NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4818 8.2893 120.3269 55.6235 33.3558 174.4723 2 M 4.2893 7.9709 118.1803 54.3038 33.3120 170.5679 3 E 4.6915 9.5575 120.4290 54.6044 33.5460 177.3729 4 Q 4.3443 8.2186 121.4996 54.7379 30.8938 177.2525 5 V 3.3274 8.4331 124.2230 66.3421 31.2325 177.9647 6 C 4.2152 7.9443 113.6438 61.1698 29.2780 175.4812 7 D 4.2355 7.8142 120.9873 56.7350 40.3413 178.7488 8 V 3.0472 7.1923 118.2721 65.7222 31.3889 176.7628 9 F 4.7671 7.4982 114.0699 55.9592 39.7763 175.6446 10 D 4.0528 7.2432 120.0766 55.1675 38.5192 172.7414 11 I 4.5772 7.3427 119.8978 60.4944 39.2528 176.4395 12 Y 5.4279 9.4125 124.0342 56.1004 42.5451 174.2145 13 A 5.4127 9.1801 121.6442 50.4267 22.5095 175.1379 14 I 5.5183 8.6237 119.4284 59.7514 41.4286 174.0063 15 C 4.9685 9.4428 122.4400 57.4487 33.6393 172.2665 16 A 5.0181 8.3450 119.8875 50.4379 21.5681 175.3312 17 C 5.3298 9.3312 120.0587 58.2436 32.6975 173.8735 18 C 5.5047 8.8580 117.7560 56.0639 32.9554 172.3508 19 K 5.3330 8.5771 117.7887 55.1241 33.0955 177.0397 20 V 4.1194 8.2290 124.0533 62.5763 32.5088 176.5334 21 E 4.3045 8.3979 129.2363 55.6395 27.3045 176.1795 22 S 4.6739 7.8422 120.0511 55.0808 62.7278 174.5028 23 K 3.9133 8.2779 128.3026 60.2010 32.3826 176.2903 24 N 4.5108 8.0716 116.4038 53.8432 36.6091 174.1024 25 E 3.7331 8.8380 124.5323 57.3696 26.8672 176.3745 26 G 3.7296 8.2271 106.3617 46.2527 0.0000 174.4219 27 K 4.1158 7.2083 118.2332 56.0418 34.7720 179.1241 28 K 4.0793 8.1592 110.3739 55.6468 35.8272 175.6808 29 N 4.9966 9.0619 108.3710 51.2456 39.1798 173.1017 30 E 4.5123 7.5488 116.4185 54.0064 32.4979 176.8084 31 V 3.8439 7.8276 120.7723 62.0644 32.6709 175.1005 32 F 5.0486 8.0121 123.9892 56.0776 41.7566 174.0582 33 N 4.7293 8.4596 118.4987 52.2987 40.3589 175.2745 34 N 4.5262 8.7194 115.4646 56.1412 38.6021 175.9963 35 Y 4.7703 8.0637 117.3303 58.2405 39.2026 176.1918 36 T 3.8395 8.5173 117.4786 66.3740 68.6584 173.7100 37 F 4.8278 7.6347 119.4974 56.3393 38.3002 175.6480 38 R 4.9003 8.2936 118.7194 55.7605 33.0801 174.7184 39 G 4.1299 8.7711 109.4616 46.8230 0.0000 174.4708 40 L 4.3474 8.7416 127.1553 56.6377 42.7761 177.2015 41 G 3.9374 7.3780 103.1432 45.5063 0.0000 171.3588 42 N 5.4349 8.9296 117.5461 52.2693 42.0721 174.2594 43 K 3.9416 10.7800 127.3566 57.7189 29.7541 176.0750 44 G 3.8899 8.1411 102.5839 46.0602 0.0000 172.3641 45 V 4.2635 7.1326 111.5674 59.8055 35.4466 174.2916 46 L 3.8520 7.8286 119.2571 54.1849 41.9647 176.7274 47 P 4.0865 0.0000 0.0000 64.0634 31.5901 176.7071 48 W 4.5308 5.4866 110.9679 54.0161 30.2406 176.4723 49 K 4.0044 8.7295 118.9443 58.3784 31.7490 177.3875 50 C 4.5885 7.6197 114.4067 59.1218 34.0210 173.6219 51 I 4.5765 8.1028 129.5046 58.6206 36.8685 175.7433 52 S 4.1303 9.0982 121.1692 61.6649 62.6903 176.6374 53 L 3.9444 7.8159 123.2252 57.7911 41.7831 178.4342 54 D 4.6521 8.1996 118.2154 57.3068 41.1176 178.2233 55 M 4.1404 7.9121 119.0270 58.2338 32.1287 178.3097 56 K 3.9014 8.1922 119.8424 59.6348 32.3205 178.2094 57 Y 3.7472 7.9545 119.7465 60.4718 38.6688 177.5143 58 F 3.9052 8.7269 122.0429 61.3154 39.5389 177.0883 59 R 3.5311 8.4517 118.4174 59.1275 29.9904 178.3348 60 A 3.7714 7.6655 120.5758 54.9588 18.1189 179.8472 61 V 3.0245 6.6749 115.6574 66.1258 31.6573 178.1891 62 T 3.3268 6.7322 107.3725 63.4149 68.6785 175.5164 63 T 4.3241 7.1829 110.9359 61.3316 70.2591 174.3432 64 Y 4.0962 7.2212 123.1485 57.5225 39.3400 175.2076 65 V 3.0394 6.8111 118.5224 59.1075 35.7159 174.9005 66 N 4.3672 5.7700 120.3996 50.9546 38.5699 174.4326 67 E 3.8926 8.2596 125.2816 58.9792 29.8220 179.0615 68 S 4.5488 7.8184 110.8287 58.8709 63.2329 175.0906 69 K 4.5946 8.3151 120.3354 56.2397 33.3016 177.1868 70 Y 4.2997 7.7940 119.9779 61.0964 38.7015 177.6610 71 E 3.6994 8.4027 118.7614 59.5193 29.3530 179.3531 72 K 3.9270 7.9554 118.8547 59.5194 32.3236 178.7673 73 L 3.9099 7.5351 119.1810 57.2790 41.5275 179.1555 74 K 3.5306 8.2458 120.7833 59.5353 32.0317 177.7556 75 Y 4.1082 7.9411 119.7913 60.7851 