NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2854 7.8827 121.4435 61.2121 38.7002 173.7894 17 V 4.3746 8.4569 125.7783 61.6060 32.9513 174.1622 18 G 3.6922 8.9580 114.7621 46.8251 0.0000 172.9911 19 G 4.3872 7.9085 110.9407 43.7812 0.0000 172.2679 20 Y 4.9657 7.6445 116.8565 55.2285 42.3186 174.7363 21 T 4.3507 8.5764 116.8101 63.8704 68.5147 175.4870 22 C 4.3618 8.7313 125.3721 61.2700 35.0945 174.1207 23 G 4.1565 8.5813 105.8700 43.3928 0.0000 173.0446 24 A 4.2580 8.6426 125.7349 53.6622 18.7290 177.1869 25 N 4.1951 8.7155 120.3966 54.5211 36.2854 175.1320 26 T 4.2949 7.5557 106.4052 62.1534 70.1458 175.1565 27 V 4.0600 6.9739 122.0691 60.2654 31.3230 173.6543 28 P 4.5354 0.0000 0.0000 63.7456 32.0634 178.1080 29 Y 5.1359 6.8602 115.8462 56.4929 38.7656 174.5958 30 Q 4.6437 7.3555 123.4405 56.1226 29.6943 175.1330 31 V 4.8523 8.8570 125.2886 61.1542 35.6315 173.7202 32 S 4.8661 8.8333 119.1146 56.4278 65.1347 172.4941 33 L 4.7062 8.6915 127.4736 53.2036 43.4948 174.9416 34 N 5.9526 9.0420 122.6642 50.0662 41.9511 174.9958 *37 S 5.0822 7.8789 120.3090 58.7367 64.1872 174.3665 38 G 3.9890 9.0745 109.1254 46.6609 0.0000 173.1653 39 Y 4.5295 6.3967 115.2825 56.1613 40.1066 172.6894 40 H 4.6855 8.8306 121.5086 56.1056 30.3533 174.7169 41 F 5.0735 8.0333 119.9386 56.9065 39.7891 173.8141 42 C 4.7308 6.8816 115.1271 56.0867 44.9344 172.9483 43 G 4.4783 8.6400 108.8992 45.1963 0.0000 172.0434 44 G 4.5524 7.7712 104.2666 46.4036 0.0000 172.5113 45 S 5.5402 8.8345 115.2571 56.4660 66.8676 173.6025 46 L 4.7863 9.1808 127.0500 54.6049 42.5305 177.0990 47 I 4.3634 8.4563 119.6042 61.0026 38.9268 174.6234 48 N 4.4327 7.6303 117.3666 52.1423 39.0892 175.2379 49 S 4.2005 8.4253 112.7704 60.7370 62.9894 175.5214 50 Q 4.5191 8.1993 117.6327 55.1682 30.0929 174.4943 51 W 5.5444 8.1292 118.1723 54.8094 33.5932 174.4068 52 V 5.1189 9.1992 122.6576 61.0868 34.7678 174.4021 53 V 4.9600 8.6886 125.8182 60.4639 34.0900 174.8416 54 S 5.1181 9.0105 117.1552 57.7072 66.1209 171.9662 55 A 4.7588 8.5221 120.3042 50.6511 20.5951 178.5067 56 A 3.8826 8.2398 124.0776 55.0913 18.5273 179.0717 57 H 4.5755 8.4254 109.5137 57.1188 28.6571 175.2219 58 C 4.7866 7.7614 117.1145 56.8851 40.5011 173.2735 59 Y 4.2880 7.7020 122.2097 57.8492 38.7763 175.2846 60 K 3.8986 7.1775 123.9556 55.3234 36.2077 174.7708 61 S 4.4126 7.9436 114.8696 57.7877 64.3298 173.3565 62 G 3.5983 8.4617 111.2223 46.4569 0.0000 173.3994 63 I 4.6165 7.2716 118.5956 59.5403 40.1664 175.9980 64 Q 4.7985 8.4617 126.3386 54.2403 32.2869 173.8583 65 V 4.4380 8.9904 126.4936 61.4938 33.7410 174.4889 66 R 5.2921 8.8720 126.9351 54.6550 32.7045 174.9984 67 L 4.7630 9.2421 124.6871 52.7283 44.7819 177.1984 *69 G 4.4711 8.2415 106.3790 46.3368 0.0000 172.7184 70 E 4.6507 8.4497 118.8336 55.3479 30.4142 174.3027 71 D 4.7627 7.8637 117.6449 55.0493 43.7264 173.9991 72 N 5.1035 8.9993 116.9879 53.0121 39.5485 176.0701 73 I 3.9447 8.6810 119.5218 61.7990 37.9560 176.0536 74 N 4.7961 8.8009 118.0338 53.0447 39.5080 174.6752 75 V 4.3000 7.3637 117.1273 60.6576 34.0869 174.9801 76 V 4.0992 8.4569 127.0128 62.6976 31.0173 175.2177 77 E 4.3411 9.2186 127.2775 56.0696 29.8529 176.9260 78 G 4.0747 8.1954 107.6084 45.2989 0.0000 174.3290 79 N 4.9146 8.1201 115.7315 53.1828 39.7995 174.5718 80 E 5.0397 7.9766 117.8114 55.3600 31.9936 175.6214 81 Q 4.3132 8.7713 119.5936 54.3639 32.9230 174.1273 82 F 5.6576 8.7980 122.8906 55.9377 41.1698 175.1375 83 I 4.7018 9.0652 124.6769 59.5068 41.0547 175.5932 84 S 4.7923 8.6963 121.9082 58.1899 64.3810 173.1695 85 A 4.6929 8.2610 124.2770 51.8646 18.7153 177.6892 86 S 4.6256 8.8881 115.9723 59.5597 64.7661 174.6233 87 K 4.6645 7.5239 117.2376 55.6619 35.4549 174.6770 88 S 5.2724 8.7744 116.1894 56.7289 65.7147 173.3081 89 I 4.6427 9.1204 126.4180 59.6465 40.2716 174.6969 90 V 4.2299 8.4499 127.4284 61.8880 32.8525 175.1358 91 H 3.5173 