NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 L 4.0335 8.1693 120.5864 54.4595 42.8869 176.0520 19 E 4.4062 7.9313 120.6926 53.9695 31.3589 174.4045 20 D 4.8960 8.9915 120.1783 54.1373 42.4506 178.2131 21 G 4.0394 7.9936 110.4544 45.3629 0.0000 170.2850 22 A 5.3090 7.9352 121.1929 50.7866 20.4337 176.4443 23 Y 4.7239 9.3360 119.5195 56.1550 41.9564 175.3910 24 R 4.8285 8.6326 120.6271 55.7307 32.1041 175.8941 25 I 4.4680 8.8260 123.1604 59.6563 39.4380 174.7651 26 K 5.1288 8.6727 126.2770 54.5322 35.1155 175.2432 27 Q 4.6564 9.1926 126.3150 54.2558 30.9024 174.4796 28 K 3.7705 8.7641 128.2583 56.1919 33.4502 176.0068 29 G 4.1108 8.4229 114.3767 44.0756 0.0000 172.9570 30 I 3.7221 8.2346 111.4439 63.2495 37.6254 176.6996 31 L 4.2288 7.5966 118.9136 54.2883 42.3135 175.0672 32 G 3.7083 7.5420 104.9457 44.2060 0.0000 172.6394 33 Y 4.7436 8.3764 116.2571 57.5861 39.0855 174.8450 34 S 4.8541 8.7556 119.2980 56.6394 66.0200 173.1752 35 Q 4.7889 8.8400 126.4016 56.0900 28.6576 175.2630 36 I 4.1366 8.5377 120.9224 61.4799 39.0174 176.6021 37 G 4.4474 7.5805 109.5403 45.7236 0.0000 170.8259 38 A 5.0249 7.9022 121.9081 51.6794 23.7391 175.5915 39 G 4.1072 8.7191 104.8613 45.1511 0.0000 172.2748 40 V 5.0398 7.7438 119.3701 61.1496 34.6286 173.8587 41 Y 5.0949 9.3967 129.7210 56.1732 40.7343 174.2118 42 K 4.8079 8.6661 127.5762 55.6925 36.2630 175.6486 43 E 3.8947 9.3320 126.8824 57.4737 27.5446 175.9083 44 G 4.4603 8.1260 105.0455 45.1187 0.0000 173.6804 45 T 4.7807 6.9413 116.3018 61.4508 72.1384 172.5971 46 F 5.1064 8.9643 127.8802 56.9760 41.6391 173.9683 47 H 5.1512 8.0205 122.9489 54.4752 31.8914 173.0770 48 T 4.6493 8.8414 116.4372 61.9410 71.1408 171.6631 49 M 5.1197 8.6451 119.6446 53.9059 33.8452 176.8439 50 W 4.3434 8.9992 133.1864 61.1394 30.6525 178.2930 51 H 4.2577 8.6162 113.5878 58.1720 27.9172 177.6629 52 V 3.6236 7.1982 120.8246 65.7084 31.7235 177.2196 53 T 4.3189 7.6686 107.2899 60.4785 69.7905 174.8577 54 R 2.0000 8.5682 119.2301 56.2692 28.1538 177.1951 55 G 3.9681 7.6706 104.7938 44.9010 0.0000 174.7259 56 A 4.1212 7.5490 122.7743 51.9002 18.9478 177.7714 57 V 4.1350 8.3548 121.3066 63.3513 32.4236 175.2167 58 L 4.8170 8.7490 126.2774 53.2220 44.8134 175.2010 59 M 5.1837 8.3591 119.9583 53.8639 35.5916 174.9908 60 H 4.5050 9.0406 121.8873 55.0349 32.2197 173.4507 61 K 3.8322 9.6198 128.3938 57.5080 29.3978 176.4411 62 G 3.8744 8.3343 104.9901 45.1339 0.0000 173.3370 63 K 4.3955 7.7342 121.9958 54.4398 33.4264 175.1535 64 R 4.7571 8.4423 127.1805 56.0683 31.2034 175.3133 65 I 4.7936 8.9923 118.9572 59.2395 40.9887 174.0054 66 E 5.3456 8.8073 124.1344 53.5872 32.5558 173.7390 67 P 3.7504 0.0000 0.0000 63.1186 31.8417 176.0570 68 S 4.7564 8.9102 117.0875 59.2275 65.6431 174.3167 69 W 5.1986 7.8070 128.2326 56.1868 34.2348 173.5083 70 A 4.2956 7.3229 125.8990 50.1300 22.3832 175.4631 71 D 3.8968 7.9403 119.1586 51.9613 43.0185 176.4122 72 V 3.0509 7.8906 128.9795 65.9977 31.8768 179.0334 73 K 3.9208 7.8737 119.8793 57.1741 31.5341 179.5091 74 K 4.2409 7.6945 115.2520 55.8133 32.6316 175.8553 75 D 4.5560 7.9623 118.2252 55.6363 40.0544 172.5596 76 L 5.5182 7.8499 116.0244 52.9057 45.8412 176.1688 77 I 5.3533 9.2562 121.6222 59.7665 42.0710 173.6841 78 S 5.6277 10.0062 123.1659 56.8899 66.6773 172.2376 79 Y 4.8862 9.1346 119.4374 56.4073 40.7610 176.2183 80 G 4.0352 8.9497 113.4988 45.6701 0.0000 172.2302 81 G 4.3118 6.8117 102.8923 43.3479 0.0000 173.2835 82 G 3.7937 7.9382 110.3296 43.6396 0.0000 173.2581 83 W 3.9951 8.1492 129.0988 57.7605 30.6293 175.5109 84 K 4.3539 8.0423 123.6401 