38.5570 177.9382 76 K 3.5030 7.6542 120.1695 59.6971 32.2359 178.7547 77 R 3.7292 7.8733 117.7929 59.5874 30.0180 178.9901 78 C 4.1812 8.4228 116.8113 62.4705 28.0033 176.2464 79 K 3.7188 8.1316 121.8229 59.5606 31.5396 178.2751 80 Y 4.0081 7.7976 118.6387 60.4698 38.8142 177.2345 81 L 4.0599 7.9467 116.6460 53.8932 43.2489 176.0684 82 N 4.1863 7.7816 115.6546 54.3856 36.0341 172.3579 83 K 4.6655 8.7330 117.0936 55.0965 35.9305 174.8390 84 E 4.8337 8.3632 118.3511 55.1515 33.3530 175.3079 85 T 3.9784 8.3057 116.0905 63.9939 69.5367 175.2654 *96 K 4.2427 8.1111 121.8873 56.4493 33.1709 175.2750 97 K 4.0074 8.4952 119.5624 55.8733 32.8502 177.0037 98 L 3.9311 7.8490 126.9822 55.4975 42.6004 175.9743 99 Q 4.7529 8.2922 122.7062 54.3240 33.7441 173.9301 100 N 5.3844 8.6917 117.4838 52.5077 41.5011 174.0741 101 V 4.8054 9.0494 120.3595 61.3447 34.2010 174.6947 102 V 5.0295 8.8179 120.5076 59.5819 34.9565 174.5899 103 V 5.0197 9.0460 125.5930 61.3039 34.0834 174.1990 104 M 5.0870 9.0480 123.9671 53.4265 35.0932 174.8248 105 G 4.0330 8.7256 107.8526 45.9696 0.0000 174.7337 106 R 4.1705 8.4229 119.3151 59.8379 29.5404 179.1597 107 T 3.9951 7.9244 115.0829 66.4045 68.2633 176.1487 108 N 4.3081 8.0067 117.9771 56.3231 39.4892 176.2564 109 W 4.2993 8.4823 129.9658 60.6899 30.6862 177.8468 110 E 4.0524 8.3494 117.0403 58.6343 28.9870 178.5900 111 S 4.2606 7.4789 111.8428 58.5222 63.7178 174.0974 112 I 4.0702 6.7037 124.0638 59.4970 38.0644 173.9357 113 P 4.2550 0.0000 0.0000 62.3734 32.0753 177.0236 114 K 3.8059 8.8624 125.3269 59.4433 32.1089 178.2065 115 K 3.8449 7.7791 115.2599 58.7420 32.3064 177.0702 116 F 5.0677 8.4473 117.9298 56.9241 39.4462 174.7417 117 K 4.5322 8.0257 120.8163 53.8257 34.0343 174.5831 118 P 4.8997 0.0000 0.0000 61.3820 32.3608 175.7422 119 L 4.0465 8.9974 118.9689 55.0304 41.8368 177.4139 120 S 4.1701 8.8066 118.3884 60.0015 63.2058 173.4406 121 N 4.4401 8.9662 117.7827 54.2059 36.1273 173.9724 122 R 4.7634 7.5292 113.5744 54.5171 34.6533 175.6880 123 I 4.2266 8.6691 123.4043 60.6096 37.8615 174.7377 124 N 5.0446 8.7659 125.8635 52.8478 39.9110 174.5253 125 V 4.8411 9.0221 123.9397 61.0385 34.9403 174.1257 126 I 4.8901 8.6228 127.9984 59.4289 40.3949 174.3154 127 L 4.8919 8.7130 127.2346 53.9067 43.0384 175.6997 128 S 4.5900 8.8815 116.6810 58.0965 65.9245 175.2164 129 R 4.3588 8.6978 123.1242 58.0392 31.8366 178.0008 130 T 4.0390 7.9949 105.8611 63.3742 69.0696 174.0302 131 L 5.0207 7.6805 120.9233 52.7468 44.6108 175.3963 132 K 4.7948 9.1762 120.2644 53.8366 36.2027 177.6437 133 K 3.8980 8.7901 119.1001 60.4836 32.0640 178.7143 134 E 4.0075 8.2190 116.9533 58.3063 29.4007 177.1956 135 D 4.6593 8.8755 118.2721 54.2361 41.2530 176.1339 136 F 4.8860 8.3388 118.3813 55.7194 41.9394 174.4804 137 D 4.6874 8.3063 121.4992 55.3560 42.1325 176.9048 138 E 4.3200 8.1222 117.2770 55.9966 30.1618 176.8344 139 D 4.5653 8.2937 120.8709 53.4289 39.6183 175.3600 140 V 4.5769 7.1851 115.1296 59.4507 36.4896 173.3827 141 Y 4.4421 8.8018 120.4173 56.7762 39.9428 174.8110 142 I 4.7901 8.2200 123.9634 59.3787 39.4895 174.9543 143 I 4.7443 8.7061 120.5392 58.9839 40.7953 175.7457 144 N 5.2406 8.7465 118.8564 51.8308 37.8106 174.2600 145 K 4.6499 7.4141 115.6616 54.8897 36.4125 177.4696 146 V 3.6929 8.1996 120.2617 65.6973 32.1138 178.3132 147 E 3.9453 8.1507 119.5024 59.4194 29.2570 178.6711 148 D 4.3614 7.7783 117.6120 56.9207 40.7356 178.7301 149 L 3.7864 7.5719 121.0916 58.1272 42.1305 178.9152 150 I 3.2540 7.5844 119.2320 64.1842 36.8127 178.2881 151 V 3.4469 7.4031 117.6486 65.9602 31.6983 177.4291 152 L 3.9268 8.1823 120.2086 58.1828 41.5738 178.8943 153 L 3.7928 8.2425 119.2711 57.5921 41.2275 179.6488 154 G 3.7982 7.7041 104.3929 46.8322 0.0000 175.0749 155 K 4.3669 7.7097 119.4733 56.9676 33.0293 177.1904 156 L 4.3422 6.7111 118.0796 54.1554 42.4857 176.1101 157 N 5.0552 8.8667 117.7684 51.3761 39.0377 173.8471 158 Y 4.5820 7.9267 120.3646 56.0630 41.5923 173.5672 159 Y 4.5466 9.3467 121.5912 58.3233 38.3519 175.0428 160 K 