NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4810 8.1927 115.4168 57.7090 64.7323 174.1347 3 L 3.3102 8.2974 120.8758 57.2703 41.6763 176.9545 4 R 3.4263 7.8329 118.4951 59.4039 30.4406 177.9700 5 S 4.0063 7.9630 113.8944 61.6081 62.8988 176.1403 6 D 4.3326 8.3165 122.7692 56.7173 40.4384 178.5192 7 L 3.8378 8.1544 121.2932 58.2698 42.1694 178.9956 8 I 3.3453 7.5316 118.3756 63.6431 37.7826 177.6366 9 N 4.3476 8.0574 117.5640 56.1255 38.3334 177.1985 10 A 4.0119 8.1177 122.2783 55.1212 18.4835 179.7140 11 L 3.9503 8.1137 117.8576 58.0067 41.5930 179.3354 12 Y 4.4917 7.9213 116.6418 61.4077 37.8130 178.3801 13 D 4.4102 8.3244 119.7060 57.5012 41.0525 178.5986 14 E 4.1380 8.5259 119.8585 59.3633 29.4041 178.3950 15 N 4.6365 8.4347 116.4153 56.8330 39.1034 176.6645 16 Q 4.1554 8.1985 118.9741 58.7194 28.9125 178.2384 17 K 3.9543 8.1870 118.4398 57.1775 32.5931 176.8340 18 Y 4.9666 7.5739 114.9875 56.1094 41.4742 174.7499 19 D 5.0541 8.6235 121.9546 51.3169 42.4645 176.4442 20 V 3.8753 8.3993 118.5651 61.7558 31.9672 176.2602 21 C 4.6495 8.3923 115.7837 56.8998 31.1684 173.1253 22 G 4.0089 7.3699 106.1398 46.4809 0.0000 172.4134 23 I 4.6043 8.4140 121.3660 59.5601 39.0413 175.0482 24 I 5.0815 8.4627 127.2554 59.3377 40.1170 174.9172 25 S 4.8512 8.8857 123.1443 56.7070 65.0708 175.0883 26 A 3.9887 8.7049 122.9139 54.8382 18.1887 178.3497 27 E 4.2265 8.1973 113.2269 56.6420 29.9424 177.2501 28 G 3.9380 8.4081 108.0396 44.7495 0.0000 173.2372 29 K 4.4386 7.8619 121.6282 55.5797 33.7983 175.3766 30 I 5.0796 8.8264 128.0751 59.8390 40.0348 173.9159 31 Y 4.9351 9.2780 125.3124 55.4358 39.8601 173.9991 32 P 4.7328 0.0000 0.0000 62.7642 32.5681 175.9612 33 L 4.3473 8.3515 121.1747 53.9201 42.9187 176.4707 34 G 3.9566 8.2684 111.0209 45.5447 0.0000 174.4413 35 S 4.5798 8.4230 114.8396 57.6530 62.8721 175.1544 36 D 4.9766 7.4383 121.2880 53.1928 42.5959 177.4065 37 T 4.0944 8.4906 119.1348 67.3258 67.3791 177.5808 38 K 3.9840 8.1482 125.2481 59.7948 31.5645 181.3655 39 V 3.5922 7.5395 118.2815 65.9892 31.7127 177.9997 40 L 3.2507 7.6086 118.8788 57.3723 41.3927 179.6824 41 S 4.3161 8.4193 115.8218 61.2192 62.9604 176.7826 42 T 3.8342 7.2447 119.6435 66.2947 68.1428 176.7185 43 I 3.6458 7.4205 121.5516 64.4369 37.1352 178.4470 44 F 4.1956 8.1600 118.9017 60.4482 38.5671 177.4263 45 E 4.0890 8.1886 118.5075 59.5294 29.3528 178.9649 46 L 4.1508 7.6943 117.1729 57.7330 41.6803 179.0358 47 F 4.3489 8.5376 120.5217 61.2526 39.5585 177.0514 48 S 4.3013 8.2696 114.7945 60.7140 62.7141 176.2041 49 R 3.6477 7.9883 121.9414 59.2327 29.7354 176.6006 50 P 4.2055 0.0000 0.0000 65.5746 31.3423 178.6888 51 I 3.6093 7.4632 118.0240 64.3486 37.1129 178.3292 52 I 3.5516 7.6320 120.6389 64.4800 36.8740 178.3172 53 N 4.3184 8.0718 117.2359 56.1495 38.3114 177.0370 54 K 3.8553 8.1559 121.0810 59.7889 32.3390 178.7520 55 I 3.7071 7.9833 119.4455 64.3285 37.0857 178.3348 56 A 4.1006 8.2133 124.0079 55.9313 18.2583 180.1860 57 E 4.0029 8.3627 116.7915 61.1189 29.5429 181.0600 58 K 4.1650 7.8645 119.6143 59.1768 32.2674 177.6292 59 H 4.8552 7.9017 113.2992 54.9491 28.9006 175.4172 60 G 3.7935 7.8281 108.3983 46.4645 0.0000 172.9955 61 Y 4.6611 8.2717 116.9254 56.0016 39.8059 175.8814 62 I 4.0934 8.3550 124.6704 60.7203 39.0045 174.8807 63 V 4.9997 8.2826 124.6769 61.2471 33.7229 174.4841 64 E 4.9262 9.4925 126.8761 54.7274 33.1250 174.9256 65 E 5.0982 8.5963 122.0735 52.8933 32.3314 174.2308 66 P 4.3257 0.0000 0.0000 63.6448 31.8853 177.4684 67 K 4.4027 8.4110 120.6539 54.6133 32.9479 177.2672 68 Q 4.7349 7.5265 114.9218 54.8216 31.3581 175.7580 69 Q 4.1777 8.5678 119.1739 57.4729 29.2037 176.4124 70 N 4.9481 7.9765 114.4830 52.6102 37.7329 173.8913 71 H 5.1226 8.0664 115.0610 54.7943 31.4713 172.7979 72 Y 4.7057 8.7321 125.2747 55.9333 40.8169 172.8807 73 P 4.3782 0.0000 0.0000 60.7847 33.4606 174.8051 74 D 4.2421 8.7713 118.8622 56.8732 41.7804 177.3040 75 F 5.0882 8.4218 116.3204 55.9323 43.4207 174.0649 76 T 5.1479 9.2865 120.4823 61.9297 70.9607 173.1744 77 L 5.8838 8.9537 127.1203 52.6034 44.6984 175.2256 78 Y 5.0705 8.0502 117.9076 56.3981 41.1376 173.3215 79 K 4.2634 8.2658 120.8378 54.4519 33.3543 176.4265 80 P 4.4637 0.0000 0.0000 65.6919 31.3749 177.8772 81 S 4.2566 8.0485 112.9741 60.3419 