8.5165 126.6908 55.9184 29.9381 174.1913 92 P 4.2350 0.0000 0.0000 65.4811 30.9712 177.0477 93 S 4.7008 7.6297 112.4985 58.0066 63.1337 173.1833 94 Y 4.2954 7.9614 123.0232 57.6688 38.9932 174.4404 95 N 4.3883 8.0709 125.9021 51.3923 39.6378 175.0417 96 S 3.9074 7.7694 120.0563 59.3604 63.4941 174.9571 97 N 4.4385 8.2186 118.9198 54.9494 38.8364 176.0468 98 T 3.9835 7.6647 105.5579 60.6779 70.0670 174.9044 99 L 3.7186 7.7593 120.7589 55.4459 39.6632 173.9114 100 N 4.4842 7.6122 117.8199 54.6074 39.5827 174.5019 101 N 4.6087 8.6830 119.6806 54.3034 35.7301 175.6858 102 D 4.7149 7.9405 117.7410 52.9440 39.8710 174.7366 103 I 4.8037 7.1662 120.9554 59.4793 42.1808 172.6765 104 M 5.4150 9.1932 126.4582 54.3108 36.3748 173.1621 105 L 5.4380 9.1993 123.3382 53.1108 45.1545 175.5141 106 I 5.0521 9.1657 123.4795 59.4739 40.7442 174.2722 107 K 3.9476 8.6978 128.5139 54.4371 33.9949 175.2962 108 L 4.6316 7.9270 126.7414 53.8712 42.3122 177.3151 109 K 4.1232 8.8627 122.2971 58.8810 32.4649 177.6573 110 S 4.6857 7.7671 112.8807 56.1219 66.6036 173.2176 111 A 4.4810 8.2923 123.6060 51.7450 19.0435 177.4342 112 A 4.3848 8.7371 123.1789 51.8230 19.9429 177.0456 113 S 4.7061 8.9516 116.0276 56.9398 64.2317 174.5510 114 L 4.6203 8.5332 125.3139 54.1524 42.6221 176.2301 115 N 4.8129 8.7801 118.7724 52.6438 39.4664 174.9752 116 S 3.9343 8.7442 112.6124 61.8883 62.9588 175.5111 117 R 4.1442 8.9804 119.0667 56.9255 30.5307 175.9413 118 V 4.4526 7.7339 117.0509 60.8772 33.2761 173.7760 119 A 5.1893 8.6327 128.4502 50.3386 23.0237 174.9044 120 S 5.1435 8.6843 113.8412 57.3613 65.2949 173.0359 121 I 4.4972 8.2950 120.6731 59.1966 40.0523 175.3481 122 S 4.4579 8.3455 123.1026 57.9410 63.7954 173.9831 123 L 4.3144 8.0962 123.4389 53.2780 42.5356 175.1946 124 P 4.5320 0.0000 0.0000 62.9462 32.3818 176.2286 125 T 4.1175 8.2414 108.9609 62.6891 69.9586 174.6520 *127 S 4.8611 7.5491 114.3553 58.0926 64.0595 173.6114 128 C 4.4747 8.3481 117.3479 56.2401 40.8892 173.6798 129 A 4.4397 7.9342 124.7411 51.3765 19.7184 177.5531 130 S 4.2393 8.0755 115.3381 57.7280 64.1150 173.7078 *132 A 4.1765 8.2303 124.8933 53.5206 19.3239 176.4550 133 G 4.0598 8.8941 110.0968 45.6201 0.0000 174.6487 134 T 4.0215 7.8525 116.7650 63.7386 69.5318 173.7421 135 Q 4.7621 8.5386 124.4536 55.3401 30.2247 175.5962 136 C 5.2644 9.2970 119.9927 55.0435 45.3113 172.3200 137 L 5.2179 8.9867 122.0709 53.4776 44.3692 175.0288 138 I 5.3378 9.0837 126.9132 58.7276 40.3091 174.7701 139 S 4.9250 8.8095 119.3301 56.3189 66.5525 173.0671 140 G 3.8555 7.3853 108.8062 46.1208 0.0000 172.7617 141 W 4.5787 8.6154 117.2795 56.2745 29.4956 177.0521 142 G 4.0928 8.3377 108.9478 43.9799 0.0000 173.5972 143 N 3.5350 7.9989 117.8403 54.2260 38.9290 174.5096 144 T 4.9247 8.1249 112.1611 60.3622 69.6095 174.0444 145 K 4.6205 7.8153 121.6141 54.7302 34.7729 176.2151 146 S 4.2476 8.8430 118.6379 61.3211 63.6076 175.5656 147 S 4.5907 8.6925 118.7742 53.3121 61.5871 173.2195 148 G 4.1330 6.8148 111.6499 45.2752 0.0000 169.0644 149 T 4.8404 7.7571 115.2940 61.7404 71.8197 174.3918 150 S 4.5025 9.4552 121.2749 57.7728 66.0861 172.2819 151 Y 4.7825 8.7735 125.6782 55.6099 39.3185 174.2300 152 P 4.6901 0.0000 0.0000 62.6575 32.8936 175.4279 153 D 4.9010 8.6511 117.5480 54.8025 42.6849 176.5874 154 V 5.5445 7.6998 110.2530 58.1922 34.8685 175.4202 155 L 3.2326 8.2575 123.9852 55.0573 43.0044 176.0110 156 K 4.9137 8.2278 124.9260 54.8211 35.3431 174.5083 157 C 5.2964 8.4636 119.5336 55.2445 44.0021 172.9651 158 L 4.8279 8.4995 121.9155 54.0347 45.5665 174.1850 159 K 5.1549 8.9504 125.5123 55.0661 33.8584 175.6348 160 A 4.9852 9.2460 125.4303 49.9496 23.1838 173.5106 161 P 5.0667 0.0000 0.0000 61.6798 34.0710 175.0718 162 I 4.2657 8.3916 122.3314 61.4116 38.1872 175.7179 163 L 4.9227 8.5484 126.6646 52.8891 43.9460 176.7785 164 S 4.3424 7.9981 115.3093 58.3067 63.7433 175.4636 165 D 4.5027 