4.7971 9.5202 116.4725 54.5959 37.5044 174.2378 161 C 5.2341 8.6658 122.0467 57.7840 34.0982 172.4371 162 F 5.3751 9.5185 125.4491 55.9881 41.4160 175.1989 163 I 4.4602 9.1767 125.5400 60.0507 36.3128 176.4293 164 L 4.2201 8.8138 128.3074 56.2034 42.4576 175.6568 165 G 2.4558 8.2606 103.2639 43.1185 0.0000 170.8972 166 G 4.0742 8.3513 103.3372 43.3917 0.0000 174.9355 167 S 4.3368 9.0335 119.9533 61.5067 62.8366 176.9897 168 V 3.5807 7.8310 121.4706 65.7107 31.1722 177.8663 169 V 4.0801 7.6773 118.5811 65.6676 31.3528 177.3379 170 Y 4.3203 8.2535 116.7350 61.1835 37.7704 178.0122 171 Q 3.9636 8.5308 121.1054 59.5607 28.6047 178.8033 172 E 4.3078 8.2129 119.3867 58.7341 29.6027 178.9202 173 F 4.0232 8.2435 119.1222 60.0108 39.0306 177.8485 174 L 4.2011 8.2629 119.1616 57.6848 41.3032 179.1092 175 E 4.0743 8.3434 117.0211 59.2466 29.4953 178.4355 176 K 4.3577 7.7474 115.0254 55.5236 32.2864 176.5455 177 K 4.0336 8.1116 117.9152 57.6178 30.0471 175.5983 178 L 4.4832 8.2140 115.8896 54.8948 42.1554 176.8713 179 I 4.5942 7.6772 120.5887 59.7703 38.7917 175.3740 180 K 4.3187 8.9755 127.7556 58.9775 33.3579 176.4963 181 K 5.3002 8.0318 116.6112 55.3382 37.2644 175.1291 182 I 4.9347 8.7197 122.3556 59.9978 40.5953 174.6214 183 Y 4.8125 9.5297 126.7466 57.0703 38.8706 174.4433 184 F 5.0340 9.4394 128.5987 56.7002 41.7644 174.3450 185 T 4.7274 8.7907 124.3237 62.6047 70.2893 174.2062 186 R 4.7697 8.4690 126.4559 54.6804 31.6809 175.8639 187 I 3.9522 8.7783 127.4871 59.6874 37.8761 176.7094 188 N 5.4545 8.1290 132.0433 51.9023 36.5902 174.3281 189 S 4.6445 7.6173 114.1558 57.7009 67.0119 175.0432 190 T 5.3608 7.9379 117.7030 62.3463 69.5695 173.5063 191 Y 4.9011 8.2149 120.9144 56.5489 43.3444 173.4895 192 E 4.5220 8.8910 121.6817 55.9813 30.4706 175.4758 193 C 4.9116 8.4952 122.5730 58.1766 32.2348 173.2619 194 D 4.9366 8.5492 120.3146 53.0011 41.3924 175.7773 195 V 4.4412 6.9929 112.5921 59.5337 35.4555 174.4973 196 F 5.5251 8.7084 121.7907 55.3155 42.8947 174.5137 197 F 4.3710 9.4819 124.3706 57.4246 39.7981 173.6762 198 P 4.4407 0.0000 0.0000 62.3245 31.8082 175.7355 199 E 4.1747 8.6041 122.0430 56.1504 29.9681 176.3211 200 I 4.0793 8.3689 127.6076 60.3188 38.1095 175.0356 201 N 4.4847 8.8254 124.7241 53.1261 39.1315 175.1522 202 E 4.2197 8.9210 127.2566 59.3059 29.8979 177.0409 203 N 4.7056 8.7658 114.2088 54.0425 39.1507 175.0453 204 E 4.5081 8.4194 118.1818 56.7251 32.6432 175.6990 205 Y 5.3129 8.0018 115.0317 56.2516 41.8193 175.2628 206 Q 4.7802 9.4255 121.8778 53.8779 33.1633 174.8365 207 I 4.1619 8.4622 124.5192 61.5177 37.2309 175.9585 208 I 4.5120 8.6315 118.0592 60.5506 39.4069 175.6606 209 S 4.7581 7.5552 116.3092 57.2261 67.4515 173.3621 210 V 4.8660 8.1998 116.1458 59.7662 34.9219 175.9088 211 S 4.6450 8.8152 121.0200 57.0800 65.1496 173.2401 212 D 4.3697 8.6326 119.0048 54.3083 41.5678 175.0592 213 V 4.3501 7.5311 121.9799 61.7780 33.2127 174.1861 214 Y 4.9436 8.9782 123.1966 56.7477 42.9341 173.9299 215 T 5.1208 8.4982 116.4248 62.1282 71.6217 174.1823 216 S 4.4165 9.6157 119.3530 58.6280 66.2078 173.8085 217 N 4.4628 9.7849 124.8733 54.6552 35.7977 173.6180 218 N 4.3504 8.6848 106.4472 54.0099 36.5220 174.5489 219 T 4.7259 7.6133 110.2665 61.2140 71.4729 172.8202 220 T 4.9458 8.3466 117.4867 61.3632 71.2886 173.0404 221 L 4.8468 8.6235 120.5230 56.2608 44.2367 172.6989 222 D 4.6432 7.5341 118.4495 52.1929 43.5812 173.3812 223 F 5.3029 8.9370 116.7597 55.5923 42.3506 174.8296 224 I 5.1823 9.1078 115.6326 59.2098 41.6560 174.0066 225 I 4.9860 8.5031 123.0073 59.8572 40.4317 174.2195 226 Y 5.0425 9.0536 124.5847 56.2412 40.4961 174.6433 227 K 5.0581 9.1471 124.2238 54.1308 35.7994 175.0742 228 K 4.1195 8.6790 128.5186 56.7100 32.4556 176.7921 229 T 4.3743 8.6076 118.8066 61.4235 69.7069 174.0653 230 N 4.7245 8.3510 118.5864 54.3233 39.1036 174.6067 231 N 4.2315 8.0113 119.8553 53.7107 40.3617 174.0738 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 M 8.29 4.48 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 