63.4737 174.1722 82 E 4.6113 7.7287 120.9593 53.2800 28.8367 174.6016 83 P 4.1115 0.0000 0.0000 64.8855 31.9658 177.8843 84 N 4.6323 7.9148 114.9363 53.0761 38.9470 175.0760 85 K 4.7020 7.3418 116.1151 55.5177 31.5021 176.6348 86 K 4.4242 8.2370 120.4023 56.3446 34.1859 177.9244 87 I 4.6595 8.8722 122.9255 59.4446 40.2967 174.3745 88 A 4.8847 8.5661 129.3718 50.6353 20.8715 175.7714 89 I 4.9275 8.9053 123.6733 59.5230 40.5121 174.0900 90 D 5.2872 9.2468 127.1276 52.4182 44.1326 174.4898 91 I 4.8823 9.3241 127.4028 60.5170 38.3486 175.4698 92 K 4.9936 9.1588 125.5786 55.0994 36.2525 175.4550 93 T 5.6637 8.6384 118.0113 62.8921 73.5166 172.5341 94 T 4.6667 8.8279 117.6855 61.5067 71.5028 171.2961 95 Y 4.8545 7.9095 121.9011 55.0236 41.3043 174.2725 96 T 4.5437 8.6282 108.9366 60.3813 72.2380 174.3616 97 N 4.4528 8.9634 120.9642 55.2126 39.7525 176.6305 *102 K 4.3290 7.7561 120.2231 54.9512 33.5612 178.6743 103 I 4.7725 8.8987 117.7992 58.5015 41.5242 173.8766 104 K 5.2370 7.8466 118.8270 56.2369 35.0633 174.8130 105 F 5.0730 9.7541 120.0198 55.9784 43.7116 174.0082 106 T 4.8284 8.7034 111.0216 60.1866 69.7726 174.0083 107 L 4.5481 8.8691 128.2250 54.6873 42.4734 178.0104 108 G 3.9888 8.4253 104.4801 44.7838 0.0000 174.1183 109 G 3.7113 8.0357 107.6722 45.5353 0.0000 173.3133 110 Y 4.4647 8.0152 118.0247 56.6035 38.5143 176.8207 111 T 4.6391 7.3283 108.8110 61.5267 71.2096 173.8544 112 S 4.6524 7.0062 118.3291 57.6615 61.5674 177.3216 113 F 4.9000 9.0463 116.7200 58.8937 37.1545 176.8531 114 I 2.9891 6.5428 112.6663 61.9986 37.6842 176.3885 115 R 4.3578 7.6974 118.6858 55.8944 32.0233 175.4013 116 N 4.8053 7.5681 116.5865 51.4481 41.2498 174.0612 117 N 4.4562 9.0811 125.5488 56.3852 39.0323 175.6481 118 T 4.5870 8.1015 105.1360 60.8057 69.3503 173.3690 119 K 4.1612 8.1945 123.8798 57.0384 32.7335 176.1356 120 N 4.3818 8.9292 124.8918 54.0497 36.2923 173.6095 121 I 5.0234 7.2872 114.6797 59.0479 41.6204 174.5668 122 V 3.7243 8.7094 127.3622 65.5458 31.5575 175.8555 123 Y 4.8426 7.5666 113.9738 54.9125 41.6519 173.4275 124 P 4.5895 0.0000 0.0000 63.1821 32.2968 177.0823 125 F 4.4709 9.8039 125.6932 61.7001 39.3204 176.6676 126 D 4.6390 8.7870 117.4088 54.9621 39.3204 176.6914 127 Q 4.1563 8.3484 119.0936 56.6142 29.3213 174.6183 128 Y 4.7445 7.7597 116.8573 56.4810 39.1390 175.3896 129 I 4.4884 8.3974 116.7783 60.8937 39.0910 175.3075 130 A 4.7382 7.4688 123.7306 51.2504 22.8854 175.1582 131 H 5.0637 8.9723 116.8756 54.0611 31.9653 172.2989 132 W 5.4881 9.4881 124.1368 55.3238 31.7012 175.5733 133 I 4.9102 9.0759 124.0311 59.7632 39.7368 174.7183 134 I 4.3816 8.8813 129.2768 59.8626 38.4210 174.7591 135 G 3.2907 7.3962 115.5673 44.3462 0.0000 170.8685 136 Y 4.9938 9.0668 122.7614 55.9386 40.8717 174.8332 137 V 4.9802 9.0183 124.6935 61.1916 34.3617 173.6743 138 Y 5.3399 8.5098 125.8900 55.4533 41.4189 174.8499 139 T 4.6956 8.8824 119.3074 62.6183 69.7440 174.4148 140 R 4.5570 8.8964 128.4667 56.8583 30.9861 174.7684 141 V 3.9696 8.6551 122.5041 61.9260 29.9237 179.2814 *147 S 4.3421 8.9155 128.1180 59.8154 63.8839 174.4831 148 L 4.7732 8.5817 123.3169 54.7992 41.9071 172.0804 149 K 4.6310 7.6958 120.4626 53.6726 35.2593 178.0353 150 T 4.6382 7.6650 106.8033 61.5934 71.5641 172.6098 151 Y 5.0748 8.7467 118.9109 56.5131 43.1276 173.7652 152 N 5.4131 8.8896 117.3181 50.6077 40.3841 175.7373 153 I 3.6137 8.7166 114.7622 64.3898 37.4089 177.3541 154 N 4.6169 8.6611 116.7820 53.3726 37.8977 180.1344 155 E 4.7338 8.2808 116.2153 56.8894 30.3690 177.6195 156 L 3.8252 8.2647 124.7233 58.8080 41.6651 179.9991 157 N 4.4751 8.0287 113.3657 54.4660 37.7019 177.4907 158 E 4.2377 8.0529 115.0968 58.2545 30.0748 176.7880 159 I 3.1387 6.9447 120.0087 59.8320 37.0436 174.1629 160 P 4.1708 0.0000 0.0000 62.3611 31.7359 176.3661 161 K 3.9029 8.3134 123.6372 55.3781 32.5487 176.0093 162 P 4.3221 0.0000 0.0000 62.5373 30.8381 175.3522 163 Y 4.9601 7.1680 117.1365 57.5777 40.6107 175.4598 164 K 4.4276 8.7831 124.8040 55.9767 32.7440 177.0571 165 G 4.2158 7.9127 103.8594 46.9221 0.0000 172.6201 166 V 5.0171 8.3249 119.8638 61.1400 34.7549 174.0978 167 K 4.8002 9.2695 126.4893 54.4566 35.8901 175.4920 168 V 4.8048 8.4442 121.5731 59.9803 34.4766 174.4828 169 F 5.0584 8.2713 116.4497 55.3328 