56.2513 33.2777 176.6471 85 L 3.9748 6.8768 119.6600 54.5289 41.8880 176.4415 86 E 4.6530 8.5643 118.9243 55.5030 30.7652 176.5106 87 G 3.7827 8.0577 110.1220 45.8059 0.0000 172.6778 88 E 4.8979 8.4864 120.9332 53.9396 32.4707 175.5397 89 W 4.5529 9.0493 135.0000 57.2588 32.0603 175.9361 90 K 4.0235 7.2985 124.6434 51.6159 34.8037 175.5493 91 E 3.2609 7.7733 122.1583 57.5153 29.7311 176.6417 92 G 4.1248 9.1832 113.4028 45.6170 0.0000 173.6763 93 E 4.3671 7.5350 118.7248 55.8974 30.3218 176.0252 94 E 4.8238 8.6104 121.8829 55.9475 31.3396 175.4975 95 V 4.7963 8.8354 114.7275 59.8696 36.8288 174.1665 96 Q 5.0825 8.9860 119.8824 54.2813 32.0473 175.3886 97 V 4.0873 8.7313 124.4799 62.2527 32.7184 175.2431 98 L 4.8595 8.5269 129.9509 53.5247 40.5509 174.6553 99 A 3.7294 8.6339 124.7243 51.3548 19.8994 176.5322 100 L 4.5839 8.5201 123.7880 53.1191 42.5241 175.5887 101 E 4.4044 8.2699 122.9654 54.0395 31.0043 174.5920 102 P 4.4864 0.0000 0.0000 64.5767 31.6694 177.0445 103 G 3.9914 9.0258 110.0270 45.5267 0.0000 173.1750 104 K 4.6440 7.7746 118.0464 53.9553 35.4559 176.1186 105 N 4.5256 8.6134 119.8060 52.3169 39.1835 173.0545 106 P 4.6204 0.0000 0.0000 63.5481 32.1177 175.6386 107 R 4.6750 8.6660 121.3209 54.7364 33.8677 173.3083 108 A 4.9166 8.6493 127.8442 50.9144 20.3162 176.4452 109 V 4.3677 8.6340 122.7009 60.9522 34.3471 174.4526 110 Q 4.7349 8.8251 129.6714 56.4229 29.8646 174.6400 111 T 4.6847 9.1294 119.4440 60.9044 71.7198 172.4026 112 K 4.6877 8.4909 127.2116 53.9823 32.6776 174.3548 113 P 4.4771 0.0000 0.0000 62.7362 32.0928 175.8380 114 G 4.2177 9.0336 108.3815 44.4026 0.0000 171.9105 115 L 5.1930 8.1874 120.2495 53.6403 43.0412 176.4453 116 F 4.8937 9.5934 121.9240 55.4107 43.2458 174.5947 117 K 4.8153 8.7376 121.8446 56.5878 33.4322 176.2759 118 T 4.9342 8.1458 113.0324 59.8186 72.2088 173.7449 119 N 4.4887 8.7532 118.6265 56.5612 38.7349 177.1457 120 T 4.1528 8.0863 107.5435 64.1743 70.9881 174.4972 121 G 3.9418 8.6311 115.6765 45.1921 0.0000 174.9068 122 T 5.0357 9.0869 112.9002 62.2708 73.2866 173.5762 123 I 4.9311 9.3979 119.0290 59.1046 41.7781 174.3458 124 G 4.4981 9.0686 110.7061 45.5612 0.0000 172.6667 125 A 5.0467 8.8290 123.5413 50.8177 23.2720 175.7196 126 V 4.6812 8.3147 112.9715 59.2516 35.0535 175.5344 127 S 4.4090 8.5620 116.8886 58.4297 63.1149 174.8349 128 L 4.6722 8.4630 126.3807 53.9956 39.8107 176.0436 129 D 4.7638 8.4073 118.0964 53.4650 41.6562 175.6443 130 F 4.9222 7.7811 116.9213 55.0141 43.1161 174.4992 131 S 4.2732 9.4050 116.6728 58.1250 62.7502 173.5108 132 P 4.3760 0.0000 0.0000 65.6160 31.4368 178.2583 133 G 3.8990 8.3332 106.0006 47.2394 0.0000 175.1693 134 T 4.4708 8.1776 116.5312 64.3074 69.1240 174.8891 135 S 4.6608 8.0423 118.8536 60.6214 63.2585 175.3742 136 G 4.7684 9.4130 113.3756 46.2813 0.0000 173.6936 137 S 4.5345 8.2470 116.7129 57.8313 64.1010 172.1334 138 P 4.9001 0.0000 0.0000 62.7840 33.1863 174.9319 139 I 4.8268 8.7399 123.2445 59.9607 39.2731 175.0192 140 V 5.0317 8.9595 121.2472 59.6250 35.0596 175.6565 141 D 5.0868 8.7536 123.8663 51.9927 41.7964 177.2021 142 K 4.0561 8.7794 116.7798 58.7815 32.0455 178.1373 143 K 4.2040 8.2710 116.6685 55.9894 32.3270 177.3779 144 G 3.9174 8.3386 107.4709 45.7413 0.0000 173.9766 145 K 4.2850 8.1412 119.2044 55.0098 33.5103 176.3125 146 V 4.4044 8.0762 121.6880 62.1382 31.5382 177.0275 147 V 4.0765 8.2067 121.4533 61.9389 32.1198 175.8917 148 G 4.1512 7.0400 105.2312 46.2425 0.0000 171.6540 149 L 5.4051 8.5420 118.9182 52.5864 44.6633 176.5761 150 Y 3.9376 9.0700 124.8016 58.8232 39.9254 176.4965 151 G 3.7585 7.9677 