M 7.97 4.29 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 3 E 9.56 4.69 0.00 2.07 1.79 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 2.20 2.32 0.00 4 Q 8.22 4.34 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 5 V 8.43 3.33 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 1.34 0.00 0.00 1.03 0.00 0.00 6 C 7.94 4.22 0.00 3.27 3.24 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 7 D 7.81 4.24 0.00 2.72 2.63 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 8 V 7.19 3.05 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.32 0.00 0.00 9 F 7.50 4.77 0.00 3.23 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 10 D 7.24 4.05 0.00 2.77 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 11 I 7.34 4.58 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 1.25 0.84 0.97 0.00 0.00 12 Y 9.41 5.43 0.00 2.84 3.22 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 13 A 9.18 5.41 1.51 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 0.00 0.00 14 I 8.62 5.52 2.12 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 1.61 1.47 1.25 0.00 0.00 15 C 9.44 4.97 0.00 2.75 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 16 A 8.35 5.02 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 17 C 9.33 5.33 0.00 2.95 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 18 C 8.86 5.50 0.00 3.71 3.38 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 19 K 8.58 5.33 0.00 1.69 1.64 0.00 1.47 0.00 0.00 1.28 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.76 0.83 7.81 20 V 8.23 4.12 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 0.90 0.00 0.00 1.16 0.00 0.00 21 E 8.40 4.30 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 22 S 7.84 4.67 0.00 4.11 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 23 K 8.28 3.91 0.00 1.84 1.95 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.49 7.81 24 N 8.07 4.51 0.00 2.81 2.87 0.00 0.00 6.03 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 25 E 8.84 3.73 0.00 2.17 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 2.27 2.26 0.00 26 G 8.23 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 0.00 0.00 0.00 27 K 7.21 4.12 0.00 1.64 1.51 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.38 7.81 28 K 8.16 4.08 0.00 1.78 1.59 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.43 7.81 29 N 9.06 5.00 0.00 2.67 2.68 0.00 0.00 6.66 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 30 E 7.55 4.51 0.00 1.74 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 2.11 1.47 0.00 31 V 7.83 3.84 2.00 0.00 0.00 0.00 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 0.87 0.00 0.00 32 F 8.01 5.05 0.00 3.11 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.46 4.73 0.00 2.99 2.98 0.00 0.00 7.20 8.16 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 34 N 8.72 4.53 0.00 2.91 3.02 0.00 0.00 6.43 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 35 Y 8.06 4.77 0.00 2.96 3.25 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 36 T 8.52 3.84 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 0.82 0.00 0.00 37 F 7.63 4.83 0.00 3.31 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 38 R 8.29 4.90 0.00 1.96 1.96 0.00 2.52 0.00 0.00 2.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.74 0.00 39 G 8.77 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 40 L 8.74 4.35 0.00 1.77 1.77 1.28 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.38 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 42 N 8.93 5.43 0.00 2.78 2.50 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 10.78 3.94 0.00 1.87 1.78 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.44 7.81 44 G 8.14 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 0.00 0.00 0.00 45 V 7.13 4.26 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.93 0.00 0.00 46 L 7.83 3.85 0.00 1.14 0.23 0.66 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.09 0.00 1.92 2.27 0.00 2.20 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 48 W 5.49 4.53 0.00 