NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 59 P 4.3923 0.0000 0.0000 62.1077 33.7634 176.6839 60 S 3.9517 7.6336 116.6451 59.4835 62.6737 173.3866 61 L 4.3184 8.5617 128.4196 56.0194 43.8064 178.3738 62 A 4.0910 7.9485 120.7479 53.9527 18.4084 177.6096 63 Q 4.5002 7.5888 114.7501 55.9052 29.8142 176.7975 64 Q 4.0414 7.8971 117.6045 59.5380 29.1630 177.4483 65 R 4.1308 7.9491 118.6351 58.7235 30.3420 178.3588 66 A 4.0302 7.8915 120.0195 54.6144 18.1062 179.5746 67 R 3.8747 7.2883 116.1472 59.7261 30.4638 179.1735 68 R 4.1269 7.7836 116.3802 57.7131 29.9485 177.1730 69 A 4.4849 7.7930 122.2861 52.0261 18.3675 177.3314 70 Q 4.9568 7.5223 127.4989 57.4126 31.1508 172.8577 71 L 4.5091 7.5048 119.3959 53.8505 43.4923 173.5769 72 P 4.8375 0.0000 0.0000 60.6502 33.2653 173.5157 73 P 4.6404 0.0000 0.0000 62.6915 32.5601 175.2680 74 A 5.4573 8.7118 121.5314 51.9934 21.8788 175.3244 75 F 4.9905 8.3396 117.4710 55.3781 40.7817 174.4398 76 D 4.8018 8.6871 120.0903 52.6324 42.8682 176.9027 77 V 4.2260 7.9458 122.0177 60.5019 29.6666 175.2860 78 V 2.9112 7.2931 122.2680 63.1956 32.6807 175.4953 79 H 4.4313 6.6273 117.4153 54.1851 31.1728 174.1826 80 W 4.7831 7.6353 118.6169 57.7977 30.1720 176.3515 81 N 4.7131 8.4478 109.7211 53.6436 39.5280 174.6452 82 D 4.6461 8.4026 115.3492 55.4726 41.2835 177.0392 83 E 4.3811 8.0366 120.6452 57.1538 31.0229 175.7973 84 D 4.7093 7.9588 113.6648 54.2227 42.9255 175.8954 85 I 3.8033 7.4641 124.6453 64.2996 38.2290 178.2392 86 S 4.1472 8.3814 114.2249 61.6913 62.3659 175.4747 87 R 4.3867 8.1871 117.2881 55.7190 29.8781 176.0745 88 G 4.7753 8.8667 108.4115 45.0975 0.0000 173.1283 89 H 5.3639 8.8516 120.7667 53.8683 32.8303 172.2832 90 L 4.1137 7.2859 120.6352 53.2196 45.8455 174.5563 91 L 4.5602 7.3968 116.8841 54.4353 45.0574 173.1009 92 R 4.5398 8.6517 125.8100 54.6830 32.8195 176.8289 93 V 4.4816 8.0089 121.4830 59.8433 33.4835 173.9246 94 L 6.1127 8.1486 126.5496 53.1708 44.1827 174.5215 95 H 5.3975 8.7436 118.8667 55.1348 32.1001 174.5264 96 R 4.1865 8.6803 118.7668 57.2839 34.0562 175.2069 97 D 4.4909 9.8493 125.7205 55.5787 38.5023 172.8687 98 T 3.8632 8.0343 110.3433 61.9440 68.0448 172.9145 99 F 4.3077 8.0331 118.4411 58.4664 39.0188 174.6720 100 V 4.4874 7.8691 119.1766 63.4324 33.2720 173.7898 101 V 4.4790 8.7721 129.0171 61.2588 33.3927 175.6345 102 L 5.0512 8.5595 124.6670 54.4196 41.4074 176.5788 103 D 4.6978 8.0621 120.9808 53.7313 41.8843 175.9144 104 Y 4.3788 8.3811 125.0070 56.9267 39.3489 174.1527 105 H 4.9278 8.0814 123.8838 54.0935 32.1000 173.9060 106 R 4.7574 9.0453 117.2140 54.1477 32.4032 174.7934 107 Q 4.6418 9.7613 125.2227 56.5975 29.4638 176.0830 108 A 4.5030 9.2551 128.5554 52.1645 20.9686 176.9120 109 R 4.5929 7.5827 111.1959 56.3665 30.9901 177.8092 *111 L 4.0557 8.8652 128.9067 55.4590 43.1853 177.4414 112 T 4.0611 7.1612 111.5030 65.1596 68.7729 174.7201 113 E 4.1660 7.7960 121.3030 55.1823 30.1640 176.3445 114 E 4.1110 8.7623 123.6120 56.8285 28.8124 176.4705 115 G 3.8491 7.5830 114.6314 46.0165 0.0000 170.7462 116 N 4.7009 8.7129 121.3988 51.5856 39.3705 174.8634 117 K 3.9148 8.4839 123.8943 58.6775 33.3275 177.0696 118 A 4.9137 7.7703 121.2391 50.5114 20.4216 176.2359 119 E 4.4905 9.0690 123.9492 53.9857 32.3498 175.5459 120 R 3.8258 8.5302 127.4589 57.4524 30.4473 175.1479 121 V 4.4316 7.8642 116.6754 63.5586 38.2743 173.7985 122 V 4.5272 6.9820 110.0041 60.5430 37.0634 173.8402 123 S 4.4598 8.2968 112.5348 58.7761 66.6462 175.1658 124 V 4.6495 8.1440 128.6697 61.5619 34.6597 174.0645 *126 L 4.5304 8.3448 119.3921 54.3383 43.1495 175.4126 127 P 3.9006 0.0000 0.0000 61.3390 32.4206 177.3743 128 A 4.0581 8.4560 122.0771 55.6362 18.3481 180.2677 129 V 3.4908 7.8425 108.1144 65.1133 31.7017 177.8108 130 Y 4.3499 7.8382 116.4528 60.9671 37.2248 176.9211 131 T 3.9795 8.0413 115.8598 67.6396 68.4492 176.6667 132 A 4.5824 7.8063 124.8199 52.1551 19.0868 178.4982 133 R 4.3578 9.4259 120.6449 58.5716 34.0152 178.4259 134 F 3.6752 8.4858 116.6258 60.0443 38.6509 177.9304 135 L 3.8742 7.8763 118.1994 57.6807 41.4778 178.7615 136 A 3.8574 7.9661 120.2397 55.3530 17.8430 179.8403 137 V 3.7626 7.1498 116.8587 65.4280 31.7258 177.8359 138 L 3.3983 7.1563 117.1881 58.5533 41.5665 178.6421 139 E 3.9723 8.6972 116.3295 57.3541 29.4424 178.5928 140 G 5.1686 7.3731 124.2497 46.8339 0.0000 173.0391 141 R 4.0486 6.9635 119.9191 57.8599 30.8448 176.4016 142 S 4.1240 7.9617 111.9053 58.8922 63.2693 175.1783 143 E 4.3586 8.6214 127.2300 56.7393 30.0348 175.9683 144 K 4.6868 6.7789 115.8342 56.7535 35.6344 174.5755 145 V 4.5161 8.0106 122.1945 59.7211 34.2623 174.0944 146 E 5.0416 8.7309 121.3651 54.5060 32.3019 175.3455 147 V 4.3359 9.1278 116.3940 59.8747 34.7292 174.4977 148 H 5.3807 8.3217 120.4629 54.1516 32.3308 172.6419 149 S 4.5880 7.7031 113.4795 58.6387 65.6646 175.7805 150 R 4.4609 8.4239 121.9398 56.6558 29.9676 176.2924 151 Y 5.1072 7.9683 113.3290 58.8864 41.9636 175.5948 152 T 4.9848 7.9973 107.6662 60.1838 72.7109 172.5155 153 N 5.2487 9.2136 123.0731 52.0936 40.9725 172.9348 154 A 5.1193 8.8694 128.5556 50.5331 22.7754 174.9172 155 T 4.9921 8.5630 107.8086 60.5736 72.6050 172.6920 156 F 5.2640 8.7403 126.0573 56.9617 43.0409 173.6333 157 T 4.8014 8.6918 116.3044 60.8767 71.4418 170.7559 158 P 4.4742 0.0000 0.0000 63.0037 31.7847 175.0485 159 N 4.7796 8.0071 115.8547 50.7895 39.8272 172.6965 160 P 4.2052 0.0000 0.0000 65.2894 31.2365 177.5512 161 A 4.0627 7.8663 120.4663 54.3149 18.5721 176.9996 162 A 4.5695 7.4953 117.0774 50.1938 22.6093 174.4897 163 P 4.1314 0.0000 0.0000 63.6703 32.2762 177.4876 164 Y 3.9807 7.9230 117.9481 59.1124 36.9646 170.3717 165 T 4.4595 7.5191 108.6089 61.5408 69.8670 173.6514 166 F 4.7278 8.4124 118.9936 58.8459 43.7188 172.9551 167 T 4.4799 7.6206 109.1717 62.0886 71.4511 173.1320 168 L 5.4927 8.3032 129.4368 53.0266 41.6461 175.7180 169 K 4.2122 8.2988 126.7704 56.3401 33.9768 175.2427 170 C 4.8265 7.6938 117.5182 57.5294 33.1954 173.1912 171 T 4.4702 8.1472 114.0961 60.7998 71.1860 174.2996 172 S 5.0198 9.3185 118.6422 56.3116 66.5203 173.3974 173 T 4.8420 8.7570 116.8868 60.4751 68.2295 173.1275 174 R 4.5272 8.1948 128.0727 54.6241 31.5580 174.6152 175 P 4.4833 0.0000 0.0000 62.7641 29.9439 176.1184 *188 D 4.9312 7.9893 126.7080 53.7988 42.3722 175.7443 189 E 4.1678 8.2142 118.0253 56.0355 30.2810 177.0782 190 T 4.3223 8.5799 114.8786 61.6821 69.7740 173.3988 191 F 5.0115 9.3084 129.3071 56.3541 41.8186 173.5287 192 E 4.8134 8.2667 125.7570 54.3773 31.1383 175.5562 193 W 4.9112 7.8601 120.2119 55.3977 31.9622 173.8107 194 T 4.4383 8.3906 119.2955 61.8128 71.1825 173.2680 195 V 4.2138 8.5362 127.2884 62.0059 33.3448 174.5903 196 E 4.8052 8.6883 127.9713 54.8971 30.0021 175.4536 197 F 4.3634 8.8071 125.1337 57.4386 40.4170 175.5175 198 D 5.2388 8.4578 123.8784 52.0464 41.7519 176.1371 199 V 3.6424 8.7156 116.8576 66.9994 31.5662 179.0270 200 A 4.1365 7.9927 119.2176 54.6858 18.8106 178.6071 201 E 4.0775 8.5595 116.6945 59.8237 29.8744 179.2578 202 S 4.6178 8.5545 113.9404 61.5573 62.9856 176.2246 203 L 3.4182 7.6092 