NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.3769 8.3344 115.2961 58.3130 64.2135 174.1558 0 H 4.3803 8.4809 127.0424 55.0734 27.0032 172.3931 2 L 4.5236 8.2287 124.7333 55.4247 49.8100 176.3208 3 I 4.6256 7.6053 119.0224 59.3110 41.1393 174.4470 4 Q 4.7997 9.0644 125.0751 54.2610 32.3477 174.0218 5 L 4.9271 9.0538 125.4509 52.9199 44.3826 175.2229 6 D 4.8496 8.9852 124.3793 52.1736 42.6597 176.1265 7 Q 3.5544 8.6716 129.4194 56.7734 27.2586 174.1573 8 I 4.2855 8.0385 111.2830 60.8011 39.7873 176.3764 9 G 4.5989 8.6838 110.1135 43.5370 0.0000 171.2361 10 R 5.2968 8.5532 119.6684 53.1131 34.7494 173.8450 *12 K 4.2032 8.3797 121.5909 57.5058 33.0354 175.6084 13 Q 3.3394 9.9017 125.6852 57.0587 26.2961 174.8660 14 G 3.9735 8.4830 103.8367 45.2154 0.0000 173.6987 15 K 4.5581 7.7139 118.8555 54.5513 34.3590 176.0096 16 T 4.2305 8.3777 119.6801 63.3242 69.0270 174.3618 17 I 4.1940 9.0666 128.0705 62.4195 38.5134 176.0250 18 L 5.0810 7.5417 118.5987 52.6557 44.9552 175.4713 19 K 4.6688 8.7254 122.8941 55.8094 35.0917 176.3933 20 K 3.7678 8.6520 126.5646 57.4840 29.7459 175.5632 21 I 4.2253 7.7908 119.4364 60.5768 38.7014 176.4039 22 S 5.2958 8.5465 123.3043 56.4634 65.4074 173.7505 23 W 5.1799 9.1910 134.0552 56.4178 34.4377 172.9323 24 Q 5.0194 9.0288 125.9575 54.1504 30.9797 174.7551 25 I 4.6758 8.6915 125.2519 59.4405 39.8322 174.9140 26 A 5.1603 9.4483 128.7995 49.3907 22.4450 175.8430 27 K 3.9716 8.4915 119.3621 58.2968 32.4230 178.2861 28 G 4.2646 8.8838 111.0688 44.9613 0.0000 173.4552 29 D 4.4491 8.0101 120.7452 54.3854 42.3724 175.7105 30 K 4.5094 8.5167 121.8463 54.6175 34.8662 174.6832 31 W 5.4094 9.1218 125.3524 55.1010 31.9432 175.3181 32 I 4.9265 9.4313 125.6840 60.3089 38.7440 174.4775 33 L 5.0110 9.2546 129.9249 53.8533 43.5879 174.1588 34 Y 5.3576 7.9312 128.2122 54.7915 41.5057 174.6522 35 G 4.2883 7.4261 111.1845 45.6430 0.0000 172.8706 36 L 4.1986 8.0250 120.6563 54.0300 42.3700 176.7172 37 N 4.2331 8.3046 117.7047 55.3388 38.7107 175.8543 38 G 3.8758 8.9437 110.0138 45.4775 0.0000 174.0436 39 A 3.9902 7.7154 123.3008 53.2708 18.8407 179.5625 40 G 4.3318 8.3673 104.1507 45.3925 0.0000 175.6581 41 K 3.9630 8.3096 120.6485 59.6989 31.9911 179.1468 42 T 3.9397 7.9152 115.3892 67.0565 68.5496 176.5882 43 T 3.8849 7.9110 117.0923 66.5775 68.5702 176.2828 44 L 4.0438 8.0942 122.2471 58.1216 42.0390 178.9832 45 L 4.0379 8.2699 119.1272 57.8901 41.4778 179.1743 46 N 4.4976 8.5277 116.6050 56.3452 38.4216 177.6067 47 I 4.2106 7.5490 122.1589 63.9238 37.0538 178.3564 48 L 3.9451 7.5960 118.3842 57.5847 41.5084 178.4560 49 N 4.4225 8.1683 113.3672 52.0315 38.6168 174.8167 50 A 3.8257 7.4646 121.8567 53.3605 16.9241 178.7108 51 Y 4.4980 8.0152 119.2015 61.4738 38.4836 176.4244 52 E 4.8054 7.9883 118.0863 53.6788 33.0062 173.2935 53 P 4.7240 0.0000 0.0000 61.4621 32.8602 175.7885 54 A 4.2550 8.3036 122.9751 52.6454 18.9506 177.8226 55 T 4.3349 8.9177 110.8774 62.2874 69.7692 174.5203 56 S 4.4962 7.7396 115.7495 58.2218 65.8109 174.3194 57 G 4.0311 8.8328 108.8858 45.4355 0.0000 172.3479 58 T 4.6827 8.1350 107.4633 59.6913 71.9905 173.2352 59 V 4.4934 8.2991 123.0513 61.0879 34.1962 173.9684 60 N 4.9165 9.1730 126.6359 51.9680 41.8182 173.1072 61 L 4.3528 8.7759 127.9477 52.5702 43.7651 177.1518 62 F 3.8995 8.9481 126.4965 58.5799 36.8378 177.1524 63 G 3.9131 8.3970 105.5496 45.5477 0.0000 172.9560 64 K 4.6010 7.5458 118.5863 53.6329 35.2905 173.0100 *66 P 3.5833 0.0000 0.0000 62.4734 32.5329 177.7906 67 G 4.0581 8.1775 110.5867 44.2231 0.0000 171.5848 68 K 4.2926 7.3878 120.2707 55.1858 33.8394 177.1936 69 V 3.7752 8.0749 119.8640 64.7967 31.5298 176.2526 70 G 3.9796 8.9758 114.8553 45.4217 0.0000 172.6559 71 Y 4.2234 7.6272 121.2367 57.2218 39.6489 175.2383 72 S 4.2100 7.1530 117.8318 55.9267 66.4521 175.3103 73 A 3.7177 8.3084 130.9146 55.2337 17.7668 179.2938 74 E 3.7999 7.9619 117.1955 59.8108 29.4968 179.1305 75 T 3.8338 7.3588 114.5315 66.2594 68.7419 176.5646 76 V 3.8027 7.5809 120.2683 66.3276 31.6199 178.4615 77 R 3.9388 7.8117 117.0180 58.8951 29.5726 178.9400 78 Q 3.9710 7.4725 116.8110 58.6002 28.9109 177.4747 79 H 4.2313 