3.10 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 0.00 0.00 0.00 49 K 8.73 4.00 0.00 1.82 1.95 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.51 7.81 50 C 7.62 4.59 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 51 I 8.10 4.58 1.71 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.59 0.75 0.00 0.00 52 S 9.10 4.13 0.00 4.06 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 53 L 7.82 3.94 0.00 1.72 1.69 0.79 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.20 4.65 0.00 2.88 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 55 M 7.91 4.14 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.54 0.00 56 K 8.19 3.90 0.00 1.80 1.93 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.40 7.81 57 Y 7.95 3.75 0.00 2.68 2.91 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 58 F 8.73 3.91 0.00 3.24 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.45 3.53 0.00 1.95 1.93 0.00 3.11 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 1.51 1.56 0.00 60 A 7.67 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 6.67 3.02 1.18 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 -0.19 0.00 0.00 -0.17 0.00 0.00 62 T 6.73 3.33 3.83 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 0.11 0.00 0.00 63 T 7.18 4.32 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 1.16 0.00 0.00 64 Y 7.22 4.10 0.00 2.94 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 65 V 6.81 3.04 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 0.69 0.00 0.00 0.55 0.00 0.00 66 N 5.77 4.37 0.00 2.51 2.67 0.00 0.00 6.98 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 67 E 8.26 3.89 0.00 1.99 1.96 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 2.25 2.12 0.00 68 S 7.82 4.55 0.00 3.97 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 69 K 8.32 4.59 0.00 2.16 1.98 0.00 1.90 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.42 1.69 7.81 70 Y 7.79 4.30 0.00 3.13 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 71 E 8.40 3.70 0.00 2.04 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 2.42 2.45 0.00 72 K 7.96 3.93 0.00 1.83 2.06 0.00 1.74 0.00 0.00 1.85 0.00 0.00 3.15 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.55 7.81 73 L 7.54 3.91 0.00 1.67 1.54 0.78 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.25 3.53 0.00 0.79 1.61 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.33 7.81 75 Y 7.94 4.11 0.00 3.02 3.15 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 76 K 7.65 3.50 0.00 1.74 1.89 0.00 1.62 0.00 0.00 1.43 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 1.37 7.81 77 R 7.87 3.73 0.00 2.00 2.07 0.00 3.12 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 78 C 8.42 4.18 0.00 2.95 2.96 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 79 K 8.13 3.72 0.00 1.16 1.61 0.00 1.01 0.00 0.00 1.26 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.26 1.23 7.81 80 Y 7.80 4.01 0.00 2.78 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 81 L 7.95 4.06 0.00 1.72 1.72 1.13 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 82 N 7.78 4.19 0.00 2.79 2.81 0.00 0.00 6.69 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.73 4.67 0.00 1.72 1.72 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.54 7.81 84 E 8.36 4.83 0.00 1.92 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 2.21 2.25 0.00 85 T 8.31 3.98 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 *96 K 8.11 4.24 0.00 1.88 1.78 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.43 7.81 97 K 8.50 4.01 0.00 1.71 1.72 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.36 7.81 98 L 7.85 3.93 0.00 1.53 1.38 0.37 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.29 4.75 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 100 N 8.69 5.38 0.00 2.98 3.17 0.00 0.00 6.27 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 0.00 101 V 9.05 4.81 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 0.85 0.00 0.00 0.61 0.00 0.00 102 V 8.82 5.03 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.12 0.00 0.00 103 V 9.05 5.