41.9087 172.7176 170 L 5.1252 8.3967 121.2825 53.4117 44.2522 175.1924 171 Q 4.5096 9.0543 126.0762 54.5103 32.7755 173.5495 172 D 5.0015 8.4633 124.2173 54.0786 41.7161 177.3172 173 K 3.9174 9.3024 125.8197 59.3954 32.5167 178.9841 174 W 2.8593 8.0518 116.0514 59.2903 27.5379 178.1165 175 V 2.4596 6.3782 117.9225 64.5404 30.7434 177.0197 176 I 4.0421 7.0108 109.9640 59.6729 37.9829 175.4137 177 A 4.4525 7.2433 124.3738 52.4851 18.9880 177.6261 178 G 4.4083 8.9652 111.1104 44.0888 0.0000 172.7834 179 D 4.5447 8.6333 117.8107 52.8623 40.6844 175.8765 180 L 5.1248 7.9898 119.8478 52.7164 44.5155 175.6811 181 A 4.5187 8.9070 125.3536 53.0304 18.5362 177.8576 182 G 4.0374 9.3158 108.1857 47.6893 0.0000 173.8084 183 S 4.3394 7.8816 113.0211 58.0239 65.4296 173.6998 184 G 3.7891 9.0692 110.1206 47.3034 0.0000 175.4413 185 N 4.3069 8.3285 121.3040 54.9025 38.0207 176.3753 186 T 4.1521 7.7843 106.9080 61.3106 69.7081 175.6473 187 T 3.2909 7.3251 110.2390 62.7422 67.7550 170.6890 188 N 5.2878 8.0191 124.7092 52.0922 41.9794 175.8604 189 I 2.7209 8.7307 123.7459 60.9368 38.3509 175.3532 190 G 4.8889 8.3222 113.2589 44.1794 0.0000 173.6524 191 S 5.2382 8.6502 118.8543 56.8939 65.0006 173.6449 192 I 3.9092 8.4203 113.9070 61.4777 38.2095 175.8904 193 H 5.1329 8.7662 123.6079 54.9356 30.1640 172.7039 194 A 4.6315 8.7197 126.1883 50.4559 23.5386 174.7159 195 H 4.7544 8.6581 114.8505 55.6185 29.8674 176.1556 196 Y 4.4443 9.2020 124.9975 62.0138 38.3078 179.6394 197 K 3.8723 8.2720 123.7894 59.9795 31.7280 180.9811 198 D 4.5543 8.2991 119.6787 56.8872 40.5739 179.0166 199 F 3.5255 7.7359 118.1340 60.0594 38.7532 177.7537 200 V 3.2329 6.7651 116.7408 65.9356 31.2752 176.9152 201 E 3.9683 8.2559 116.7358 56.5004 29.4886 176.7616 202 G 3.5989 7.1355 106.5136 46.5436 0.0000 175.6163 203 K 4.1289 7.8897 120.3932 54.8506 30.8739 177.9217 204 G 4.1765 7.6862 111.5123 43.4532 0.0000 170.3488 205 I 4.3228 8.0338 110.0371 60.7332 39.6178 175.9328 206 F 4.7779 8.0018 119.3388 57.1704 39.5773 175.3964 207 D 4.6815 9.6058 125.2101 57.1711 41.1201 176.8576 208 S 3.9487 7.5788 112.1892 56.0427 66.8194 174.8126 209 E 3.3304 7.0815 121.5121 58.8057 29.1837 177.9177 210 D 4.2683 7.7111 117.9205 57.2241 41.2377 177.7369 211 E 4.0439 8.1415 119.8909 59.0457 29.6911 178.3942 212 F 2.3876 7.8520 120.6646 60.8185 39.3240 177.0904 213 L 3.4131 7.9393 118.5541 57.6790 41.3079 179.0633 214 D 4.3153 8.0386 117.9093 57.3426 40.6399 177.5298 215 Y 3.1958 7.7804 120.1904 60.4207 38.5361 178.3089 216 W 4.0864 7.5883 117.7924 59.1385 29.2292 178.4011 217 R 4.1990 8.0769 117.1022 57.6468 29.6433 176.7766 218 N 4.8109 7.3379 113.9324 52.5799 39.7284 173.7694 219 Y 3.2626 7.2275 120.4046 56.9022 39.1692 175.2913 220 E 4.1282 7.2787 126.5513 55.7080 30.4420 177.2625 221 R 4.6870 8.8177 120.4210 58.2155 30.5918 177.4495 222 T 4.7619 7.3597 106.6286 59.0421 73.2057 174.8061 223 S 4.0505 8.6438 120.0196 62.4593 62.5980 177.2579 224 Q 4.0304 8.1919 124.2598 61.2573 27.8454 181.2899 225 L 4.2749 7.2306 122.4180 59.3066 41.1398 181.5108 226 R 3.8775 8.0102 118.9021 58.5037 29.9969 178.9542 227 N 4.4543 8.1230 118.4714 52.4742 37.2187 176.1644 *229 K 4.2279 7.5937 118.4716 54.9374 34.2084 174.3028 230 Y 4.9341 6.0054 114.8344 56.4106 41.3630 174.7013 231 N 4.8304 9.1923 118.3415 52.9981 40.7277 174.0561 232 N 5.1872 7.8119 116.5067 51.0379 41.4847 174.7139 233 I 3.7506 9.1280 120.1620 64.3779 37.9582 177.8926 234 S 4.1642 8.1300 115.4604 61.8187 62.7141 176.4482 235 E 4.1316 8.9336 121.4142 59.3040 29.0593 178.8737 236 Y 3.5197 8.1514 119.8199 60.6770 38.8566 178.1922 237 R 3.6783 8.3073 119.0207 59.0705 29.9875 178.6686 238 N 4.3891 8.0725 116.7543 56.3471 38.9404 176.6894 239 W 4.2172 8.4064 130.0103 60.4992 30.6173 178.0024 240 I 3.2209 7.8354 119.8335 64.4275 36.3418 177.6169 241 Y 4.0145 7.6017 118.8008 60.8272 38.7106 178.0668 242 R 3.7112 7.9323 116.8309 56.9202 30.1660 177.1202 243 G 3.4989 7.3903 107.2823 45.7191 0.0000 173.6302 244 R 2.0000 6.9322 113.9302 54.8675 27.7391 176.8633 245 K 4.1767 6.8725 120.2652 57.6111 31.9293 175.3556 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 2 S 8.19 4.48 0.00 4.04 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 3 L 8.30 3.31 0.00 1.64 1.68 0.77 