7.8172 115.5894 54.9944 28.8772 174.2619 80 I 4.8965 7.0958 122.3076 59.2664 39.7923 175.1866 81 G 4.0869 9.2861 114.8823 44.7725 0.0000 172.1302 82 F 5.7125 8.9609 128.2239 56.4112 41.9890 174.2502 83 V 4.2298 8.9302 126.7720 61.2362 33.4014 174.1977 84 S 4.4937 7.9548 121.1340 55.9630 65.8415 174.1658 85 H 4.0681 8.9792 123.9610 59.4092 29.3940 177.6768 86 S 4.2155 7.9793 114.6166 61.3266 62.9308 175.8846 87 L 4.0464 7.6322 123.9864 57.6854 41.9818 178.4846 88 L 4.1430 7.4609 119.0390 58.1870 41.7732 178.0302 89 E 4.4343 7.7507 114.8403 56.2391 29.3798 177.2981 90 K 4.0523 7.6540 118.8691 58.1327 33.1540 177.1842 91 F 4.6847 7.6965 118.7884 56.7528 40.1501 175.1345 92 Q 4.6671 9.1148 123.4950 54.1129 30.3114 176.7672 93 E 3.9746 8.8207 120.1904 59.6313 29.5809 179.0305 94 G 3.8164 7.8495 104.3113 45.5809 0.0000 173.0799 95 E 4.4083 8.2553 121.1869 55.4837 30.5817 176.6604 96 R 4.4679 8.4323 122.2813 55.7622 32.2194 178.0448 97 V 3.5020 8.5139 122.6115 66.2786 31.6073 178.4834 98 I 3.5709 7.8186 118.2907 64.2377 37.8724 177.6246 99 D 4.3504 7.9423 119.3096 57.1507 40.5175 178.6652 100 V 3.5017 7.5905 118.0668 65.9012 31.7777 178.0263 101 V 3.5904 7.6604 117.9779 65.9775 31.3832 177.8464 102 I 3.5389 7.7358 119.8412 64.4492 36.4341 178.2312 103 S 3.6387 7.8970 113.7964 60.2901 62.2684 176.5629 104 G 3.7212 8.1842 111.0175 46.9477 0.0000 175.6233 105 A 4.1724 7.6267 123.2696 55.0195 18.3604 179.6036 106 F 4.6457 7.3523 115.1240 60.3085 38.6299 177.6684 107 K 3.9725 7.5071 119.8005 59.0284 32.0751 178.0536 108 S 4.5498 8.2397 112.7197 58.6283 63.9035 174.6779 109 I 4.2182 7.9355 113.2433 59.7281 39.1126 176.1012 110 G 3.8552 8.0704 108.9110 45.1034 0.0000 172.9221 111 V 3.6482 7.5265 109.3107 61.7187 32.9097 177.3893 112 Y 4.1946 7.6348 117.1287 60.8531 37.9974 176.5778 113 Q 4.0976 8.2084 117.0639 56.3308 29.2540 176.4822 114 D 4.4538 8.5621 122.3900 54.1505 41.4941 176.3999 115 I 3.9774 8.3830 124.8640 61.1526 36.7801 175.6272 116 D 4.9019 8.1995 127.1644 51.9237 43.0222 176.2684 117 D 4.3606 8.4907 117.8229 57.5872 40.7245 178.4171 118 E 3.9281 8.1901 119.4617 59.2781 29.7104 178.8943 119 I 3.7062 8.2942 119.9373 64.5112 37.1732 178.6240 120 R 3.9200 8.1288 118.9746 59.0671 29.7578 178.3787 121 N 4.2548 8.4685 117.2822 56.8238 38.9107 176.3893 122 E 3.8875 8.0289 119.9533 59.2135 29.6956 178.5399 123 A 3.9323 8.0230 120.6720 55.6614 18.4740 179.3447 124 H 4.0634 8.5201 115.0087 59.0925 28.7146 178.1261 125 Q 4.0489 8.4727 120.2027 58.9556 28.6061 178.8488 126 L 4.0689 8.1106 120.0561 57.6698 41.4240 179.3809 127 L 3.9873 7.9133 118.2518 57.6996 41.8198 179.3656 128 K 4.6497 7.9902 119.6315 59.1206 31.8348 179.3083 129 L 4.0756 7.7569 117.6927 57.3503 41.5773 178.5059 130 V 4.0337 7.5601 109.3742 60.7676 32.0757 175.1580 131 G 3.4951 7.5576 109.0133 45.9837 0.0000 173.5201 *133 S 4.4733 7.7863 117.7173 58.8242 65.3216 176.6869 134 A 4.0367 8.1087 121.2487 54.4684 18.4215 178.0271 135 K 4.5016 7.8563 113.4923 56.1664 32.8433 177.9686 136 A 3.9312 7.9099 125.3721 55.3804 18.2441 180.0732 137 Q 4.3872 7.8657 111.1424 56.0998 29.3397 175.8202 138 Q 4.3206 7.6650 118.5165 54.7598 30.1416 174.9267 139 Y 4.6621 8.3035 118.8849 57.8736 38.6572 177.2183 140 I 3.7418 9.1018 125.7993 63.7743 38.3309 178.1396 141 G 3.6155 8.0478 108.8020 48.2075 0.0000 173.8453 142 Y 4.6240 7.8767 115.2979 58.6025 38.3048 175.6465 143 L 4.6172 7.6393 120.7422 53.6818 43.0135 177.4051 144 S 4.4542 8.8298 116.9419 58.1575 65.0891 175.5678 145 T 3.9665 8.5653 119.2578 66.9842 68.2277 176.9178 146 G 3.6249 8.0652 106.8086 47.8129 0.0000 175.3947 147 E 3.9600 8.2630 121.0971 59.0525 29.2952 179.3068 148 K 3.8428 8.2414 117.5377 59.8953 32.2386 178.8666 149 Q 4.1307 8.0095 116.6734 59.1231 28.8998 178.9211 150 R 4.1318 7.9835 118.9590 58.9381 29.9581 179.9656 151 V 3.4181 7.7078 116.4519 63.2025 31.4963 177.8338 *153 I 4.0220 7.7936 118.8936 60.8549 39.0451 177.8439 154 A 3.9573 7.9286 120.6450 55.2042 18.2295 179.2722 155 R 3.8713 8.2125 117.1812 59.6250 29.9353 178.6086 156 A 4.1606 7.9237 118.6890 54.0625 19.5709 178.2798 157 L 4.2314 7.6824 118.9313 53.4375 39.7896 177.4452 *159 