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.84 0.00 0.00 104 M 9.05 5.09 0.00 2.16 2.33 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.82 0.00 105 G 8.73 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 0.00 106 R 8.42 4.17 0.00 2.03 2.02 0.00 3.18 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.87 0.00 107 T 7.92 4.00 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 1.21 0.00 0.00 108 N 8.01 4.31 0.00 2.79 3.07 0.00 0.00 6.90 7.95 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 0.00 109 W 8.48 4.30 0.00 3.57 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.35 4.05 0.00 2.04 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 2.54 2.78 0.00 111 S 7.48 4.26 0.00 4.02 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 0.00 112 I 6.70 4.07 1.49 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 1.15 0.64 0.78 0.00 0.00 113 P 0.00 4.25 0.00 2.35 1.98 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.08 0.00 114 K 8.86 3.81 0.00 1.75 1.74 0.00 1.58 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.47 7.81 115 K 7.78 3.84 0.00 1.40 1.63 0.00 1.03 0.00 0.00 1.41 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.92 0.21 7.81 116 F 8.45 5.07 0.00 3.07 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 0.00 117 K 8.03 4.53 0.00 1.57 1.39 0.00 0.61 0.00 0.00 0.83 0.00 0.00 2.84 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.65 1.14 7.81 118 P 0.00 4.90 0.00 2.46 2.42 0.00 3.90 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 119 L 9.00 4.05 0.00 1.86 1.77 1.15 0.89 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 0.00 120 S 8.81 4.17 0.00 4.01 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 0.00 121 N 8.97 4.44 0.00 2.85 2.91 0.00 0.00 6.74 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 0.00 122 R 7.53 4.76 0.00 1.88 1.84 0.00 3.13 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 123 I 8.67 4.23 1.99 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 1.33 0.71 1.04 0.00 0.00 124 N 8.77 5.04 0.00 2.76 2.84 0.00 0.00 6.44 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 0.00 125 V 9.02 4.84 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 0.98 0.00 0.00 0.80 0.00 0.00 126 I 8.62 4.89 1.32 0.00 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.03 0.79 0.00 0.00 127 L 8.71 4.89 0.00 1.61 1.62 1.11 0.84 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 0.00 128 S 8.88 4.59 0.00 3.89 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.70 4.36 0.00 1.82 1.93 0.00 3.27 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 130 T 7.99 4.04 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 0.00 131 L 7.68 5.02 0.00 1.88 1.82 0.89 0.84 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 0.00 132 K 9.18 4.79 0.00 1.76 1.69 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.36 7.81 133 K 8.79 3.90 0.00 1.88 2.07 0.00 1.50 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.52 7.81 134 E 8.22 4.01 0.00 1.98 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 0.00 2.32 2.41 0.00 135 D 8.88 4.66 0.00 2.72 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 0.00 136 F 8.34 4.89 0.00 2.90 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 D 8.31 4.69 0.00 2.69 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.12 4.32 0.00 2.19 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 2.79 2.57 0.00 139 D 8.29 4.57 0.00 2.62 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 0.00 140 V 7.19 4.58 1.64 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 0.59 0.00 0.00 0.40 0.00 0.00 141 Y 8.80 4.44 0.00 2.73 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 0.00 142 I 8.22 4.79 1.72 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.48 0.77 0.00 0.00 143 I 8.71 4.74 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.68 0.85 0.00 0.00 144 N 8.75 5.24 0.00 2.81 3.01 0.00 0.00 6.17 7.13 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 0.00 145 K 7.41 4.65 0.00 