NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 66 K 4.2720 8.3144 120.1332 55.9117 33.3004 175.1827 67 I 3.8065 8.3607 124.9778 60.5847 38.6202 169.6781 68 V 4.5113 9.1618 122.0754 59.6943 34.6361 174.9307 69 K 4.7168 8.2471 122.3155 54.2788 35.3637 174.9833 70 Y 4.0957 8.3391 125.0339 56.6892 39.2455 174.9225 71 P 4.0811 0.0000 0.0000 60.9784 31.9783 175.1887 72 D 3.7831 7.5510 118.7133 55.0355 41.8171 175.2034 73 P 4.3495 0.0000 0.0000 64.6709 32.1636 178.0181 74 I 3.6414 7.9779 120.1873 64.1648 38.0410 177.1864 75 L 4.2976 7.9968 118.3979 56.2192 41.3591 178.0026 76 R 4.6064 7.6818 116.3815 55.7571 31.3289 176.0289 77 R 4.3407 7.5056 117.0781 55.3926 31.6222 176.0999 78 R 4.2799 8.2771 121.4600 55.2902 30.4164 176.3311 79 S 4.5218 8.3028 122.7226 58.4903 63.7958 173.7897 80 E 4.7746 8.9048 121.7820 54.1536 32.3653 175.4915 81 E 4.3606 8.8680 122.0756 56.9463 30.2138 177.2491 82 V 3.6471 9.0246 124.6866 62.9025 32.2313 175.5648 83 T 4.2970 8.2916 116.0346 62.3102 70.5472 174.0202 84 N 4.7240 7.7902 119.3988 51.7850 39.8084 176.0559 85 F 4.6294 8.7557 126.6155 56.1148 38.4465 174.6637 86 D 5.1426 7.4497 123.7954 53.1331 41.1448 177.7874 87 D 4.5454 8.6760 114.6110 57.0077 41.2967 177.4962 88 N 4.1887 8.2955 117.2667 56.9676 38.6742 176.1354 89 L 3.9146 8.1397 121.2575 58.1100 41.9624 178.9490 90 K 3.9409 8.2690 118.5730 59.8935 32.0280 179.5466 91 R 3.9458 8.0037 117.3888 59.0388 29.7121 179.2956 92 V 3.5687 7.4713 117.6945 65.9912 31.6514 177.9960 93 V 3.7177 7.9244 117.1781 65.7332 31.5703 177.7871 94 R 4.2424 8.3275 118.9890 59.2162 29.8938 178.9466 95 K 3.9481 8.0889 117.4957 57.5923 32.3574 177.9165 *97 F 4.3215 8.0008 117.6545 57.1156 41.1821 176.3788 98 D 4.7208 8.4616 120.4093 57.7607 40.8195 179.7729 99 I 3.7050 7.9615 117.6911 62.1721 36.7195 177.7690 *101 Y 4.9730 8.0581 119.4656 58.3196 39.5391 177.1914 102 E 4.0306 8.2944 118.7844 59.2118 29.6922 177.5826 103 S 4.4508 8.2795 112.1146 57.7233 63.6362 173.7958 104 K 4.1354 8.1219 118.8796 57.8025 29.1550 174.9707 105 G 4.0043 7.4094 105.6713 43.5623 0.0000 171.5547 106 I 3.4677 7.8007 119.7361 62.1553 38.5934 175.4766 107 G 4.5763 7.3212 104.4496 44.8134 0.0000 171.6166 108 L 4.7117 9.0331 121.0374 53.6746 46.1503 174.2286 109 S 5.1457 8.2500 118.8008 56.2309 66.1333 175.0452 110 A 3.9767 8.5201 123.8954 54.8363 18.5433 178.5842 111 P 4.4996 0.0000 0.0000 64.9640 31.7382 178.6294 112 Q 4.0582 7.9399 116.9109 58.0155 28.7694 177.3022 113 V 4.5529 7.4218 110.6607 61.4032 32.5144 174.8673 114 N 4.0816 7.8658 113.5108 54.6514 37.3350 174.7828 115 I 4.4535 7.8114 117.8105 59.7617 40.6886 176.8306 116 S 4.4184 8.5229 124.8798 58.4610 61.0590 173.2241 117 K 4.7821 7.6588 117.8778 54.2926 35.0579 179.0712 118 R 4.4216 8.0909 122.5914 55.8972 27.9525 175.4208 119 I 5.1422 7.5239 121.1782 59.5709 42.1836 175.3993 120 I 5.0878 8.2466 124.0169 60.2384 41.7206 174.5621 121 V 5.0541 9.1322 119.7619 59.8509 36.5537 174.4937 122 W 5.1321 8.4061 118.8760 56.8936 32.0355 172.9210 123 N 4.8729 9.2948 114.6965 53.2636 39.7546 173.8927 124 A 4.2554 9.4516 129.8129 54.3196 19.5115 177.9917 125 L 4.8813 8.1695 116.0063 54.0382 41.2849 177.1118 126 Y 4.7893 8.0900 115.1012 58.5167 39.2728 177.3433 127 E 3.6801 7.7423 120.0435 58.5187 30.1825 177.4928 128 K 4.4752 6.7774 115.8549 56.7413 31.6672 176.0133 129 R 3.1087 6.4139 115.4166 55.0220 30.4605 176.6312 130 K 4.0484 8.6192 118.7840 55.3378 33.3763 173.6054 131 E 4.3594 8.4825 124.1191 56.6415 29.8689 178.0349 132 E 3.8954 8.7078 117.0097 56.7371 27.8291 174.7215 133 N 4.8100 8.0803 115.3330 53.2678 40.1553 174.0577 134 E 4.6924 7.8454 117.8675 56.2886 31.4256 175.3885 135 R 4.5326 8.6892 121.9829 54.2547 33.5970 174.5724 136 I 4.9375 7.7463 123.2424 59.4526 40.2996 175.1097 137 F 4.6693 9.2892 124.4183 56.0678 42.5767 173.7750 