G 3.7849 7.8654 107.6050 43.8846 0.0000 170.4630 160 Q 3.2312 7.7251 117.4296 55.9319 26.1083 171.5130 161 P 4.3507 0.0000 0.0000 62.9451 32.8607 177.0835 162 Q 4.3398 8.7568 117.9508 57.0981 30.3839 176.0219 163 V 4.9356 7.6827 118.4874 60.8328 35.1896 173.7254 164 L 5.2037 9.0504 130.2131 53.5658 43.7374 175.2839 165 I 4.8330 9.4007 127.9772 59.6312 39.8886 174.5975 166 L 4.9635 9.3374 127.8656 53.0978 44.0786 175.5808 167 D 4.6359 9.2560 126.2397 52.5086 40.9104 176.1279 168 E 3.7131 8.2522 129.0539 56.7328 27.3806 174.8574 169 P 4.2328 0.0000 0.0000 64.7513 32.5559 177.6778 170 A 4.4015 7.8746 120.6674 51.6020 19.2129 176.3952 171 A 4.2151 7.5073 120.1170 54.0726 18.5449 178.8027 172 G 4.0213 9.0193 110.8889 45.4454 0.0000 173.5111 173 L 4.3127 7.6563 120.0959 53.9229 42.5645 177.3476 174 D 4.7582 8.3513 122.5177 52.5816 42.0564 177.0131 175 F 4.1809 8.7078 119.9035 61.6603 39.2481 177.0399 176 I 3.4471 7.9343 118.6836 64.2292 37.0466 178.0925 177 A 3.9440 8.5054 121.7965 55.0143 18.1516 179.4995 178 R 3.8309 8.1785 117.4140 59.8718 30.1076 178.6338 179 E 3.8114 8.0696 118.4049 59.2866 29.3253 179.5825 180 S 4.0596 8.2347 115.5563 61.4047 62.9377 176.4012 181 L 3.9815 7.9309 122.8597 58.3350 41.8911 179.0844 182 L 4.0615 8.1165 118.9723 57.8062 41.4445 179.4566 183 S 4.1214 8.4167 113.4653 61.3027 62.2322 176.2428 184 I 3.7216 7.9066 122.5344 64.4968 36.9095 178.3836 185 L 4.1659 8.1287 119.7169 57.8458 41.4258 179.3474 186 D 4.5131 8.3659 118.8573 57.5650 40.7230 178.9101 187 S 4.1348 8.2899 115.7009 61.7891 62.7697 176.9263 188 L 4.1080 8.4391 121.9609 57.7394 41.1567 179.5437 189 S 4.1113 8.2487 113.3418 61.4666 62.0975 175.9791 190 D 4.3404 7.9538 120.8145 57.3218 40.6236 178.6185 191 S 4.1362 8.1446 115.3063 60.2385 64.3918 174.3535 192 Y 4.8696 8.0791 118.8960 55.3144 38.2650 174.1548 193 P 4.5862 0.0000 0.0000 64.7216 32.1070 179.1718 194 T 4.1799 7.8331 107.4766 62.4721 69.4104 174.5009 195 L 3.9856 7.7686 125.5594 54.9820 42.5965 176.4695 196 A 5.1219 8.1870 127.9675 50.4740 21.7580 175.3298 *198 I 4.6840 8.0750 116.6614 61.9220 38.9607 174.5871 199 Y 4.8490 9.7819 129.7214 55.9181 40.7134 174.3226 200 V 4.7591 8.3445 128.1470 61.9927 33.2494 174.6257 201 T 4.7622 8.7702 121.2439 61.2841 71.3920 173.0427 202 H 4.4586 8.2778 118.3998 54.6864 29.1164 173.3609 203 F 5.3322 8.4979 119.5986 56.0205 41.2566 176.1849 204 I 3.8882 8.8979 120.0627 63.5889 37.6129 178.0128 205 E 4.3435 8.4695 119.6889 59.0193 29.3365 177.3587 206 E 4.2149 8.2735 116.4804 56.8249 29.8775 176.4469 207 I 3.8832 7.5904 121.5338 60.3052 37.3091 175.8235 208 T 4.4324 8.0543 115.7331 59.9360 70.3453 175.6363 209 A 4.1166 8.5436 124.7577 55.3847 18.3972 178.8900 210 N 4.3406 8.2052 111.6009 55.1128 38.8548 175.0040 211 F 4.4752 8.2336 117.6963 56.4171 38.6264 175.4062 212 S 4.7497 8.3912 120.0719 57.8738 64.9221 173.7259 213 K 4.7869 7.8442 119.8184 54.6388 35.8133 174.9650 214 I 5.3065 8.5115 122.1235 59.5376 42.1913 173.2038 215 L 5.0337 9.3233 130.8244 53.2681 44.7212 174.8843 216 L 4.7858 8.8629 127.4180 53.5522 42.9053 175.1661 217 L 5.2070 8.9438 127.4585 53.1170 44.0427 175.8715 218 K 4.3580 8.9184 126.8926 55.9606 35.0599 175.6829 219 D 4.0849 9.7444 127.3722 55.6173 38.4268 174.6006 220 G 4.1522 8.4345 103.7033 46.2767 0.0000 173.3323 221 Q 4.8530 7.7284 118.1189 53.6079 31.9941 174.9417 222 S 4.6579 8.4716 116.3621 57.7635 62.2100 174.0081 223 I 4.0168 8.9428 130.2580 63.9468 37.3821 176.8149 224 Q 4.6668 7.5924 117.3304 54.4979 32.7189 173.6303 225 Q 5.6615 7.7767 116.4784 54.1343 32.2053 175.9380 226 G 3.7616 8.3453 105.1607 45.4077 0.0000 171.1755 227 A 4.3993 7.9377 123.2946 51.6789 20.1227 178.4865 228 V 3.3744 8.4386 124.6172 66.1489 31.4365 178.2173 229 E 4.1298 8.3110 115.3393 60.0154 29.0863 178.4202 230 D 4.5081 7.8717 117.8913 56.3461 41.2351 177.9066 231 I 4.1398 7.3043 118.9641 62.3002 39.0158 176.8361 232 L 4.1491 7.7224 121.3479 53.3991 39.7067 175.8543 233 T 4.8017 7.2933 110.2044 59.1802 72.4653 175.1311 234 S 4.3429 9.0325 118.9264 62.1719 63.3019 176.2065 235 E 4.1309 8.3774 118.8701 59.8133 29.4240 179.4617 236 N 4.2652 8.0317 112.4112 