113.9394 46.1280 0.0000 173.9293 152 N 4.5984 7.7955 120.5029 51.9163 38.4660 172.5093 153 G 3.9944 8.2273 110.4568 45.7187 0.0000 170.4993 154 V 4.8093 8.8197 119.1156 59.3252 36.0229 175.0103 155 V 4.5201 8.2609 123.2594 60.7279 32.8961 176.1821 156 T 4.4180 8.7937 118.2823 60.7498 70.3110 176.5701 157 R 3.9792 8.4443 120.3243 59.1658 29.2935 176.5327 158 S 4.3115 7.9908 109.6829 59.1778 63.4412 174.7368 159 G 3.6549 8.0803 109.2790 45.7316 0.0000 172.9828 160 A 4.5555 7.4765 120.3627 50.4771 21.1992 176.6219 161 Y 4.9164 8.3865 117.8907 57.0027 39.4627 175.4353 162 V 4.3756 8.4934 116.0423 59.6911 37.1482 174.5595 163 S 4.8364 8.8486 116.8960 56.5868 62.8095 172.9790 164 A 4.7181 8.7256 130.3300 52.0177 18.2662 176.9296 165 I 4.5851 8.8751 113.4143 60.8612 39.9571 175.5759 166 A 4.7192 7.8535 122.6885 50.9350 22.6635 176.2378 167 N 4.5449 8.7741 117.2462 53.4469 38.9421 175.1859 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 18 L 8.17 4.03 0.00 0.29 0.29 0.74 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.93 4.41 0.00 2.11 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 2.26 2.37 0.00 20 D 8.99 4.90 0.00 2.77 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 21 G 7.99 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 22 A 7.94 5.31 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 23 Y 9.34 4.72 0.00 3.19 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 24 R 8.63 4.83 0.00 1.69 1.87 0.00 3.13 0.00 0.00 3.40 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 25 I 8.83 4.47 1.93 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.99 0.91 0.00 0.00 26 K 8.67 5.13 0.00 1.44 1.77 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.37 7.81 27 Q 9.19 4.66 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 28 K 8.76 3.77 0.00 1.41 1.51 0.00 1.47 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.13 0.74 7.81 29 G 8.42 4.11 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 0.00 0.00 0.00 30 I 8.23 3.72 1.83 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 1.38 0.60 0.87 0.00 0.00 31 L 7.60 4.23 0.00 1.63 1.72 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.54 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 0.00 0.00 0.00 33 Y 8.38 4.74 0.00 3.00 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 34 S 8.76 4.85 0.00 3.77 3.76 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 35 Q 8.84 4.79 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 36 I 8.54 4.14 1.89 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 1.28 0.79 0.99 0.00 0.00 37 G 7.58 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 0.00 0.00 0.00 0.00 38 A 7.90 5.02 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 39 G 8.72 4.11 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 0.00 0.00 0.00 40 V 7.74 5.04 1.86 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 0.95 0.00 0.00 0.89 0.00 0.00 41 Y 9.40 5.09 0.00 2.98 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 42 K 8.67 4.81 0.00 1.69 1.37 0.00 1.73 0.00 0.00 1.47 0.00 0.00 2.76 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.21 1.35 7.81 43 E 9.33 3.89 0.00 2.05 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 0.00 2.22 2.18 0.00 44 G 8.13 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 0.00 0.00 0.00 0.00 45 T 6.94 4.78 4.06 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 1.04 0.00 0.00 46 F 8.96 5.11 0.00 3.24 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 47 H 8.02 5.15 0.00 2.62 2.48 0.00 5.87 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.84 4.65 4.11 