8.6418 121.8575 57.2048 40.4749 179.2351 166 S 4.2120 8.0438 115.1833 61.4439 63.0166 176.5516 167 S 4.4740 7.9992 118.8573 60.3925 62.9274 175.7179 168 C 4.3084 8.1153 121.7922 59.7198 43.2870 175.8011 169 K 4.0431 8.3766 119.3025 59.4017 32.0242 179.3365 170 S 4.2548 8.4627 114.4447 61.0765 62.6787 176.3546 171 A 3.9783 7.6078 123.9715 53.4586 19.7414 177.1416 172 Y 4.8637 7.5849 113.9817 55.2319 38.2860 172.4407 173 P 4.5602 0.0000 0.0000 63.7147 32.3152 177.0001 174 G 4.0018 9.0155 109.8374 46.3166 0.0000 173.8326 175 Q 4.5792 8.2312 116.9568 55.2128 30.6651 175.5743 176 I 4.5092 7.8474 119.1581 59.7624 38.8801 174.9966 177 T 4.6686 8.1521 114.5564 59.4445 71.2326 174.8049 178 S 4.3814 8.5688 114.6049 60.2134 63.2365 174.3069 179 N 4.9620 8.2485 118.7849 53.3815 38.5121 173.8559 180 M 5.6079 7.8909 116.8748 53.8521 36.3350 174.4656 181 F 5.1001 8.8292 114.8613 55.9153 42.1250 172.4283 182 C 5.5762 9.0375 116.2660 55.5841 42.6359 172.7515 183 A 4.9569 9.2519 122.1321 50.8006 22.4085 175.8386 184A G 3.9314 6.7525 107.4898 44.8053 0.0000 172.5491 184 Y 4.6781 8.2618 119.2921 56.1491 41.5305 176.3299 185 L 4.1264 8.6733 124.9031 57.1489 42.0863 178.8740 186 E 4.1512 8.1919 115.6511 57.4348 29.9865 176.9415 187 G 3.7718 7.4703 105.6884 44.6356 0.0000 171.0831 188A G 4.2874 9.0381 107.0348 44.6752 0.0000 174.2740 188 K 4.9041 7.1544 117.1581 54.4865 35.1435 175.2493 189 D 4.6144 8.6660 122.9452 54.0573 45.7391 174.6553 190 S 5.0783 8.6618 116.6953 57.8402 65.5440 172.7524 191 C 4.7495 9.2162 119.0088 55.3967 48.0256 172.3663 192 Q 4.3470 8.5368 118.7735 57.9659 28.2265 176.7708 193 G 4.3119 8.4838 109.0828 46.1438 0.0000 174.4972 194 D 4.6516 8.6412 118.7703 55.6210 41.6516 176.5631 195 S 4.4184 8.0250 114.8468 60.1174 63.4193 175.6598 196 G 4.2532 8.8549 112.7381 46.4392 0.0000 173.6959 197 G 4.4942 7.8577 107.6581 44.8485 0.0000 171.2044 198 P 5.0527 0.0000 0.0000 62.4231 33.4729 175.8965 199 V 4.6032 8.4221 120.9587 61.5216 34.4746 173.9417 200 V 4.8566 8.8543 129.0034 61.2441 34.0587 173.6961 201 C 5.1261 8.7195 124.4741 55.7967 44.0502 174.5376 202 S 3.3187 9.8880 119.2463 59.6940 60.1679 173.3995 203 G 3.9309 8.5065 104.9560 45.5208 0.0000 174.0240 204 K 4.7370 7.5945 117.9367 53.0654 35.2266 175.4668 *209 L 4.2997 8.2579 122.5081 55.4739 42.1386 175.8954 210 Q 4.5507 8.8596 125.8095 56.4943 30.9294 175.7415 211 G 5.3773 8.0066 104.6351 45.8234 0.0000 171.4208 212 I 5.0544 8.1968 119.3052 58.9212 41.3189 175.2679 213 V 3.6968 8.8571 127.2239 63.9545 31.7960 174.2421 214 S 4.9012 8.4508 120.8480 58.7843 64.3729 174.3904 215 W 4.9476 7.3497 114.5732 56.7022 31.7351 172.1319 216 G 3.6894 8.1779 105.5264 47.0906 0.0000 172.0667 217 S 4.7460 8.2539 114.7342 56.5557 63.3025 172.3718 *219 G 4.4696 8.0854 118.7125 45.6193 0.0000 171.4045 220 C 4.9562 8.2265 117.0995 56.5826 44.9938 173.7449 221A A 4.0144 9.0088 125.5558 53.2053 16.5699 177.0850 221 Q 4.5667 7.2861 116.9404 56.1342 29.9531 175.9286 222 K 4.1472 8.4174 121.7607 57.8827 32.7602 176.0791 223 N 4.2614 9.2034 121.4341 54.1144 37.0628 175.3538 224 K 4.3363 7.4886 116.3869 53.7711 32.1865 173.7134 225 P 4.5982 0.0000 0.0000 62.2084 33.2059 177.4875 226 G 3.7128 8.4509 106.1288 45.9945 0.0000 172.7550 227 V 4.4473 7.7423 121.8315 60.6821 33.9865 174.1046 228 Y 4.9068 8.3316 124.6465 56.0151 41.8285 175.0404 229 T 4.3993 8.5199 119.4381 63.5512 70.2193 174.4538 230 K 5.1676 9.2719 128.0173 55.1763 31.3181 177.0399 231 V 3.9737 8.7020 125.8828 65.9841 31.3614 174.8726 232 C 4.3137 8.3488 112.4995 58.2684 41.4589 174.8973 233 N 4.2397 8.0046 117.0425 54.5220 38.4659 175.1348 234 Y 4.8285 7.8592 117.6529 57.6547 39.0704 177.6558 235 V 3.6613 8.0378 121.9065 66.2921 31.5437 178.1591 236 S 4.1312 8.0814 114.3871 61.2873 62.7263 176.2522 237 W 4.1493 8.2786 130.5452 60.4697 30.4055 177.8528 238 I 2.9786 8.2401 119.9718 64.1938 36.4857 178.4589 