54.3724 38.2289 177.0761 *238 S 5.2892 8.0820 115.8627 59.0632 64.8174 176.4760 239 R 3.9565 7.9829 117.7296 59.2288 30.0723 177.9354 240 F 4.2847 8.4000 119.2869 61.1415 39.2743 176.0732 241 F 4.5891 8.0972 116.2911 57.5436 39.4506 175.4139 242 Q 3.6406 7.8661 118.4822 56.0994 26.7745 173.6823 243 K 4.5942 7.6464 114.0755 54.9751 36.3965 175.7675 244 N 4.6280 8.7468 120.3354 53.3434 38.2343 174.8384 245 V 4.9018 8.4817 116.0596 59.3089 35.6242 175.1756 246 A 4.8222 8.9402 124.4129 50.1845 21.1215 175.8639 247 V 4.7643 8.8198 122.7653 61.1700 34.1337 174.7053 248 Q 4.6798 9.1255 127.2491 54.4042 33.0185 173.5586 249 R 4.4595 8.5771 125.0111 54.3920 31.4556 175.4745 250 W 5.0350 9.1059 134.9737 57.1965 33.9623 174.2872 251 N 3.8630 9.0523 122.8816 54.4933 35.5100 174.2380 252 N 4.1917 8.2446 109.1745 53.9163 36.5752 174.4494 253 R 4.7252 7.5981 116.0752 54.5554 34.3223 173.7423 254 F 5.3566 8.7659 117.9711 56.2803 41.2263 175.4694 255 S 4.9486 9.0532 117.4680 56.2780 66.2552 172.4238 *257 A 4.3030 8.2690 119.5868 52.1255 21.7646 177.4381 *259 L 4.0502 8.5134 115.0071 56.1798 42.1585 176.6470 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 -1 S 8.33 4.38 0.00 3.87 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 H 8.48 4.38 0.00 3.34 3.21 0.00 5.76 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.23 4.52 0.00 1.62 1.49 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 3 I 7.61 4.63 1.38 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 -0.22 0.55 0.00 0.00 4 Q 9.06 4.80 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.78 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 5 L 9.05 4.93 0.00 1.67 1.58 1.04 0.65 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 6 D 8.99 4.85 0.00 2.75 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.67 3.55 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 8 I 8.04 4.29 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.78 0.95 0.00 0.00 9 G 8.68 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.55 5.30 0.00 1.90 1.72 0.00 3.23 0.00 0.00 3.32 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.45 0.00 *12 K 8.38 4.20 0.00 1.82 1.72 0.00 1.94 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.42 7.81 13 Q 9.90 3.34 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 5.45 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 14 G 8.48 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 15 K 7.71 4.56 0.00 1.85 1.70 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.36 7.81 16 T 8.38 4.23 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 1.24 0.00 0.00 17 I 9.07 4.19 1.96 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 1.40 1.72 0.91 0.00 0.00 18 L 7.54 5.08 0.00 1.74 1.50 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.73 4.67 0.00 1.60 1.61 0.00 1.94 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.38 7.81 20 K 8.65 3.77 0.00 1.90 1.83 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.43 7.81 21 I 7.79 4.23 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.89 0.87 0.00 0.00 22 S 8.55 5.30 0.00 3.74 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 23 W 9.19 5.18 0.00 3.16 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 24 Q 9.03 5.02 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.48 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 25 I 8.69 4.68 1.43 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 -0.36 0.84 0.00 0.00 26 A 9.45 5.16 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 27 K 8.49 3.97 0.00 1.19 1.76 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.45 1.48 7.81 28 G 8.88 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 29 D 8.01 4.45 0.00 2.97 2.86 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 30 K 8.52 4.51 0.00 1.41 0.74 0.00 1.40 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.78 1.24 7.81 31 W 9.12 5.41 0.00 3.57 3.53 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 32 I 9.43 4.93 2.02 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 1.30 1.06 1.10 0.00 0.00 33 L 9.25 5.01 0.00 2.00 1.74 0.68 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.93 