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.83 3.43 0.00 1.58 1.68 0.00 2.67 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.00 5 S 7.96 4.01 0.00 4.05 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 6 D 8.32 4.33 0.00 2.96 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.15 3.84 0.00 1.81 1.72 0.84 0.86 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 8 I 7.53 3.35 1.52 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.12 0.75 0.00 0.00 9 N 8.06 4.35 0.00 2.97 2.86 0.00 0.00 6.77 7.30 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 10 A 8.12 4.01 1.37 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 0.00 0.00 0.00 11 L 8.11 3.95 0.00 1.56 1.61 0.77 0.94 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 12 Y 7.92 4.49 0.00 3.19 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 13 D 8.32 4.41 0.00 2.79 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.53 4.14 0.00 2.25 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 0.00 1.73 2.21 0.00 15 N 8.43 4.64 0.00 3.09 3.13 0.00 0.00 7.29 6.63 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 16 Q 8.20 4.16 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 17 K 8.19 3.95 0.00 1.46 0.98 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.46 1.34 7.81 18 Y 7.57 4.97 0.00 3.36 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 19 D 8.62 5.05 0.00 2.73 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 20 V 8.40 3.88 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 0.70 0.00 0.00 0.97 0.00 0.00 21 C 8.39 4.65 0.00 2.89 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 22 G 7.37 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.41 4.60 1.98 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 1.12 0.60 0.92 0.00 0.00 24 I 8.46 5.08 1.92 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 1.45 1.06 0.94 0.00 0.00 25 S 8.89 4.85 0.00 4.23 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.70 3.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.20 4.23 0.00 1.99 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 2.30 2.38 0.00 28 G 8.41 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 29 K 7.86 4.44 0.00 1.83 1.72 0.00 1.51 0.00 0.00 1.65 0.00 0.00 2.47 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.81 1.19 7.81 30 I 8.83 5.08 1.94 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 1.27 0.64 1.00 0.00 0.00 31 Y 9.28 4.94 0.00 2.92 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.73 0.00 2.13 2.18 0.00 3.88 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.30 0.00 33 L 8.35 4.35 0.00 1.59 1.58 0.88 0.83 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 34 G 8.27 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 0.00 0.00 0.00 35 S 8.42 4.58 0.00 3.63 3.74 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 36 D 7.44 4.98 0.00 2.85 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 37 T 8.49 4.09 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 38 K 8.15 3.98 0.00 1.76 1.83 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.08 7.81 39 V 7.54 3.59 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 0.91 0.00 0.00 0.92 0.00 0.00 40 L 7.61 3.25 0.00 1.17 0.42 -0.10 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.42 4.32 0.00 4.09 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 0.00 42 T 7.24 3.83 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 1.17 0.00 0.00 43 I 7.42 3.65 1.48 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.80 0.80 0.00 0.00 44 F 8.16 4.20 0.00 2.87 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.19 4.09 0.00 2.19 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 0.00 2.54 2.62 0.00 46 L 7.69 4.15 0.00 1.89 1.78 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.54 4.35 0.00 3.05 3.29 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 48 S 8.27 4.30 0.00 4.21 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 49 R 7.99 3.65 0.00 2.13 2.13 0.00 3.19 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 50 P 0.00 4.21 0.00 2.05 2.00 0.00 3.71 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 2.00 2.13 0.00 51 I 7.46 3.61 1.89 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.66 0.83 0.00 0.00 52 I 7.63 3.55 1.40 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.52 