239 K 3.7089 8.2122 119.6066 59.5764 31.6473 179.2354 240 Q 3.8561 7.8484 118.6925 59.2832 29.1085 178.0966 241 T 3.7606 7.5038 117.0919 66.4271 68.3051 176.9666 242 I 2.4774 7.2580 115.0084 63.3429 37.1393 178.0473 243 A 4.0250 7.4110 121.3627 54.0149 18.2115 178.6691 244 S 4.6685 7.2232 111.5942 58.3475 63.2843 174.0656 245 N 4.7124 7.9286 125.6419 53.5958 39.4462 174.1287 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 16 I 7.88 4.29 1.78 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 1.43 1.11 0.90 0.00 0.00 17 V 8.46 4.37 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 1.02 0.00 0.00 0.88 0.00 0.00 18 G 8.96 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.91 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 0.00 0.00 0.00 0.00 20 Y 7.64 4.97 0.00 3.01 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 21 T 8.58 4.35 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 1.22 0.00 0.00 22 C 8.73 4.36 0.00 2.75 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 23 G 8.58 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 0.00 0.00 0.00 24 A 8.64 4.26 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 25 N 8.72 4.20 0.00 2.85 2.89 0.00 0.00 7.26 7.58 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 26 T 7.56 4.29 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 1.29 0.00 0.00 27 V 6.97 4.06 1.72 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 0.27 0.00 0.00 0.76 0.00 0.00 28 P 0.00 4.54 0.00 2.36 2.38 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.95 0.00 29 Y 6.86 5.14 0.00 3.23 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.36 4.64 0.00 1.82 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.51 0.00 0.00 0.00 0.00 0.00 1.88 2.45 0.00 31 V 8.86 4.85 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 0.88 0.00 0.00 1.10 0.00 0.00 32 S 8.83 4.87 0.00 3.04 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 33 L 8.69 4.71 0.00 0.51 0.99 0.79 0.28 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 N 9.04 5.95 0.00 2.43 2.48 0.00 0.00 6.59 7.49 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 *37 S 7.88 5.08 0.00 3.71 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 38 G 9.07 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 39 Y 6.40 4.53 0.00 3.09 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 40 H 8.83 4.69 0.00 2.84 3.16 0.00 5.86 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 41 F 8.03 5.07 0.00 3.07 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 42 C 6.88 4.73 0.00 2.23 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 43 G 8.64 4.48 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 0.00 44 G 7.77 4.55 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 0.00 0.00 0.00 45 S 8.83 5.54 0.00 3.82 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 46 L 9.18 4.79 0.00 1.86 1.80 1.08 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.46 4.36 1.90 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 1.55 0.96 1.01 0.00 0.00 48 N 7.63 4.43 0.00 2.93 2.98 0.00 0.00 6.47 7.91 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 49 S 8.43 4.20 0.00 4.19 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 50 Q 8.20 4.52 0.00 2.10 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 51 W 8.13 5.54 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.20 5.12 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 1.17 0.00 0.00 0.99 0.00 0.00 53 V 8.69 4.96 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 0.70 0.00 0.00 1.02 0.00 0.00 54 S 9.01 5.12 0.00 3.89 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.52 4.76 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 56 A 8.24 3.88 0.28 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 H 8.43 4.58 0.00 3.37 3.57 0.00 5.55 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.76 4.79 0.00 3.23 3.32 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 59 Y 7.70 4.29 0.00 2.96 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 60 K 7.18 3.90 0.00 1.36 1.24 0.00 0.61 0.00 0.00 1.02 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.90 0.75 7.81 61 S 7.94 4.41 0.00 3.72 3.63 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 62 G 8.46 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 63 I 7.27 4.62 1.88 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 1.43 1.10 0.93 0.00 0.00 64 Q 8.46 4.80 0.00 2.