5.36 0.00 3.11 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 35 G 7.43 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.03 4.20 0.00 1.69 1.57 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.30 4.23 0.00 2.63 2.73 0.00 0.00 7.07 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 38 G 8.94 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 39 A 7.72 3.99 1.34 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 0.00 0.00 40 G 8.37 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 0.00 0.00 0.00 0.00 41 K 8.31 3.96 0.00 1.82 1.90 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.52 7.81 42 T 7.92 3.94 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 43 T 7.91 3.88 4.40 0.00 0.00 0.00 0.00 0.00 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 44 L 8.09 4.04 0.00 1.80 1.91 1.04 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.27 4.04 0.00 1.96 1.66 1.17 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.53 4.50 0.00 3.01 2.98 0.00 0.00 7.01 7.43 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 47 I 7.55 4.21 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.93 0.91 0.00 0.00 48 L 7.60 3.95 0.00 1.71 1.61 0.82 0.86 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 49 N 8.17 4.42 0.00 2.59 2.26 0.00 0.00 7.05 7.55 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 50 A 7.46 3.83 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 51 Y 8.02 4.50 0.00 3.12 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.99 4.81 0.00 2.03 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 2.34 2.34 0.00 53 P 0.00 4.72 0.00 2.17 2.06 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 54 A 8.30 4.25 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 55 T 8.92 4.33 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56 S 7.74 4.50 0.00 3.96 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.83 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.14 4.68 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 1.18 0.00 0.00 59 V 8.30 4.49 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 0.75 0.00 0.00 0.89 0.00 0.00 60 N 9.17 4.92 0.00 2.72 2.55 0.00 0.00 6.59 7.47 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 61 L 8.78 4.35 0.00 1.73 1.58 1.04 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.95 3.90 0.00 2.91 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 63 G 8.40 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 0.00 0.00 0.00 64 K 7.55 4.60 0.00 2.17 1.96 0.00 2.02 0.00 0.00 1.66 0.00 0.00 3.21 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.65 7.81 *66 P 0.00 3.58 0.00 1.75 1.42 0.00 3.31 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.23 0.00 67 G 8.18 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 0.00 0.00 0.00 0.00 68 K 7.39 4.29 0.00 1.84 1.78 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.51 1.38 7.81 69 V 8.07 3.78 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 0.95 0.00 0.00 70 G 8.98 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 7.63 4.22 0.00 2.98 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 72 S 7.15 4.21 0.00 3.77 3.48 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 73 A 8.31 3.72 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 74 E 7.96 3.80 0.00 1.99 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 2.37 0.00 75 T 7.36 3.83 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 1.19 0.00 0.00 76 V 7.58 3.80 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.92 0.00 0.00 77 R 7.81 3.94 0.00 1.82 1.89 0.00 3.02 0.00 0.00 2.51 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.59 0.00 78 Q 7.47 3.97 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 79 H 7.82 4.23 0.00 1.66 1.87 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.10 4.90 1.84 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.61 0.97 0.00 0.00 81 G 9.29 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.96 5.71 0.00 2.91 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 83 V 8.93 4.