0.00 0.00 53 N 8.07 4.32 0.00 2.78 2.84 0.00 0.00 6.70 6.94 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 54 K 8.16 3.86 0.00 1.92 1.93 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 55 I 7.98 3.71 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.99 0.97 0.00 0.00 56 A 8.21 4.10 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 57 E 8.36 4.00 0.00 2.00 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 2.24 2.19 0.00 58 K 7.86 4.16 0.00 1.75 2.08 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.24 1.41 7.81 59 H 7.90 4.86 0.00 3.42 3.61 0.00 5.78 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.83 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 61 Y 8.27 4.66 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.36 4.09 1.05 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.53 0.82 0.00 0.00 63 V 8.28 5.00 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 1.01 0.00 0.00 0.94 0.00 0.00 64 E 9.49 4.93 0.00 2.17 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 2.38 2.54 0.00 65 E 8.60 5.10 0.00 1.79 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 0.00 2.07 2.22 0.00 66 P 0.00 4.33 0.00 2.04 2.00 0.00 3.50 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.10 0.00 67 K 8.41 4.40 0.00 1.76 1.70 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.28 1.00 7.81 68 Q 7.53 4.73 0.00 1.49 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.04 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 69 Q 8.57 4.18 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.45 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 70 N 7.98 4.95 0.00 3.00 2.91 0.00 0.00 5.89 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 71 H 8.07 5.12 0.00 3.23 3.22 0.00 5.88 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.73 4.71 0.00 3.02 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 73 P 0.00 4.38 0.00 1.65 0.49 0.00 3.64 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.48 0.00 74 D 8.77 4.24 0.00 2.76 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 0.00 0.00 0.00 0.00 75 F 8.42 5.09 0.00 2.91 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 76 T 9.29 5.15 4.49 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 1.29 0.00 0.00 77 L 8.95 5.88 0.00 1.42 1.45 0.91 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.05 5.07 0.00 2.84 2.82 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 79 K 8.27 4.26 0.00 1.61 1.52 0.00 1.38 0.00 0.00 1.60 0.00 0.00 2.73 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.02 0.25 7.81 80 P 0.00 4.46 0.00 2.16 2.15 0.00 3.56 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 81 S 8.05 4.26 0.00 3.96 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 82 E 7.73 4.61 0.00 1.96 1.85 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 2.17 2.14 0.00 83 P 0.00 4.11 0.00 1.97 2.07 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 84 N 7.91 4.63 0.00 2.64 2.80 0.00 0.00 6.70 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 85 K 7.34 4.70 0.00 1.51 1.72 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.34 7.81 86 K 8.24 4.42 0.00 0.87 1.21 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.97 1.06 7.81 87 I 8.87 4.66 1.41 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.63 -0.46 0.00 0.00 88 A 8.57 4.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.91 4.93 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.76 1.06 0.00 0.00 90 D 9.25 5.29 0.00 2.89 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 91 I 9.32 4.88 2.06 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 1.70 1.28 1.22 0.00 0.00 92 K 9.16 4.99 0.00 1.53 1.92 0.00 1.89 0.00 0.00 1.79 0.00 0.00 3.16 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.56 7.81 93 T 8.64 5.66 4.53 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 1.85 0.00 0.00 94 T 8.83 4.67 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 95 Y 7.91 4.85 0.00 2.14 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 0.00 0.00 0.00 0.00 96 T 8.63 4.54 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 1.09 0.00 0.00 97 N 8.96 4.45 0.00 2.78 2.96 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 *102 K 7.76 4.33 0.00 1.57 1.65 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 