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.93 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 65 V 8.99 4.44 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.91 0.00 0.00 66 R 8.87 5.29 0.00 1.59 1.86 0.00 2.65 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.24 0.00 67 L 9.24 4.76 0.00 1.59 1.61 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 *69 G 8.24 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.45 4.65 0.00 2.21 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 2.41 2.14 0.00 71 D 7.86 4.76 0.00 2.76 2.70 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 0.00 0.00 0.00 72 N 9.00 5.10 0.00 2.84 2.79 0.00 0.00 7.23 7.48 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 73 I 8.68 3.94 1.45 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.55 -0.44 0.00 0.00 74 N 8.80 4.80 0.00 2.80 2.87 0.00 0.00 6.58 7.94 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 75 V 7.36 4.30 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 0.74 0.00 0.00 1.00 0.00 0.00 76 V 8.46 4.10 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 0.78 0.00 0.00 1.04 0.00 0.00 77 E 9.22 4.34 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 78 G 8.20 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 0.00 0.00 0.00 79 N 8.12 4.91 0.00 2.65 2.80 0.00 0.00 7.11 7.67 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 80 E 7.98 5.04 0.00 1.24 1.55 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 2.67 2.58 0.00 81 Q 8.77 4.31 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 82 F 8.80 5.66 0.00 2.79 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 83 I 9.07 4.70 1.88 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 1.24 0.85 0.95 0.00 0.00 84 S 8.70 4.79 0.00 3.76 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 85 A 8.26 4.69 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.89 4.63 0.00 3.76 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 87 K 7.52 4.66 0.00 1.86 1.90 0.00 1.46 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.48 7.81 88 S 8.77 5.27 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 89 I 9.12 4.64 2.09 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 1.26 0.78 1.17 0.00 0.00 90 V 8.45 4.23 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 0.60 0.00 0.00 0.75 0.00 0.00 91 H 8.52 3.52 0.00 2.85 3.06 0.00 5.66 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.24 0.00 2.14 2.17 0.00 2.72 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 1.50 1.87 0.00 93 S 7.63 4.70 0.00 3.94 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.96 4.30 0.00 2.95 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 95 N 8.07 4.39 0.00 2.58 2.44 0.00 0.00 6.54 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 96 S 7.77 3.91 0.00 3.98 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 97 N 8.22 4.44 0.00 2.75 2.78 0.00 0.00 6.78 7.03 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 98 T 7.66 3.98 4.10 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 1.09 0.00 0.00 99 L 7.76 3.72 0.00 1.40 1.88 0.88 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.61 4.48 0.00 2.73 2.64 0.00 0.00 7.28 6.58 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 0.00 101 N 8.68 4.61 0.00 3.08 2.66 0.00 0.00 7.26 8.29 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 0.00 102 D 7.94 4.71 0.00 3.09 