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.94 0.00 0.00 84 S 7.95 4.49 0.00 2.72 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.98 4.07 0.00 3.19 3.25 0.00 5.73 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 7.98 4.22 0.00 4.03 3.98 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 0.00 0.00 0.00 87 L 7.63 4.05 0.00 1.65 1.79 0.98 0.76 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 88 L 7.46 4.14 0.00 1.85 1.76 0.93 0.98 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 89 E 7.75 4.43 0.00 1.94 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 2.21 2.20 0.00 90 K 7.65 4.05 0.00 1.64 1.77 0.00 1.38 0.00 0.00 1.52 0.00 0.00 2.64 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.00 0.60 7.81 91 F 7.70 4.68 0.00 3.28 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 92 Q 9.11 4.67 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 93 E 8.82 3.97 0.00 1.86 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 0.00 2.36 2.20 0.00 94 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 95 E 8.26 4.41 0.00 2.26 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 96 R 8.43 4.47 0.00 1.94 1.76 0.00 3.19 0.00 0.00 2.75 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 97 V 8.51 3.50 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 0.93 0.00 0.00 0.99 0.00 0.00 98 I 7.82 3.57 1.85 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.97 0.92 0.00 0.00 99 D 7.94 4.35 0.00 2.90 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 0.00 100 V 7.59 3.50 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.84 0.00 0.00 101 V 7.66 3.59 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.86 0.00 0.00 102 I 7.74 3.54 1.92 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 1.49 0.51 0.73 0.00 0.00 103 S 7.90 3.64 0.00 4.28 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 0.00 104 G 8.18 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 0.00 0.00 0.00 105 A 7.63 4.17 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 0.00 106 F 7.35 4.65 0.00 3.13 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 7.51 3.97 0.00 1.95 2.01 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.43 7.81 108 S 8.24 4.55 0.00 4.00 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 0.00 109 I 7.94 4.22 2.08 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 1.60 0.92 0.93 0.00 0.00 110 G 8.07 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 0.00 0.00 0.00 111 V 7.53 3.65 1.59 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 0.35 0.00 0.00 0.25 0.00 0.00 112 Y 7.63 4.19 0.00 2.96 2.98 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 0.00 0.00 0.00 113 Q 8.21 4.10 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 114 D 8.56 4.45 0.00 2.68 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 0.00 115 I 8.38 3.98 1.94 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.66 0.94 0.00 0.00 116 D 8.20 4.90 0.00 2.95 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 0.00 117 D 8.49 4.36 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 0.00 118 E 8.19 3.93 0.00 2.04 2.16 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 2.38 2.41 0.00 119 I 8.29 3.71 1.88 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 1.75 0.86 0.86 0.00 0.00 120 R 8.13 3.92 0.00 1.88 2.04 0.00 3.17 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 121 N 8.47 4.25 0.00 3.01 3.05 0.00 0.00 6.84 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 0.00 122 E 8.03 3.89 0.00 2.20 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 0.00 2.28 2.32 0.00 123 A 8.02 3.93 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 0.00 124 H 8.52 4.06 0.00 3.27 3.35 0.00 5.63 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 0.00 125 Q 8.47 4.05 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.77 2.57 0.00 126 L 8.11 4.07 0.00 1.82 1.71 0.88 0.45 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 0.00 127 L 7.91 3.99 0.00 1.76 1.72 0.82 0.87 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 0.00 128 K 7.99 4.65 0.00 2.04 1.87 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.54 7.81 129 L 7.76 4.08 0.00 1.87 1.81 1.10 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 139 Y 8.30 4.66 0.00 3.