1.71 1.63 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.33 1.45 7.81 146 V 8.20 3.69 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.63 0.00 0.00 147 E 8.15 3.95 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 148 D 7.78 4.36 0.00 2.84 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 0.00 149 L 7.57 3.79 0.00 1.75 1.87 0.77 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 150 I 7.58 3.25 1.90 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 1.63 0.66 0.83 0.00 0.00 151 V 7.40 3.45 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 0.75 0.00 0.00 0.92 0.00 0.00 152 L 8.18 3.93 0.00 1.63 1.62 0.46 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.24 3.79 0.00 1.14 1.37 0.71 0.36 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 0.00 154 G 7.70 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 0.00 0.00 0.00 155 K 7.71 4.37 0.00 1.86 1.88 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.45 7.81 156 L 6.71 4.34 0.00 1.73 1.65 0.44 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 157 N 8.87 5.06 0.00 2.73 2.67 0.00 0.00 7.05 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 0.00 158 Y 7.93 4.58 0.00 3.15 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 0.00 159 Y 9.35 4.55 0.00 2.84 3.24 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 0.00 160 K 9.52 4.80 0.00 1.86 1.36 0.00 1.76 0.00 0.00 1.39 0.00 0.00 2.77 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.17 0.38 7.81 161 C 8.67 5.23 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 F 9.52 5.38 0.00 3.02 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 0.00 163 I 9.18 4.46 1.89 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.86 0.44 0.00 0.00 164 L 8.81 4.22 0.00 1.70 1.88 1.20 1.18 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 0.00 165 G 8.26 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 0.00 0.00 0.00 166 G 8.35 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 0.00 167 S 9.03 4.34 0.00 4.30 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 0.00 168 V 7.83 3.58 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 1.06 0.00 0.00 0.97 0.00 0.00 169 V 7.68 4.08 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 1.28 0.00 0.00 1.01 0.00 0.00 170 Y 8.25 4.32 0.00 3.04 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 0.00 171 Q 8.53 3.96 0.00 2.14 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 172 E 8.21 4.31 0.00 2.20 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 0.00 2.63 2.03 0.00 173 F 8.24 4.02 0.00 3.31 3.25 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 0.00 174 L 8.26 4.20 0.00 1.90 1.80 0.78 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 175 E 8.34 4.07 0.00 2.18 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 2.48 2.28 0.00 176 K 7.75 4.36 0.00 1.79 1.83 0.00 1.73 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.41 7.81 177 K 8.11 4.03 0.00 1.85 1.89 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.59 7.81 178 L 8.21 4.48 0.00 2.02 1.92 0.71 0.68 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 0.00 179 I 7.68 4.59 2.08 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.97 1.07 0.00 0.00 180 K 8.98 4.32 0.00 1.57 1.35 0.00 1.62 0.00 0.00 1.48 0.00 0.00 2.91 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.40 7.81 181 K 8.03 5.30 0.00 2.12 1.62 0.00 1.94 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.78 7.81 182 I 8.72 4.93 1.94 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.62 1.00 0.00 0.00 183 Y 9.53 4.81 0.00 3.12 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 0.00 184 F 9.44 5.03 0.00 3.22 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 0.00 185 T 8.79 4.73 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 1.05 0.00 0.00 186 R 8.47 4.77 0.00 1.42 0.66 0.00 2.21 0.00 0.00 2.72 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 187 I 8.78 3.95 1.78 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.07 0.59 0.00 0.00 188 N 8.13 5.45 0.00 2.78 2.85 