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.17 4.80 1.52 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 1.42 1.29 0.09 0.00 0.00 104 M 9.19 5.41 0.00 2.12 1.83 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.66 0.00 105 L 9.20 5.44 0.00 1.76 1.81 0.04 0.80 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 0.00 106 I 9.17 5.05 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.97 0.90 0.00 0.00 107 K 8.70 3.95 0.00 0.79 1.06 0.00 1.32 0.00 0.00 1.35 0.00 0.00 2.62 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.70 0.21 7.81 108 L 7.93 4.63 0.00 1.52 1.54 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.86 4.12 0.00 1.67 1.83 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.37 7.81 110 S 7.77 4.69 0.00 3.78 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.29 4.48 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 0.00 112 A 8.74 4.38 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 0.00 113 S 8.95 4.71 0.00 3.73 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.53 4.62 0.00 1.65 1.61 0.95 1.05 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 0.00 115 N 8.78 4.81 0.00 2.87 2.92 0.00 0.00 6.86 7.18 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 0.00 116 S 8.74 3.93 0.00 3.89 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 0.00 117 R 8.98 4.14 0.00 1.94 1.97 0.00 3.15 0.00 0.00 3.11 7.39 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.55 4.86 0.00 4.00 3.95 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 0.00 128 C 8.35 4.47 0.00 2.93 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 0.00 129 A 7.93 4.44 1.11 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 0.00 130 S 8.08 4.24 0.00 3.84 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 *132 A 8.23 4.18 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 0.00 133 G 8.89 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 0.00 134 T 7.85 4.02 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 1.15 0.00 0.00 135 Q 8.54 4.76 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 136 C 9.30 5.26 0.00 2.71 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 0.00 137 L 8.99 5.22 0.00 1.75 1.55 1.04 1.04 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 0.00 138 I 9.08 5.34 1.87 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 0.78 1.59 0.99 0.00 0.00 139 S 8.81 4.92 0.00 3.52 3.61 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 0.00 140 G 7.39 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 0.00 141 W 8.62 4.58 0.00 3.19 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 0.00 142 G 8.34 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 0.00 143 N 8.00 3.54 0.00 2.17 2.57 0.00 0.00 7.33 7.27 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 0.00 144 T 8.12 4.92 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 1.26 0.00 0.00 145 K 7.82 4.62 0.00 1.78 1.72 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.29 1.31 7.81 146 S 8.84 4.25 0.00 3.98 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 0.00 147 S 8.69 4.59 0.00 3.86 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 0.00 148 G 6.81 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 0.00 0.00 0.00 149 T 7.76 4.84 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 150 S 9.46 4.50 0.00 3.83 3.64 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 0.00 151 Y 8.77 4.78 0.00 2.95 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 0.00 152 P 0.00 4.69 0.00 2.42 2.07 0.00 4.03 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 2.13 2.00 0.00 153 D 8.65 4.90 0.00 2.69 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 5.54 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 1.09 0.00 0.00 0.97 0.00 0.00 155 L 8.26 3.23 0.00 1.29 1.22 -0.82 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.23 4.91 0.00 1.65 1.48 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.45 7.81 157 C 8.46 5.30 0.00 1.45 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 0.00 0.00 0.00 158 L 8.50 4.83 0.00 1.70 1.44 1.