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 9.10 3.74 1.95 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.32 1.02 0.00 0.00 141 G 8.05 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.88 4.62 0.00 3.23 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.64 4.62 0.00 1.89 1.61 1.04 0.91 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 0.00 144 S 8.83 4.45 0.00 4.08 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 0.00 145 T 8.57 3.97 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 146 G 8.07 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.26 3.96 0.00 2.29 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 148 K 8.24 3.84 0.00 1.86 1.88 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.48 1.62 7.81 149 Q 8.01 4.13 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.97 0.00 0.00 0.00 0.00 0.00 2.58 2.67 0.00 150 R 7.98 4.13 0.00 2.02 1.98 0.00 3.42 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 151 V 7.71 3.42 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 0.96 0.00 0.00 0.96 0.00 0.00 *153 I 7.79 4.02 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.04 0.96 0.00 0.00 154 A 7.93 3.96 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 0.00 155 R 8.21 3.87 0.00 1.82 1.86 0.00 2.96 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 156 A 7.92 4.16 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 0.00 157 L 7.68 4.23 0.00 1.82 1.51 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 *159 G 7.87 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 0.00 160 Q 7.73 3.23 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.88 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 161 P 0.00 4.35 0.00 2.36 1.98 0.00 3.74 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 1.91 2.17 0.00 162 Q 8.76 4.34 0.00 1.99 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.24 0.00 163 V 7.68 4.94 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 1.01 0.00 0.00 1.19 0.00 0.00 164 L 9.05 5.20 0.00 1.69 1.65 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 165 I 9.40 4.83 2.21 0.00 0.00 0.80 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 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 S 8.14 4.14 0.00 3.83 3.18 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 0.00 192 Y 8.08 4.87 0.00 3.11 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 0.00 193 P 0.00 4.59 0.00 2.22 2.30 0.00 3.87 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.90 0.00 194 T 7.83 4.18 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 1.25 0.00 0.00 195 L 7.77 3.99 0.00 1.65 1.93 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 196 A 8.19 5.12 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 *198 I 8.07 4.68 2.05 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 1.33 0.60 1.26 0.00 0.00 199 Y 9.78 4.85 0.00 2.76 2.49 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 0.00 0.00 0.00 0.00 200 V 8.34 4.76 2.15 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 0.89 0.00 0.00 1.07 0.00 0.00 201 T 8.77 4.76 4.56 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 1.55 0.00 0.00 202 H 8.28 4.46 0.00 2.81 3.17 0.00 5.54 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 F 8.50 5.33 0.00 3.38 3.17 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 0.00 204 I 8.90 3.89 1.84 0.00 0.00 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 1.51 0.80 0.58 0.00 0.00 205 E 8.47 4.34 0.00 2.06 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 0.00 2.39 2.68 0.00 206 E 8.27 4.21 0.00 2.34 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 0.00 2.49 2.50 0.00 207 I 7.59 3.88 2.06 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.51 0.96 0.00 0.00 208 T 8.05 4.43 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 1.19 0.00 0.00 209 A 8.54 4.12 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 0.00 210 N 8.21 4.34 0.00 2.82 2.74 0.00 0.00 6.87 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 0.00 211 F 8.23 4.48 0.00 3.17 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 0.00 212 S 8.39 4.75 0.00 3.80 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 