138 I 4.6249 9.1377 125.2588 60.1376 39.3915 175.8975 139 N 4.4991 8.6806 122.1013 53.8435 36.5452 172.0639 140 P 5.2328 0.0000 0.0000 63.3392 33.5317 176.7075 141 S 4.8046 9.1654 113.0724 57.4280 66.3579 173.2337 142 I 4.3301 8.3221 127.3236 60.2215 37.0880 175.7122 143 V 4.0261 8.4168 121.4500 63.4440 32.6426 176.0021 144 E 4.9266 8.2876 118.2822 55.3076 34.6019 174.1507 145 Q 5.0728 8.4351 117.6861 54.7953 31.7068 174.8248 146 S 4.4140 9.1505 116.6856 58.3824 63.6813 174.1078 147 L 4.2053 8.4051 119.6886 56.7045 42.1920 178.0444 148 V 3.7114 7.7435 119.5305 63.1459 32.1922 175.4307 149 K 5.1622 8.6617 127.0771 54.8495 34.7430 175.5259 150 L 4.7480 8.9513 121.6900 54.2031 44.3502 175.8578 151 K 4.8999 8.7095 120.9993 55.6508 32.1880 175.7595 152 L 4.8771 8.3239 124.5645 52.4877 45.5687 176.0368 153 I 4.4654 8.2525 122.0740 61.3001 37.8831 175.3007 154 E 4.7135 9.6208 126.2868 54.5949 33.5621 174.9511 155 G 4.4192 7.8830 107.0530 45.4889 0.0000 171.0093 156 C 4.5940 7.9629 116.5207 58.1159 34.1232 174.7568 157 L 4.0886 8.3700 124.7854 57.3676 41.7115 178.3381 158 S 4.5200 8.1296 113.2096 59.5285 63.5842 173.3793 159 F 4.6069 7.7112 119.4651 53.7613 38.8824 171.3367 160 P 4.2583 0.0000 0.0000 64.3576 31.8869 176.0642 161 G 4.1354 8.8436 109.4664 46.1838 0.0000 172.2218 162 I 4.4903 7.9886 119.5576 59.3092 38.6045 175.0936 163 E 5.1156 8.4460 123.9065 54.9305 33.3514 175.1852 164 G 4.1424 8.6760 107.4749 45.1218 0.0000 172.6477 165 K 4.8500 8.3292 120.6341 56.1288 33.0898 177.0024 166 V 4.4090 8.8581 124.0514 61.0580 35.1585 173.5702 167 E 4.9233 8.8234 128.6871 55.4105 30.4762 175.3308 168 R 4.8846 8.8592 125.3905 53.2707 34.9304 172.8196 169 P 4.5225 0.0000 0.0000 63.9083 31.1073 176.3065 170 S 4.1824 9.1293 117.8825 61.0525 62.7944 174.1604 171 I 4.7457 7.4499 120.7407 59.4618 39.8573 175.0426 172 V 4.7287 8.3129 118.6882 59.5575 35.4778 174.5143 173 S 4.9937 8.8945 120.6352 57.2711 63.9929 172.9059 174 I 5.2139 8.6368 119.4509 59.4501 41.6299 173.8013 175 S 5.5575 9.0988 116.4953 56.2953 66.6491 173.0248 176 Y 5.5156 7.5511 117.8928 57.1299 41.0301 172.0013 177 Y 5.1773 9.1688 115.7107 56.7777 42.6419 175.7489 178 D 5.0220 9.0761 123.5306 52.0260 40.9215 176.8842 179 I 3.8212 8.4015 119.0080 63.7329 37.6983 175.6255 180 N 4.7107 8.1988 114.8194 52.3780 39.5753 175.1424 181 G 2.4196 7.4827 104.3224 44.5770 0.0000 173.3370 182 Y 4.5207 8.0371 119.2636 56.6135 39.2184 175.4387 183 K 3.8984 8.6012 125.3179 56.9313 33.5158 175.4879 184 H 4.7445 8.2970 120.5632 54.1760 33.6300 172.1904 185 L 5.2021 8.3989 121.0932 52.9967 43.7434 175.7509 186 K 4.7417 8.9955 123.7985 54.8818 36.5744 174.6326 187 I 4.7560 8.3720 124.9223 59.6560 39.1325 174.9031 188 L 4.6586 8.6841 128.1566 53.2061 43.1846 176.1166 189 K 4.7006 8.9759 122.4736 54.5859 35.6339 177.0860 190 G 4.0380 8.7877 106.5317 45.5641 0.0000 176.5997 191 I 3.7341 8.2353 120.8653 63.9972 37.0704 177.6497 192 H 3.9934 7.9662 117.1311 58.7274 28.7825 177.3343 193 S 3.9833 7.9388 114.5063 61.5327 62.1716 175.8584 194 R 3.7859 7.5087 121.4322 59.1499 29.8500 178.1323 195 I 3.2901 7.9166 119.6352 64.3421 37.0921 177.7846 196 F 3.6010 7.2419 121.0245 61.6873 39.0045 177.3559 197 Q 4.2478 8.0219 116.6875 58.9903 27.8972 178.5469 198 H 4.0451 7.9791 119.4708 59.3862 29.7553 177.2920 199 E 4.0522 8.2384 119.4783 59.1534 29.5028 178.7884 200 F 4.2336 8.5645 121.1788 61.2707 39.3356 176.7217 201 D 4.1897 7.8757 118.3520 57.8704 40.5408 178.3823 202 H 3.9326 7.7192 115.5609 59.1697 28.8856 177.4892 203 L 4.1704 8.0396 119.6656 56.3624 40.9163 178.0429 204 N 4.7183 8.3746 116.9430 52.3002 38.9657 175.1208 205 G 4.3208 7.6681 104.2421 46.4227 0.0000 173.8377 206 T 4.4448 7.1280 115.8678 61.6021 69.8982 174.5016 207 L 4.8173 8.6094 125.7725 52.4492 44.7244 177.7389 208 F 4.2372 8.8109 