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.95 5.15 0.00 1.81 1.81 0.00 1.86 0.00 0.00 1.77 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.64 7.81 160 A 9.25 4.99 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 P 0.00 5.07 0.00 2.03 2.10 0.00 3.15 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 162 I 8.39 4.27 1.89 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.57 0.80 0.00 0.00 163 L 8.55 4.92 0.00 1.55 1.60 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.00 4.34 0.00 4.01 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 0.00 165 D 8.64 4.50 0.00 2.74 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 S 8.04 4.21 0.00 4.06 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 0.00 167 S 8.00 4.47 0.00 4.10 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 0.00 168 C 8.12 4.31 0.00 3.24 3.40 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 0.00 169 K 8.38 4.04 0.00 1.84 1.92 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.61 7.81 170 S 8.46 4.25 0.00 4.03 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 0.00 171 A 7.61 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 7.58 4.86 0.00 3.19 3.13 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 0.00 173 P 0.00 4.56 0.00 2.08 2.03 0.00 3.87 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.23 0.00 174 G 9.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 8.23 4.58 0.00 2.48 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 6.38 0.00 0.00 0.00 0.00 0.00 2.28 2.58 0.00 176 I 7.85 4.51 1.98 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 1.87 0.97 0.99 0.00 0.00 177 T 8.15 4.67 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 178 S 8.57 4.38 0.00 4.01 4.05 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 0.00 179 N 8.25 4.96 0.00 3.12 3.10 0.00 0.00 6.63 7.89 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 0.00 180 M 7.89 5.61 0.00 1.83 1.98 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.61 0.00 181 F 8.83 5.10 0.00 3.06 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 C 9.04 5.58 0.00 2.96 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 0.00 183 A 9.25 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184A G 6.75 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 0.00 0.00 0.00 184 Y 8.26 4.68 0.00 3.05 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 0.00 185 L 8.67 4.13 0.00 1.74 1.90 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.19 4.15 0.00 2.10 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 0.00 2.37 2.32 0.00 187 G 7.47 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188A G 9.04 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 0.00 188 K 7.15 4.90 0.00 1.58 1.76 0.00 0.72 0.00 0.00 1.30 0.00 0.00 2.28 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.25 7.81 189 D 8.67 4.61 0.00 2.80 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.66 5.08 0.00 3.99 4.05 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 0.00 191 C 9.22 4.75 0.00 2.93 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 0.00 192 Q 8.54 4.35 0.00 2.42 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 5.42 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 193 G 8.48 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 0.00 194 D 8.64 4.65 0.00 3.00 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 0.00 195 S 8.02 4.42 0.00 3.95 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 0.00 196 G 8.85 4.25 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 0.00 197 G 7.86 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 0.00 0.00 0.00 0.00 198 P 0.00 5.05 0.00 2.32 2.36 0.00 3.71 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 