0.00 213 K 7.84 4.79 0.00 0.79 0.74 0.00 0.87 0.00 0.00 0.82 0.00 0.00 2.61 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.87 0.88 7.81 214 I 8.51 5.31 1.84 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.61 0.86 0.00 0.00 215 L 9.32 5.03 0.00 1.31 1.06 -0.68 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 216 L 8.86 4.79 0.00 1.50 1.00 0.25 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 217 L 8.94 5.21 0.00 1.52 1.56 0.85 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 218 K 8.92 4.36 0.00 1.51 1.54 0.00 1.28 0.00 0.00 1.40 0.00 0.00 2.77 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.18 1.13 7.81 219 D 9.74 4.08 0.00 2.80 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 G 8.43 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 0.00 221 Q 7.73 4.85 0.00 2.23 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.24 0.00 222 S 8.47 4.66 0.00 3.68 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 0.00 223 I 8.94 4.02 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.16 1.03 0.00 0.00 224 Q 7.59 4.67 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 225 Q 7.78 5.66 0.00 2.44 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.13 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 226 G 8.35 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 0.00 227 A 7.94 4.40 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 0.00 228 V 8.44 3.37 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 0.86 0.00 0.00 0.93 0.00 0.00 229 E 8.31 4.13 0.00 2.21 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 0.00 2.29 2.44 0.00 230 D 7.87 4.51 0.00 2.81 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 0.00 231 I 7.30 4.14 1.83 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 1.44 0.46 0.70 0.00 0.00 232 L 7.72 4.15 0.00 1.16 1.10 -0.10 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 233 T 7.29 4.80 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 1.23 0.00 0.00 234 S 9.03 4.34 0.00 3.91 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 0.00 235 E 8.38 4.13 0.00 2.04 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 2.42 2.36 0.00 236 N 8.03 4.27 0.00 2.82 2.74 0.00 0.00 7.07 7.44 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 *238 S 8.08 5.29 0.00 4.16 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 0.00 239 R 7.98 3.96 0.00 2.02 2.03 0.00 3.19 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 240 F 8.40 4.28 0.00 2.77 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 0.00 241 F 8.10 4.59 0.00 3.18 2.98 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 0.00 0.00 0.00 242 Q 7.87 3.64 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 243 K 7.65 4.59 0.00 1.86 1.66 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.50 7.81 244 N 8.75 4.63 0.00 2.74 2.82 0.00 0.00 6.76 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 V 8.48 4.90 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 0.83 0.00 0.00 1.17 0.00 0.00 246 A 8.94 4.82 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 0.00 247 V 8.82 4.76 2.15 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 1.00 0.00 0.00 1.00 0.00 0.00 248 Q 9.13 4.68 0.00 2.15 1.90 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 2.30 2.32 0.00 249 R 8.58 4.46 0.00 1.43 1.65 0.00 3.04 0.00 0.00 2.98 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.50 0.00 250 W 9.11 5.03 0.00 3.21 2.98 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 0.00 0.00 0.00 251 N 9.05 3.86 0.00 2.14 2.43 0.00 0.00 7.14 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 252 N 8.24 4.19 0.00 2.79 2.86 0.00 0.00 6.94 7.66 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 0.00 253 R 7.60 4.73 0.00 1.86 1.84 0.00 3.45 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 254 F 8.77 5.36 0.00 3.12 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 0.00 255 S 9.05 4.95 0.00 3.86 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 *257 A 8.27 4.30 1.25 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 0.00 0.00 *259 L 8.51 4.05 0.00 1.84 1.65 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.