115.8973 59.0933 38.0969 177.4671 209 I 3.2099 6.9420 114.2533 63.2599 37.6526 176.9985 210 D 4.3372 7.9532 120.9843 56.4615 41.2351 177.3243 211 K 4.2953 7.1855 119.2405 54.9643 31.1635 175.8358 *213 T 4.0761 7.2159 110.0634 61.0402 69.9961 175.6146 214 Q 3.9020 8.4997 123.1695 58.6283 28.7463 178.6880 215 V 3.8224 7.4498 118.2858 65.5708 32.0572 177.3047 216 D 4.2882 7.3675 115.9840 56.9926 40.7129 178.7403 217 K 3.9212 8.2641 120.6592 59.3343 32.2632 178.6721 218 K 3.8497 7.5982 119.1485 59.5323 31.9182 178.6404 219 K 4.0732 8.2648 118.8344 58.2825 32.4741 178.0260 220 V 4.2306 7.1747 117.4911 61.3686 31.7536 177.5341 221 R 3.8864 7.6826 120.0353 59.3532 29.9867 176.4888 222 P 4.2259 0.0000 0.0000 66.0933 31.3512 178.7860 223 K 4.1964 8.0206 116.2344 59.1664 32.0141 179.4395 224 L 4.1091 7.9011 119.1569 58.0010 41.5839 179.1265 225 N 4.3755 8.7116 116.7053 56.4494 38.4145 176.9334 226 E 3.9923 8.6775 120.2941 59.9173 29.6060 179.7707 227 L 4.0936 7.9983 118.5184 57.6206 41.6659 179.6109 228 I 3.6301 7.8133 119.9967 64.2492 36.9312 178.2733 229 R 3.9064 8.3136 119.8571 59.6385 29.7111 178.2029 230 D 4.3757 8.1954 117.4608 57.5283 40.9184 177.7386 231 Y 4.2094 7.9221 118.6997 60.8926 39.0058 178.1551 232 K 4.0122 8.2823 118.9031 59.0341 32.0085 179.0075 233 A 4.4899 7.5859 121.5301 52.4232 18.4620 178.5321 234 T 4.0362 7.7544 120.5778 66.2612 69.6453 176.0611 235 H 4.7108 7.7488 114.3580 55.2564 29.7099 173.6955 236 S 4.6249 7.8358 115.3063 57.4366 63.2530 174.0219 237 E 4.8191 8.9077 129.2310 54.4823 29.8945 175.8261 238 E 4.3027 7.8371 120.5710 56.9958 29.0613 175.4173 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 66 K 8.31 4.27 0.00 1.74 1.83 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.50 7.81 67 I 8.36 3.81 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.74 0.91 0.00 0.00 68 V 9.16 4.51 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 0.86 0.00 0.00 0.88 0.00 0.00 69 K 8.25 4.72 0.00 1.67 1.62 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.39 7.81 70 Y 8.34 4.10 0.00 1.53 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 0.00 0.00 0.00 0.00 71 P 0.00 4.08 0.00 1.54 0.58 0.00 2.78 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.37 0.00 72 D 7.55 3.78 0.00 2.60 2.46 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 73 P 0.00 4.35 0.00 2.23 2.24 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 74 I 7.98 3.64 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.30 0.92 0.00 0.00 75 L 8.00 4.30 0.00 2.05 1.74 0.92 0.78 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 76 R 7.68 4.61 0.00 1.89 1.91 0.00 3.41 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 77 R 7.51 4.34 0.00 1.86 1.84 0.00 3.14 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 78 R 8.28 4.28 0.00 1.79 1.83 0.00 3.23 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 79 S 8.30 4.52 0.00 3.99 3.77 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 80 E 8.90 4.77 0.00 1.86 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 2.21 2.24 0.00 81 E 8.87 4.36 0.00 1.82 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 2.33 2.58 0.00 82 V 9.02 3.65 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 0.06 0.00 0.00 0.81 0.00 0.00 83 T 8.29 4.30 4.22 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 1.17 0.00 0.00 84 N 7.79 4.72 0.00 2.65 2.86 0.00 0.00 6.83 7.45 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 85 F 8.76 4.63 0.00 2.89 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.45 5.14 0.00 2.78 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 87 D 8.68 4.55 0.00 2.80 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 88 N 8.30 4.19 0.00 2.82 2.92 0.00 0.00 6.82 6.66 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 89 L 8.14 3.91 0.00 1.72 1.82 0.78 0.96 