125.7281 55.2709 43.1339 178.6678 *205 L 4.4396 8.0938 120.3583 54.7075 43.5802 178.1102 206 Q 3.9452 7.8640 119.0237 59.4218 28.4411 178.4716 207 R 3.4042 8.1050 118.6908 59.2972 30.0977 178.5882 208 F 4.2071 8.1451 120.5426 60.8465 39.3474 176.6820 209 L 4.1768 9.1122 118.7674 58.5422 41.3785 180.0128 210 T 3.9094 8.6956 115.5133 66.8427 68.7176 176.4738 211 Q 4.1230 7.8516 118.9289 59.0708 28.4117 177.7919 212 A 3.8168 7.9771 121.1261 55.5482 16.7058 179.3098 213 L 4.0252 7.9864 115.2737 58.4537 41.7768 179.6572 214 H 4.2694 8.0921 116.4240 58.6203 29.9163 176.0623 215 Y 4.3658 8.9791 118.8636 59.6853 38.4382 178.6386 216 N 4.9065 7.4690 112.5394 53.5091 37.7646 176.3514 217 T 4.4961 8.6432 104.9361 62.0932 71.4021 173.9569 218 G 3.6473 8.5022 115.8598 43.4663 0.0000 176.1336 219 F 3.5040 8.0686 111.6192 59.2386 39.5233 176.6667 220 A 4.4481 10.0582 119.8891 52.4544 19.6879 177.1377 221 R 4.1307 7.8347 119.1376 56.6498 30.0839 176.4394 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 59 P 0.00 4.39 0.00 2.19 2.24 0.00 3.72 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 1.88 2.00 0.00 60 S 7.63 3.95 0.00 3.99 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.56 4.32 0.00 1.70 1.70 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.95 4.09 1.31 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 0.00 0.00 0.00 63 Q 7.59 4.50 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 64 Q 7.90 4.04 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 65 R 7.95 4.13 0.00 1.94 1.96 0.00 3.46 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 66 A 7.89 4.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 R 7.29 3.87 0.00 2.13 2.02 0.00 3.34 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 68 R 7.78 4.13 0.00 1.93 1.98 0.00 3.29 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 69 A 7.79 4.48 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 70 Q 7.52 4.96 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 71 L 7.50 4.51 0.00 1.76 1.55 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.84 0.00 2.37 2.05 0.00 3.83 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 1.96 1.99 0.00 73 P 0.00 4.64 0.00 2.08 1.99 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 74 A 8.71 5.46 1.19 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 0.00 0.00 75 F 8.34 4.99 0.00 3.17 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 76 D 8.69 4.80 0.00 2.48 2.44 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 77 V 7.95 4.23 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 0.48 0.00 0.00 0.87 0.00 0.00 78 V 7.29 2.91 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 0.03 0.00 0.00 0.73 0.00 0.00 79 H 6.63 4.43 0.00 2.87 2.85 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 80 W 7.64 4.78 0.00 3.29 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 81 N 8.45 4.71 0.00 2.78 2.73 0.00 0.00 6.90 8.49 0.00 0.00 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 D 8.40 4.65 0.00 2.71 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 83 E 8.04 4.38 0.00 1.91 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 2.27 2.29 0.00 84 D 7.96 4.71 0.00 2.76 2.50 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 85 I 7.46 3.80 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.61 0.94 0.00 0.00 86 S 8.38 4.15 0.00 4.03 4.07 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 87 R 8.19 4.39 0.00 1.89 2.06 0.00 3.18 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 88 G 8.87 4.