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 1.46 0.00 0.00 49 M 8.65 5.12 0.00 2.39 1.84 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 50 W 9.00 4.34 0.00 3.43 3.33 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 51 H 8.62 4.26 0.00 3.36 3.65 0.00 5.61 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.20 3.62 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 0.94 0.00 0.00 0.80 0.00 0.00 53 T 7.67 4.32 4.30 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 1.26 0.00 0.00 54 R 8.57 2.00 0.00 1.58 1.56 0.00 3.05 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.25 0.00 55 G 7.67 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 56 A 7.55 4.12 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.35 4.14 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 0.90 0.00 0.00 1.01 0.00 0.00 58 L 8.75 4.82 0.00 1.26 1.17 -0.02 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 59 M 8.36 5.18 0.00 1.81 1.89 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 60 H 9.04 4.50 0.00 2.78 2.95 0.00 5.73 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 9.62 3.83 0.00 1.69 1.71 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.15 0.86 7.81 62 G 8.33 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 63 K 7.73 4.40 0.00 1.77 1.79 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.34 7.81 64 R 8.44 4.76 0.00 1.87 1.82 0.00 3.43 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 65 I 8.99 4.79 2.03 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 1.11 0.73 0.93 0.00 0.00 66 E 8.81 5.35 0.00 2.00 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 0.00 2.39 2.34 0.00 67 P 0.00 3.75 0.00 2.00 1.54 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.23 0.00 68 S 8.91 4.76 0.00 4.00 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 69 W 7.81 5.20 0.00 3.42 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 70 A 7.32 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 7.94 3.90 0.00 2.04 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 0.00 0.00 0.00 0.00 72 V 7.89 3.05 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 -0.48 0.00 0.00 73 K 7.87 3.92 0.00 1.81 1.72 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.04 7.81 74 K 7.69 4.24 0.00 1.63 1.81 0.00 1.95 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.39 7.81 75 D 7.96 4.56 0.00 3.09 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 76 L 7.85 5.52 0.00 1.43 1.24 0.39 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 I 9.26 5.35 2.25 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.62 1.35 0.00 0.00 78 S 10.01 5.63 0.00 3.90 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 0.00 79 Y 9.13 4.89 0.00 3.10 3.01 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 80 G 8.95 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 81 G 6.81 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 0.00 0.00 0.00 0.00 82 G 7.94 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 83 W 8.15 4.00 0.00 2.66 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 84 K 8.04 4.35 0.00 1.54 1.83 0.00 1.94 0.00 0.00 1.62 0.00 0.00 3.08 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.39 7.81 85 L 6.88 3.97 0.00 1.63 1.69 0.69 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.56 4.65 0.00 2.03 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 2.13 2.25 0.00 87 G 8.06 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 0.00 0.00 0.00 88 E 8.49 4.90 0.00 1.94 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 2.26 2.47 0.00 89 W 9.05 4.55 0.00 3.29 3.23 