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 90 K 8.27 3.94 0.00 2.02 1.89 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.54 7.81 91 R 8.00 3.95 0.00 1.99 2.00 0.00 3.14 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 92 V 7.47 3.57 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 0.77 0.00 0.00 0.94 0.00 0.00 93 V 7.92 3.72 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 1.05 0.00 0.00 1.04 0.00 0.00 94 R 8.33 4.24 0.00 2.19 2.05 0.00 3.31 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 95 K 8.09 3.95 0.00 2.08 1.77 0.00 1.62 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.55 7.81 *97 F 8.00 4.32 0.00 3.14 2.99 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 98 D 8.46 4.72 0.00 2.95 2.80 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 99 I 7.96 3.70 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 1.45 0.58 0.91 0.00 0.00 *101 Y 8.06 4.97 0.00 3.23 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 0.00 102 E 8.29 4.03 0.00 2.16 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 2.39 2.35 0.00 103 S 8.28 4.45 0.00 3.90 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 0.00 104 K 8.12 4.14 0.00 2.05 2.07 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.45 7.81 105 G 7.41 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.80 3.47 1.61 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.49 0.72 0.00 0.00 107 G 7.32 4.58 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 0.00 0.00 0.00 108 L 9.03 4.71 0.00 1.54 1.23 0.82 0.68 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 0.00 109 S 8.25 5.15 0.00 4.00 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 0.00 110 A 8.52 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 0.00 111 P 0.00 4.50 0.00 2.17 2.09 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 112 Q 7.94 4.06 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.96 0.00 0.00 0.00 0.00 0.00 2.20 2.07 0.00 113 V 7.42 4.55 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 0.64 0.00 0.00 0.93 0.00 0.00 114 N 7.87 4.08 0.00 2.82 2.81 0.00 0.00 6.78 8.09 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 0.00 115 I 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0.00 7.16 8.09 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 0.00 124 A 9.45 4.26 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 0.00 125 L 8.17 4.88 0.00 2.01 1.65 1.04 0.74 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 0.00 126 Y 8.09 4.79 0.00 3.50 3.46 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 0.00 127 E 7.74 3.68 0.00 1.81 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 1.74 2.06 0.00 128 K 6.78 4.48 0.00 1.73 1.69 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.30 7.81 129 R 6.41 3.11 0.00 1.31 0.66 0.00 3.08 0.00 0.00 2.90 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.37 0.00 130 K 8.62 4.05 0.00 2.04 1.63 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 1.26 7.81 131 E 8.48 4.36 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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7.74 3.71 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 1.06 0.00 0.00 0.93 0.00 0.00 149 K 8.66 5.16 0.00 1.66 1.69 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.41 7.81 150 L 8.95 4.75 0.00 1.63 1.68 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 151 K 8.71 4.90 0.00 1.65 1.82 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.72 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.45 7.81 152 L 8.32 4.88 0.00 1.56 1.50 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 153 I 8.25 4.47 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 1.34 0.34 0.92 0.00 0.00 154 E 9.62 4.71 0.00 1.95 1.60 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 2.13 2.39 0.00 155 G 7.88 4.42 