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 H 8.85 5.36 0.00 2.83 3.33 0.00 5.22 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 90 L 7.29 4.11 0.00 1.24 1.34 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.40 4.56 0.00 1.62 1.25 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.65 4.54 0.00 1.64 1.69 0.00 3.02 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 93 V 8.01 4.48 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 0.00 0.00 0.77 0.00 0.00 0.37 0.00 0.00 94 L 8.15 6.11 0.00 1.93 1.76 0.94 0.80 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 95 H 8.74 5.40 0.00 3.28 3.29 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.68 4.19 0.00 1.89 1.74 0.00 3.28 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 97 D 9.85 4.49 0.00 2.73 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 98 T 8.03 3.86 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 1.29 0.00 0.00 99 F 8.03 4.31 0.00 3.22 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.87 4.49 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 0.73 0.00 0.00 1.18 0.00 0.00 101 V 8.77 4.48 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 1.02 0.00 0.00 1.00 0.00 0.00 102 L 8.56 5.05 0.00 1.68 1.83 0.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.06 4.70 0.00 2.67 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 0.00 104 Y 8.38 4.38 0.00 1.76 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 0.00 105 H 8.08 4.93 0.00 3.00 3.13 0.00 5.80 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 R 9.05 4.76 0.00 1.86 2.10 0.00 2.77 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.54 0.00 107 Q 9.76 4.64 0.00 2.51 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.20 0.00 108 A 9.26 4.50 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 0.00 109 R 7.58 4.59 0.00 1.62 1.11 0.00 3.17 0.00 0.00 3.17 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.75 0.00 *111 L 8.87 4.06 0.00 1.55 1.60 0.90 -0.10 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 0.00 0.00 0.00 112 T 7.16 4.06 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 0.00 113 E 7.80 4.17 0.00 1.87 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 2.25 2.27 0.00 114 E 8.76 4.11 0.00 1.92 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 2.28 2.27 0.00 115 G 7.58 3.85 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 0.00 0.00 0.00 116 N 8.71 4.70 0.00 2.66 2.74 0.00 0.00 6.78 7.61 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 0.00 117 K 8.48 3.91 0.00 1.20 0.74 0.00 1.31 0.00 0.00 1.56 0.00 0.00 2.68 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.84 1.27 7.81 118 A 7.77 4.91 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.07 4.49 0.00 1.99 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 2.13 2.17 0.00 120 R 8.53 3.83 0.00 1.70 1.72 0.00 3.20 0.00 0.00 3.05 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.24 0.00 121 V 7.86 4.43 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 0.32 0.00 0.00 0.98 0.00 0.00 122 V 6.98 4.53 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 0.78 0.00 0.00 0.69 0.00 0.00 123 S 8.30 4.46 0.00 3.69 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.14 4.65 2.27 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 1.12 0.00 0.00 1.24 0.00 0.00 *126 L 8.34 4.53 0.00 1.88 1.92 0.65 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 3.90 0.00 2.01 1.57 0.00 4.02 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.68 0.00 128 A 8.46 4.06 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.84 3.49 