103 I 8.90 4.77 1.49 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.42 0.77 0.00 0.00 104 K 7.85 5.24 0.00 1.88 1.93 0.00 1.51 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.46 7.81 105 F 9.75 5.07 0.00 3.08 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 0.00 106 T 8.70 4.83 4.49 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 1.27 0.00 0.00 107 L 8.87 4.55 0.00 1.50 1.77 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.43 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 0.00 109 G 8.04 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 0.00 110 Y 8.02 4.46 0.00 3.34 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 0.00 111 T 7.33 4.64 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 1.00 0.00 0.00 112 S 7.01 4.65 0.00 3.98 3.03 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 0.00 113 F 9.05 4.90 0.00 3.29 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 6.54 2.99 1.52 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.36 0.48 0.00 0.00 115 R 7.70 4.36 0.00 1.69 1.94 0.00 3.11 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 116 N 7.57 4.81 0.00 2.65 2.60 0.00 0.00 6.62 6.59 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 0.00 117 N 9.08 4.46 0.00 2.94 2.92 0.00 0.00 6.67 7.22 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 0.00 118 T 8.10 4.59 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 1.28 0.00 0.00 119 K 8.19 4.16 0.00 1.76 1.80 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.47 7.81 120 N 8.93 4.38 0.00 3.10 3.12 0.00 0.00 6.48 7.34 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 0.00 121 I 7.29 5.02 1.97 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 1.75 1.00 1.15 0.00 0.00 122 V 8.71 3.72 2.24 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 0.67 0.00 0.00 0.96 0.00 0.00 123 Y 7.57 4.84 0.00 2.98 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 0.00 124 P 0.00 4.59 0.00 2.35 2.12 0.00 3.98 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 125 F 9.80 4.47 0.00 3.21 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 0.00 126 D 8.79 4.64 0.00 2.90 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.35 4.16 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 128 Y 7.76 4.74 0.00 2.77 2.55 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 0.00 0.00 0.00 0.00 129 I 8.40 4.49 1.88 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 1.27 0.59 0.88 0.00 0.00 130 A 7.47 4.74 1.05 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 0.00 0.00 131 H 8.97 5.06 0.00 3.23 3.43 0.00 5.61 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 W 9.49 5.49 0.00 3.24 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 0.00 133 I 9.08 4.91 2.06 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 1.35 1.06 0.79 0.00 0.00 134 I 8.88 4.38 1.90 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 1.06 0.69 0.65 0.00 0.00 135 G 7.40 3.29 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 0.00 136 Y 9.07 4.99 0.00 2.87 2.40 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 0.00 137 V 9.02 4.98 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 0.92 0.00 0.00 1.23 0.00 0.00 138 Y 8.51 5.34 0.00 3.31 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 0.00 139 T 8.88 4.70 4.34 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 1.26 0.00 0.00 140 R 8.90 4.56 0.00 2.21 1.85 0.00 3.37 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.49 0.00 141 V 8.66 3.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 *147 S 8.92 4.34 0.00 4.05 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 0.00 148 L 8.58 4.77 0.00 1.63 1.51 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 149 K 7.70 4.63 0.00 1.67 1.58 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.20 7.81 150 T 7.67 4.64 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 0.77 0.00 0.00 151 Y 8.75 5.07 0.00 2.84 2.82 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 0.00 152 N 8.89 5.41 0.00 2.85 2.90 0.00 0.00 7.15 7.17 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 0.00 153 I 8.72 3.61 1.88 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 1.29 0.60 0.93 0.00 0.00 154 N 8.66 4.62 0.00 2.75 2.76 0.00 0.00 6.89 7.60 