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 90 K 7.30 4.02 0.00 1.62 1.59 0.00 1.89 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.25 1.20 7.81 91 E 7.77 3.26 0.00 1.64 1.66 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 2.24 2.34 0.00 92 G 9.18 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 0.00 0.00 0.00 0.00 93 E 7.54 4.37 0.00 2.09 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 2.31 2.16 0.00 94 E 8.61 4.82 0.00 1.93 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 0.00 2.38 2.41 0.00 95 V 8.84 4.80 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 0.90 0.00 0.00 0.95 0.00 0.00 96 Q 8.99 5.08 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 97 V 8.73 4.09 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 0.39 0.00 0.00 1.02 0.00 0.00 98 L 8.53 4.86 0.00 1.51 1.56 0.91 1.02 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 99 A 8.63 3.73 0.48 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 0.00 0.00 100 L 8.52 4.58 0.00 1.59 1.59 0.97 0.64 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 0.00 101 E 8.27 4.40 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 102 P 0.00 4.49 0.00 2.06 2.05 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 2.07 2.14 0.00 103 G 9.03 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 0.00 0.00 0.00 104 K 7.77 4.64 0.00 1.73 1.68 0.00 1.90 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.54 7.81 105 N 8.61 4.53 0.00 2.70 2.74 0.00 0.00 7.00 8.02 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 0.00 106 P 0.00 4.62 0.00 2.03 2.01 0.00 3.69 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 107 R 8.67 4.67 0.00 1.89 1.75 0.00 3.17 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 108 A 8.65 4.92 1.27 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 0.00 109 V 8.63 4.37 2.35 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 1.14 0.00 0.00 1.15 0.00 0.00 110 Q 8.83 4.73 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.52 0.00 0.00 0.00 0.00 0.00 2.54 2.65 0.00 111 T 9.13 4.68 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 1.27 0.00 0.00 112 K 8.49 4.69 0.00 2.00 1.79 0.00 2.07 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.80 7.81 113 P 0.00 4.48 0.00 0.49 1.29 0.00 3.95 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.70 0.00 114 G 9.03 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 0.00 0.00 0.00 0.00 115 L 8.19 5.19 0.00 1.50 1.64 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 116 F 9.59 4.89 0.00 2.96 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 0.00 117 K 8.74 4.82 0.00 1.80 1.75 0.00 1.51 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.52 7.81 118 T 8.15 4.93 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 1.25 0.00 0.00 119 N 8.75 4.49 0.00 2.73 2.92 0.00 0.00 6.90 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.09 4.15 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 1.20 0.00 0.00 121 G 8.63 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 0.00 0.00 0.00 122 T 9.09 5.04 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 0.00 123 I 9.40 4.93 2.01 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 1.37 1.14 0.96 0.00 0.00 124 G 9.07 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 0.00 0.00 0.00 125 A 8.83 5.05 1.15 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 0.00 0.00 126 V 8.31 4.68 2.17 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 0.60 0.00 0.00 1.08 0.00 0.00 127 S 8.56 4.41 0.00 3.93 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 0.00 128 L 8.46 4.67 0.00 