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 0.56 0.00 0.00 0.14 0.00 0.00 130 Y 7.84 4.35 0.00 3.26 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.04 3.98 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 1.30 0.00 0.00 132 A 7.81 4.58 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 9.43 4.36 0.00 1.94 1.75 0.00 3.12 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 134 F 8.49 3.68 0.00 3.00 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 0.00 135 L 7.88 3.87 0.00 1.69 1.69 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.97 3.86 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 7.15 3.76 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 1.09 0.00 0.00 0.76 0.00 0.00 138 L 7.16 3.40 0.00 1.64 1.56 0.82 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.70 3.97 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 140 G 7.37 5.17 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 0.00 141 R 6.96 4.05 0.00 1.80 1.84 0.00 3.38 0.00 0.00 3.15 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 142 S 7.96 4.12 0.00 3.75 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 0.00 143 E 8.62 4.36 0.00 1.95 1.95 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 2.27 2.37 0.00 144 K 6.78 4.69 0.00 1.73 1.75 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.18 1.19 7.81 145 V 8.01 4.52 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 0.11 0.00 0.00 0.46 0.00 0.00 146 E 8.73 5.04 0.00 1.84 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 2.10 2.25 0.00 147 V 9.13 4.34 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.89 0.00 0.00 148 H 8.32 5.38 0.00 3.06 3.17 0.00 5.76 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 S 7.70 4.59 0.00 4.09 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 0.00 150 R 8.42 4.46 0.00 1.60 1.36 0.00 3.29 0.00 0.00 2.99 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 151 Y 7.97 5.11 0.00 2.99 2.88 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 0.00 152 T 8.00 4.98 4.37 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 1.48 0.00 0.00 153 N 9.21 5.25 0.00 2.79 2.72 0.00 0.00 6.78 7.69 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 0.00 154 A 8.87 5.12 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 0.00 155 T 8.56 4.99 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 1.23 0.00 0.00 156 F 8.74 5.26 0.00 3.35 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 8.69 4.80 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 158 P 0.00 4.47 0.00 2.06 1.98 0.00 4.05 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 2.02 2.03 0.00 159 N 8.01 4.78 0.00 2.70 2.62 0.00 0.00 6.60 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 0.00 160 P 0.00 4.21 0.00 2.17 2.15 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 161 A 7.87 4.06 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 A 7.50 4.57 1.19 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 0.00 0.00 163 P 0.00 4.13 0.00 1.61 1.93 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.92 0.00 164 Y 7.92 3.98 0.00 3.22 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 0.00 165 T 7.52 4.46 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 166 F 8.41 4.73 0.00 2.97 2.88 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 0.00 167 T 7.62 4.48 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 1.28 0.00 0.00 168 L 8.30 5.49 0.00 1.77 1.21 1.19 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 169 K 8.30 4.21 0.00 1.76 1.59 