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 0.00 155 E 8.28 4.73 0.00 2.15 2.09 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 2.28 2.49 0.00 156 L 8.26 3.83 0.00 1.68 1.71 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 157 N 8.03 4.48 0.00 2.74 2.74 0.00 0.00 6.65 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 0.00 158 E 8.05 4.24 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 159 I 6.94 3.14 1.64 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.12 0.65 0.00 0.00 160 P 0.00 4.17 0.00 1.98 1.95 0.00 3.57 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 161 K 8.31 3.90 0.00 1.42 0.76 0.00 1.52 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.23 7.81 162 P 0.00 4.32 0.00 2.17 2.04 0.00 3.30 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.87 0.00 163 Y 7.17 4.96 0.00 3.39 3.16 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 0.00 164 K 8.78 4.43 0.00 1.58 1.75 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.67 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.26 7.81 165 G 7.91 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 0.00 166 V 8.32 5.02 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 0.45 0.00 0.00 0.42 0.00 0.00 167 K 9.27 4.80 0.00 1.14 0.93 0.00 0.61 0.00 0.00 1.33 0.00 0.00 2.55 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 1.06 7.81 168 V 8.44 4.80 1.50 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 0.87 0.00 0.00 0.11 0.00 0.00 169 F 8.27 5.06 0.00 2.95 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 0.00 170 L 8.40 5.13 0.00 1.39 1.27 0.69 -0.12 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 0.00 171 Q 9.05 4.51 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.76 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 172 D 8.46 5.00 0.00 2.41 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 K 9.30 3.92 0.00 1.89 1.89 0.00 1.87 0.00 0.00 1.93 0.00 0.00 3.17 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.28 1.43 7.81 174 W 8.05 2.86 0.00 3.02 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 0.00 175 V 6.38 2.46 1.62 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 0.57 0.00 0.00 -0.64 0.00 0.00 176 I 7.01 4.04 1.83 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 1.58 0.57 0.64 0.00 0.00 177 A 7.24 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 178 G 8.97 4.41 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 0.00 179 D 8.63 4.54 0.00 2.31 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 0.00 0.00 0.00 0.00 180 L 7.99 5.12 0.00 1.75 1.76 0.99 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 181 A 8.91 4.52 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 0.00 0.00 0.00 0.00 0.00 182 G 9.32 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 0.00 183 S 7.88 4.34 0.00 3.88 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 G 9.07 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 0.00 185 N 8.33 4.31 0.00 2.82 2.98 0.00 0.00 5.94 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 0.00 186 T 7.78 4.15 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 1.21 0.00 0.00 187 T 7.33 3.29 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 1.14 0.00 0.00 188 N 8.02 5.29 0.00 2.72 2.73 0.00 0.00 7.08 7.29 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 0.00 189 I 8.73 2.72 1.50 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.17 0.25 0.00 0.00 190 G 8.32 4.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 S 8.65 5.24 0.00 4.43 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 0.00 192 I 8.42 3.91 1.70 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.05 0.85 0.00 0.00 193 H 8.77 5.13 0.00 3.19 3.29 0.00 5.72 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 A 8.72 4.63 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 0.00 195 H 8.66 4.75 0.00 3.25 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 Y 9.20 4.44 0.00 3.11 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 K 8.27 3.87 0.00 1.80 1.81 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.11 7.81 198 D 8.30 4.55 0.00 2.68 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 F 7.74 3.53 0.00 2.57 1.53 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 0.00 200 V 6.77 3.23 