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 0.00 156 C 7.96 4.59 0.00 2.11 2.75 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 0.00 157 L 8.37 4.09 0.00 1.62 1.68 0.89 0.79 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 0.00 158 S 8.13 4.52 0.00 4.00 3.71 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 0.00 159 F 7.71 4.61 0.00 3.12 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 0.00 160 P 0.00 4.26 0.00 2.09 2.09 0.00 3.86 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 161 G 8.84 4.14 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 0.00 162 I 7.99 4.49 2.10 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 0.80 0.00 0.00 163 E 8.45 5.12 0.00 1.82 1.83 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 2.24 2.32 0.00 164 G 8.68 4.14 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 0.00 165 K 8.33 4.85 0.00 1.86 1.74 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.67 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.38 7.81 166 V 8.86 4.41 2.31 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 1.01 0.00 0.00 1.10 0.00 0.00 167 E 8.82 4.92 0.00 2.00 1.83 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 2.24 2.32 0.00 168 R 8.86 4.88 0.00 1.74 1.93 0.00 3.20 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 169 P 0.00 4.52 0.00 2.06 2.22 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.01 0.00 170 S 9.13 4.18 0.00 3.82 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 0.00 171 I 7.45 4.75 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.73 0.89 0.00 0.00 172 V 8.31 4.73 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 0.66 0.00 0.00 0.69 0.00 0.00 173 S 8.89 4.99 0.00 3.83 3.77 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 0.00 174 I 8.64 5.21 1.69 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.65 0.14 0.00 0.00 175 S 9.10 5.56 0.00 3.81 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 0.00 176 Y 7.55 5.52 0.00 3.53 3.38 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 0.00 177 Y 9.17 5.18 0.00 3.33 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 D 9.08 5.02 0.00 3.01 2.93 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 0.00 179 I 8.40 3.82 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.77 0.99 0.00 0.00 180 N 8.20 4.71 0.00 3.06 2.85 0.00 0.00 7.10 7.65 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 0.00 181 G 7.48 2.42 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 0.00 182 Y 8.04 4.52 0.00 3.24 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 0.00 183 K 8.60 3.90 0.00 1.53 1.47 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.00 0.48 7.81 184 H 8.30 4.74 0.00 1.73 2.75 0.00 5.62 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 0.00 185 L 8.40 5.20 0.00 1.44 1.55 0.85 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 0.00 186 K 9.00 4.74 0.00 2.08 1.68 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.49 7.81 187 I 8.37 4.76 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.02 0.90 0.00 0.00 188 L 8.68 4.66 0.00 1.41 1.62 0.67 0.79 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 0.00 189 K 8.98 4.70 0.00 1.62 1.69 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.32 1.40 7.81 190 G 8.79 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 0.00 191 I 8.24 3.73 1.70 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.89 0.77 0.00 0.00 192 H 7.97 3.99 0.00 3.44 3.70 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 S 7.94 3.98 0.00 3.93 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 0.00 194 R 7.51 3.79 0.00 1.95 1.86 0.00 3.17 0.00 0.00 3.11 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 195 I 7.92 3.29 0.56 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.16 0.45 0.00 0.00 196 F 7.24 3.60 0.00 2.84 2.83 