1.72 1.70 0.91 0.81 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 0.00 129 D 8.41 4.76 0.00 2.09 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 0.00 130 F 7.78 4.92 0.00 2.35 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 0.00 131 S 9.41 4.27 0.00 3.85 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 0.00 132 P 0.00 4.38 0.00 2.27 2.15 0.00 3.70 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 2.14 2.14 0.00 133 G 8.33 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 T 8.18 4.47 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 0.87 0.00 0.00 135 S 8.04 4.66 0.00 4.05 3.92 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 0.00 136 G 9.41 4.77 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 0.00 0.00 0.00 137 S 8.25 4.53 0.00 3.77 3.93 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 0.00 138 P 0.00 4.90 0.00 2.11 2.16 0.00 3.82 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 2.05 2.00 0.00 139 I 8.74 4.83 2.02 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 1.29 0.72 0.97 0.00 0.00 140 V 8.96 5.03 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 0.79 0.00 0.00 1.01 0.00 0.00 141 D 8.75 5.09 0.00 2.86 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 0.00 142 K 8.78 4.06 0.00 1.80 1.94 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.51 7.81 143 K 8.27 4.20 0.00 1.93 1.85 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.44 7.81 144 G 8.34 3.92 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 0.00 0.00 0.00 145 K 8.14 4.28 0.00 2.13 1.81 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.52 7.81 146 V 8.08 4.40 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.90 0.00 0.00 147 V 8.21 4.08 2.26 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 1.07 0.00 0.00 1.07 0.00 0.00 148 G 7.04 4.15 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 0.00 0.00 0.00 149 L 8.54 5.41 0.00 1.65 1.66 1.14 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 150 Y 9.07 3.94 0.00 3.06 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 G 7.97 3.76 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 0.00 0.00 0.00 152 N 7.80 4.60 0.00 2.87 2.69 0.00 0.00 7.01 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 0.00 153 G 8.23 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 0.00 0.00 0.00 154 V 8.82 4.81 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 0.89 0.00 0.00 0.91 0.00 0.00 155 V 8.26 4.52 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 0.66 0.00 0.00 0.56 0.00 0.00 156 T 8.79 4.42 4.43 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 157 R 8.44 3.98 0.00 1.87 1.89 0.00 3.26 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 1.58 1.44 0.00 158 S 7.99 4.31 0.00 3.99 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 0.00 159 G 8.08 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 0.00 160 A 7.48 4.56 1.17 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 0.00 161 Y 8.39 4.92 0.00 2.77 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 0.00 162 V 8.49 4.38 1.67 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 -0.12 0.00 0.00 0.53 0.00 0.00 163 S 8.85 4.84 0.00 3.59 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 0.00 164 A 8.73 4.72 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 I 8.88 4.59 1.87 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.69 0.86 0.00 0.00 166 A 7.85 4.72 1.47 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 0.00 0.00 0.00 167 N 8.77 4.54 0.00 3.01 2.75 0.00 0.00 6.83 7.56 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