0.00 0.00 7.05 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 0.00 189 S 7.62 4.64 0.00 3.59 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 0.00 190 T 7.94 5.36 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 191 Y 8.21 4.90 0.00 3.01 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 E 8.89 4.52 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 193 C 8.50 4.91 0.00 2.83 2.47 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 0.00 194 D 8.55 4.94 0.00 2.74 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 0.00 195 V 6.99 4.44 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 0.82 0.00 0.00 0.83 0.00 0.00 196 F 8.71 5.53 0.00 2.97 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 0.00 197 F 9.48 4.37 0.00 3.03 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 0.00 198 P 0.00 4.44 0.00 1.83 2.09 0.00 2.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.97 0.00 199 E 8.60 4.17 0.00 1.47 1.69 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 2.06 1.58 0.00 200 I 8.37 4.08 1.85 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.86 0.85 0.00 0.00 201 N 8.83 4.48 0.00 2.78 2.81 0.00 0.00 6.83 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 0.00 202 E 8.92 4.22 0.00 2.03 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 2.41 0.00 203 N 8.77 4.71 0.00 2.88 2.84 0.00 0.00 6.85 7.28 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 0.00 204 E 8.42 4.51 0.00 1.93 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.49 0.00 205 Y 8.00 5.31 0.00 2.92 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 0.00 206 Q 9.43 4.78 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 207 I 8.46 4.16 1.66 0.00 0.00 0.51 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 -0.14 0.70 0.00 0.00 208 I 8.63 4.51 1.89 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 1.45 0.68 0.99 0.00 0.00 209 S 7.56 4.76 0.00 3.78 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 0.00 210 V 8.20 4.87 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 0.64 0.00 0.00 0.89 0.00 0.00 211 S 8.82 4.64 0.00 4.08 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 D 8.63 4.37 0.00 2.51 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 0.00 0.00 0.00 213 V 7.53 4.35 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.80 0.00 0.00 214 Y 8.98 4.94 0.00 2.84 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 0.00 215 T 8.50 5.12 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 1.22 0.00 0.00 216 S 9.62 4.42 0.00 3.74 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 0.00 217 N 9.78 4.46 0.00 2.82 2.83 0.00 0.00 7.12 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 0.00 218 N 8.68 4.35 0.00 2.90 2.97 0.00 0.00 6.93 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 T 7.61 4.73 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 1.18 0.00 0.00 220 T 8.35 4.95 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 1.17 0.00 0.00 221 L 8.62 4.85 0.00 1.45 1.51 0.67 0.70 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 0.00 222 D 7.53 4.64 0.00 2.68 2.58 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 0.00 223 F 8.94 5.30 0.00 2.75 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 0.00 224 I 9.11 5.18 1.73 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.79 0.77 0.00 0.00 225 I 8.50 4.99 1.88 0.00 0.00 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 1.37 0.88 0.71 0.00 0.00 226 Y 9.05 5.04 0.00 2.91 2.96 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 0.00 227 K 9.15 5.06 0.00 1.84 1.69 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.46 7.81 228 K 8.68 4.12 0.00 1.92 1.70 0.00 2.06 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 0.84 7.81 229 T 8.61 4.37 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 1.27 0.00 0.00 230 N 8.35 4.72 0.00 2.79 2.93 0.00 0.00 5.90 8.04 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 0.00 231 N 8.01 4.23 0.00 2.69 2.67 0.00 0.00 6.90 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.