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 0.00 197 Q 8.02 4.25 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.60 0.00 0.00 0.00 0.00 0.00 2.51 2.66 0.00 198 H 7.98 4.05 0.00 3.17 3.32 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 0.00 199 E 8.24 4.05 0.00 1.93 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 2.48 2.47 0.00 200 F 8.56 4.23 0.00 2.36 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 0.00 201 D 7.88 4.19 0.00 2.77 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 0.00 202 H 7.72 3.93 0.00 3.39 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 L 8.04 4.17 0.00 1.56 1.60 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 204 N 8.37 4.72 0.00 2.55 2.62 0.00 0.00 6.75 8.85 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 0.00 205 G 7.67 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 0.00 0.00 0.00 0.00 206 T 7.13 4.44 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 1.27 0.00 0.00 207 L 8.61 4.82 0.00 1.79 1.60 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 208 F 8.81 4.24 0.00 3.10 2.99 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 0.00 209 I 6.94 3.21 1.48 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.40 -0.14 0.00 0.00 210 D 7.95 4.34 0.00 2.73 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 0.00 211 K 7.19 4.30 0.00 1.70 1.73 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.31 7.81 *213 T 7.22 4.08 4.20 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 1.18 0.00 0.00 214 Q 8.50 3.90 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 215 V 7.45 3.82 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 1.10 0.00 0.00 0.91 0.00 0.00 216 D 7.37 4.29 0.00 2.73 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 K 8.26 3.92 0.00 1.92 1.73 0.00 1.55 0.00 0.00 1.39 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.51 7.81 218 K 7.60 3.85 0.00 2.05 1.88 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.44 7.81 219 K 8.26 4.07 0.00 1.83 1.94 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.57 7.81 220 V 7.17 4.23 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 0.67 0.00 0.00 0.89 0.00 0.00 221 R 7.68 3.89 0.00 2.00 2.04 0.00 3.17 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 1.65 1.67 0.00 222 P 0.00 4.23 0.00 2.16 2.14 0.00 3.51 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 223 K 8.02 4.20 0.00 1.84 1.91 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.54 7.81 224 L 7.90 4.11 0.00 2.14 1.85 0.90 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 225 N 8.71 4.38 0.00 2.93 2.91 0.00 0.00 7.07 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 E 8.68 3.99 0.00 2.17 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 0.00 2.47 2.56 0.00 227 L 8.00 4.09 0.00 2.16 1.84 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 228 I 7.81 3.63 2.11 0.00 0.00 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 1.28 0.85 0.92 0.00 0.00 229 R 8.31 3.91 0.00 2.10 1.98 0.00 3.12 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 1.64 1.70 0.00 230 D 8.20 4.38 0.00 2.72 2.75 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 0.00 231 Y 7.92 4.21 0.00 2.92 3.10 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 0.00 232 K 8.28 4.01 0.00 2.00 1.84 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.64 7.81 233 A 7.59 4.49 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 0.00 234 T 7.75 4.04 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 0.73 0.00 0.00 235 H 7.75 4.71 0.00 3.06 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 S 7.84 4.62 0.00 3.91 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 0.00 237 E 8.91 4.82 0.00 1.88 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 238 E 7.84 4.30 0.00 2.02 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.