199 V 8.42 4.60 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.78 0.00 0.00 200 V 8.85 4.86 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 0.83 0.00 0.00 0.59 0.00 0.00 201 C 8.72 5.13 0.00 2.80 2.84 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 0.00 202 S 9.89 3.32 0.00 3.93 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 G 8.51 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 0.00 0.00 0.00 204 K 7.59 4.74 0.00 1.73 1.64 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.40 7.81 *209 L 8.26 4.30 0.00 1.51 1.64 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 8.86 4.55 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.45 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 211 G 8.01 5.38 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 0.00 212 I 8.20 5.05 1.93 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 1.30 1.03 1.02 0.00 0.00 213 V 8.86 3.70 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 0.92 0.00 0.00 1.22 0.00 0.00 214 S 8.45 4.90 0.00 3.89 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 0.00 215 W 7.35 4.95 0.00 3.33 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 0.00 216 G 8.18 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 S 8.25 4.75 0.00 4.24 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 *219 G 8.09 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 C 8.23 4.96 0.00 2.95 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 221A A 9.01 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 Q 7.29 4.57 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 222 K 8.42 4.15 0.00 1.72 1.71 0.00 1.93 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.57 7.81 223 N 9.20 4.26 0.00 2.79 2.80 0.00 0.00 6.76 7.46 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 0.00 224 K 7.49 4.34 0.00 1.78 1.79 0.00 1.72 0.00 0.00 1.28 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.49 7.81 225 P 0.00 4.60 0.00 2.13 2.10 0.00 3.63 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 2.07 1.99 0.00 226 G 8.45 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 0.00 227 V 7.74 4.45 0.67 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 0.34 0.00 0.00 -0.64 0.00 0.00 228 Y 8.33 4.91 0.00 1.43 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 T 8.52 4.40 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 1.23 0.00 0.00 230 K 9.27 5.17 0.00 2.16 1.94 0.00 1.84 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.64 7.81 231 V 8.70 3.97 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.13 0.00 0.00 232 C 8.35 4.31 0.00 3.17 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 0.00 233 N 8.00 4.24 0.00 2.40 2.40 0.00 0.00 6.93 7.01 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 0.00 234 Y 7.86 4.83 0.00 3.17 3.32 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 0.00 235 V 8.04 3.66 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.10 0.00 0.00 236 S 8.08 4.13 0.00 3.97 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 0.00 237 W 8.28 4.15 0.00 3.49 3.63 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 0.00 238 I 8.24 2.98 1.99 0.00 0.00 1.00 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 1.02 0.72 0.00 0.00 239 K 8.21 3.71 0.00 1.68 1.78 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.58 7.81 240 Q 7.85 3.86 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 241 T 7.50 3.76 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 242 I 7.26 2.48 0.60 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.76 -0.40 0.00 0.00 243 A 7.41 4.03 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 244 S 7.22 4.67 0.00 3.74 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 0.00 245 N 7.93 4.71 0.00 2.98 3.05 0.00 0.00 6.94 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 * Residues marked with a * may have inaccurate shift predictions.