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.29 7.81 170 C 7.69 4.83 0.00 2.61 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 T 8.15 4.47 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 1.13 0.00 0.00 172 S 9.32 5.02 0.00 4.27 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 0.00 173 T 8.76 4.84 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 1.25 0.00 0.00 174 R 8.19 4.53 0.00 1.94 1.94 0.00 3.21 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 175 P 0.00 4.48 0.00 2.16 2.12 0.00 3.94 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.17 0.00 *188 D 7.99 4.93 0.00 2.67 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 0.00 189 E 8.21 4.17 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 190 T 8.58 4.32 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 0.00 191 F 9.31 5.01 0.00 3.17 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 0.00 192 E 8.27 4.81 0.00 1.66 1.65 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 2.13 2.19 0.00 193 W 7.86 4.91 0.00 2.52 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 0.00 0.00 0.00 194 T 8.39 4.44 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 1.20 0.00 0.00 195 V 8.54 4.21 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 0.86 0.00 0.00 1.48 0.00 0.00 196 E 8.69 4.81 0.00 1.81 1.93 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 2.25 2.26 0.00 197 F 8.81 4.36 0.00 2.98 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 0.00 198 D 8.46 5.24 0.00 2.97 2.90 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 0.00 199 V 8.72 3.64 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 1.00 0.00 0.00 1.00 0.00 0.00 200 A 7.99 4.14 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 0.00 201 E 8.56 4.08 0.00 2.26 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 2.33 2.39 0.00 202 S 8.55 4.62 0.00 4.45 4.71 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 0.00 203 L 7.61 3.42 0.00 1.89 1.81 0.88 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 *205 L 8.09 4.44 0.00 2.07 1.78 0.77 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 206 Q 7.86 3.95 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.52 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 207 R 8.11 3.40 0.00 1.89 1.98 0.00 3.33 0.00 0.00 3.07 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.77 0.00 208 F 8.15 4.21 0.00 3.27 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.11 4.18 0.00 2.02 1.83 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 210 T 8.70 3.91 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 1.18 0.00 0.00 211 Q 7.85 4.12 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 212 A 7.98 3.82 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 L 7.99 4.03 0.00 1.91 1.84 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 214 H 8.09 4.27 0.00 3.00 3.33 0.00 5.93 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 Y 8.98 4.37 0.00 3.00 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 0.00 216 N 7.47 4.91 0.00 2.78 2.92 0.00 0.00 6.89 7.42 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 0.00 217 T 8.64 4.50 4.21 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 1.28 0.00 0.00 218 G 8.50 3.65 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 0.00 0.00 0.00 219 F 8.07 3.50 0.00 3.03 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 0.00 220 A 10.06 4.45 1.23 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 0.00 0.00 221 R 7.83 4.13 0.00 1.67 1.85 0.00 3.19 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.