00 2.39 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 0.00 196 R 7.91 3.60 0.00 1.92 2.13 0.00 3.12 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 1.57 1.58 0.00 197 K 8.12 3.93 0.00 1.96 1.98 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.44 7.81 198 H 8.31 4.11 0.00 3.36 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 L 8.06 4.10 0.00 1.66 1.65 0.10 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 200 V 7.68 3.66 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 1.09 0.00 0.00 0.92 0.00 0.00 201 E 8.01 3.88 0.00 2.08 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 2.31 2.47 0.00 202 I 7.17 3.78 1.11 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.43 -0.03 0.00 0.00 203 F 8.18 4.85 0.00 3.07 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 0.00 204 G 8.11 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 * Residues marked with a * may have inaccurate shift predictions.