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 0.69 0.00 0.00 0.35 0.00 0.00 201 E 8.26 3.97 0.00 1.89 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 202 G 7.14 3.60 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 0.00 203 K 7.89 4.13 0.00 1.80 1.65 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.45 1.25 7.81 204 G 7.69 4.18 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 0.00 0.00 0.00 205 I 8.03 4.32 1.60 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 -0.11 0.76 0.00 0.00 206 F 8.00 4.78 0.00 3.50 3.41 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 0.00 207 D 9.61 4.68 0.00 2.79 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 0.00 208 S 7.58 3.95 0.00 3.73 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 0.00 209 E 7.08 3.33 0.00 1.16 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 2.38 2.38 0.00 210 D 7.71 4.27 0.00 2.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 E 8.14 4.04 0.00 2.24 2.24 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 2.60 2.71 0.00 212 F 7.85 2.39 0.00 2.64 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 0.00 213 L 7.94 3.41 0.00 1.77 1.66 1.14 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 214 D 8.04 4.32 0.00 3.01 2.82 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 0.00 215 Y 7.78 3.20 0.00 2.36 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 W 7.59 4.09 0.00 2.92 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 R 8.08 4.20 0.00 1.81 1.99 0.00 3.16 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 218 N 7.34 4.81 0.00 2.66 2.47 0.00 0.00 6.92 7.35 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 0.00 219 Y 7.23 3.26 0.00 2.26 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 0.00 0.00 0.00 0.00 220 E 7.28 4.13 0.00 1.53 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.09 0.00 221 R 8.82 4.69 0.00 1.84 2.08 0.00 3.22 0.00 0.00 3.95 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 222 T 7.36 4.76 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 1.22 0.00 0.00 223 S 8.64 4.05 0.00 3.86 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 0.00 224 Q 8.19 4.03 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 7.07 0.00 0.00 0.00 0.00 0.00 2.29 2.01 0.00 225 L 7.23 4.27 0.00 1.87 1.62 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 226 R 8.01 3.88 0.00 1.77 1.84 0.00 2.21 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.47 0.00 227 N 8.12 4.45 0.00 2.85 2.81 0.00 0.00 6.92 7.20 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 *229 K 7.59 4.23 0.00 1.48 1.14 0.00 1.58 0.00 0.00 1.07 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.36 1.17 7.81 230 Y 6.01 4.93 0.00 2.97 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 0.00 231 N 9.19 4.83 0.00 2.85 2.88 0.00 0.00 6.76 7.62 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 0.00 232 N 7.81 5.19 0.00 3.17 2.98 0.00 0.00 6.37 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 I 9.13 3.75 1.55 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.21 0.81 0.00 0.00 234 S 8.13 4.16 0.00 4.10 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 0.00 235 E 8.93 4.13 0.00 2.30 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 0.00 2.40 2.64 0.00 236 Y 8.15 3.52 0.00 2.16 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 0.00 237 R 8.31 3.68 0.00 2.07 1.98 0.00 3.25 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.99 0.00 238 N 8.07 4.39 0.00 2.98 3.04 0.00 0.00 6.74 7.30 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 0.00 239 W 8.41 4.22 0.00 3.56 3.31 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 0.00 240 I 7.84 3.22 1.88 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.27 0.79 0.00 0.00 241 Y 7.60 4.01 0.00 2.92 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 0.00 242 R 7.93 3.71 0.00 1.87 1.83 0.00 3.24 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.99 0.00 243 G 7.39 3.50 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 0.00 244 R 6.93 2.00 0.00 1.46 1.06 0.00 3.02 0.00 0.00 3.06 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.97 0.00 245 K 6.87 4.18 0.00 1.79 1.59 0.00 1.52 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.27 1.32 7.81 * Residues marked with a * may have inaccurate shift predictions.