NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7188 8.2048 119.7502 56.2626 33.4527 175.3460 2 M 4.4719 8.1026 113.0345 53.2313 33.1197 173.7343 3 E 4.4383 8.7168 120.2494 54.3637 30.7121 172.9726 4 Q 4.0602 8.1805 125.4293 55.8623 29.7421 176.8856 5 V 3.4766 8.6850 124.1961 66.5166 31.6816 177.8316 6 C 3.7412 8.2340 113.5057 61.5568 29.0112 175.1947 7 D 4.3604 8.0518 120.3785 56.0552 40.5546 178.5795 8 V 3.4602 7.1029 117.7747 65.1405 31.8411 176.5187 9 F 4.6327 8.3917 114.1124 55.9437 39.6942 175.9702 10 D 4.5240 7.4511 118.0599 54.0711 37.8439 171.8191 11 I 4.4511 6.9345 119.9370 60.4174 39.0452 175.5634 12 Y 5.5983 9.1120 124.3474 56.1161 42.2416 174.4001 13 A 5.5560 9.4606 122.5675 50.4140 22.3000 175.2185 14 I 5.4284 8.8743 121.2656 59.6540 41.1968 174.0886 15 C 4.9730 9.2162 122.8474 57.3974 33.7586 172.3045 16 A 4.8143 8.2671 119.6647 50.8692 21.4108 175.4535 17 C 5.8660 9.0553 120.5425 57.3883 32.0273 173.8196 18 C 5.6433 8.7306 117.4486 56.0681 32.7925 172.4029 19 K 4.9870 8.7877 117.4518 55.0498 33.5840 176.6276 20 V 4.9094 8.0730 115.0286 59.2331 34.6949 175.5995 21 E 4.1382 8.3858 123.5922 56.7567 29.9970 178.3740 22 S 4.2264 8.8516 116.5600 59.0673 63.1054 175.4535 23 K 4.0742 8.3731 119.5679 56.6287 29.8344 176.9935 24 N 4.3249 7.7715 113.8030 53.7932 37.3679 173.9868 25 E 4.6371 7.8081 118.4626 55.3437 29.7211 174.8668 26 G 4.0682 7.6645 107.0748 43.7435 0.0000 173.2535 27 K 4.3150 7.9930 118.1953 55.3151 33.3879 175.9505 28 K 3.5271 8.1000 115.4906 60.4281 32.4166 175.8182 29 N 4.7561 7.5668 121.1208 51.4173 41.3405 174.0179 30 E 3.6737 8.7130 126.2167 56.7156 30.0659 176.1553 31 V 4.3219 7.6984 123.3749 60.9108 34.2103 174.5397 32 F 4.9682 8.0962 122.7129 56.0152 42.4398 173.6648 33 N 4.7728 8.7083 118.7570 52.2129 40.3030 175.1289 34 N 4.4689 8.8812 115.3201 56.8076 38.5541 176.6871 35 Y 4.5168 8.1247 117.2720 59.6646 39.0569 176.8848 36 T 3.8080 8.5478 117.1590 66.4711 68.5874 173.3561 37 F 5.0614 7.7983 120.5218 56.1006 38.0446 175.2231 38 R 4.8734 8.2253 119.2091 55.0222 32.0324 175.2172 39 G 4.0381 8.7824 109.6754 47.0233 0.0000 173.7514 40 L 4.5643 8.5484 125.1522 56.1242 43.8146 176.6522 41 G 3.9303 7.2950 103.1086 45.4118 0.0000 171.4989 42 N 5.1907 8.9644 118.3010 51.2103 41.8898 174.4558 43 K 3.7656 10.7800 127.9046 57.5575 29.9359 176.1443 44 G 3.9050 8.0038 103.4545 45.7321 0.0000 171.7947 45 V 4.3991 7.2447 112.1020 58.9299 35.3676 174.4335 46 L 3.8297 7.7127 119.8463 53.7357 41.8745 176.7747 47 P 4.1908 0.0000 0.0000 64.3369 31.4740 176.5239 48 W 4.6513 5.3995 113.8445 53.9864 29.8300 175.8895 49 K 3.9928 8.4719 118.4025 58.1428 31.8970 176.9072 50 C 4.6377 7.5910 115.1188 59.0331 34.4001 173.8808 51 I 4.6000 8.1686 128.7111 58.5162 37.3696 175.7008 52 S 4.1459 9.0076 121.6297 61.4021 62.6929 176.4615 53 L 3.9047 7.8189 123.2742 58.0543 41.8249 178.5435 54 D 4.6510 8.0718 117.4321 57.3864 41.1716 178.0134 55 M 4.1117 7.8607 119.0582 58.3506 32.0510 178.5324 56 K 3.8979 8.4112 120.1375 59.5125 32.1987 178.2119 57 Y 3.7901 8.0213 119.7893 60.5324 38.7054 177.2297 58 F 3.9305 8.4579 121.6827 61.3930 39.4225 176.9958 59 R 3.4237 8.1018 117.5973 59.3084 29.4188 178.0041 60 A 3.8185 7.6519 120.4077 55.3794 18.0653 179.8624 61 V 3.1303 7.1595 115.8363 65.9068 31.5726 177.9808 62 T 3.3866 7.2579 108.4071 63.1083 68.8632 175.7274 63 T 4.3759 7.3499 110.6083 60.6564 69.8479 173.6423 64 Y 4.2697 7.1198 123.0905 57.2934 39.5872 174.6297 65 V 3.0942 6.6983 124.5923 60.6801 34.8791 174.1184 66 N 4.4293 5.7819 123.2566 51.0754 39.7246 174.2908 67 E 3.9198 8.4341 126.1627 59.3477 29.7456 179.3964 68 S 4.4541 7.7584 108.6785 59.1225 63.0966 175.0602 69 K 4.5970 8.2521 120.0761 56.3832 33.4427 177.3803 70 Y 4.2491 7.9727 120.6028 60.7658 38.8248 177.0813 71 E 3.6588 8.3763 119.7632 59.5121 29.3051 178.6515 72 K 3.9120 8.0068 118.6415 59.6069 32.2019 178.4834 73 L 3.9246 7.3254 118.5184 57.0396 41.5827 179.2450 74 K 3.5659 7.8353 120.1550 59.6731 30.5924 177.9884 75 Y 4.1439 8.4242 120.0562 60.7584 38.5033 178.4146 76 K 3.9198 7.6445 120.0833 59.1858 32.3993 179.0719 77 R 3.7223 7.8523 118.2117 59.4334 29.8168 178.6609 78 C 4.0515 7.5768 114.3605 62.8059 28.2744 175.5118 79 K 3.8477 7.0296 118.9003 60.5367 31.6972 177.3345 80 Y 3.9777 8.1950 118.0760 57.7167 39.0934 179.0885 81 L 3.2956 8.9588 113.8421 53.3889 46.4171 175.2054 *93 P 4.4189 0.0000 0.0000 62.6414 32.6886 176.9854 94 N 4.2373 8.0773 116.3407 55.1375 39.4649 174.4625 95 S 4.6523 7.6462 118.3005 56.0700 63.8601 174.8334 96 K 4.0606 8.7398 125.9412 58.1751 32.0812 177.4426 97 K 4.5232 7.2963 116.5242 53.9227 34.7804 175.8907 98 L 4.0352 7.9164 124.6420 55.2073 42.6286 175.4972 99 Q 4.6857 8.1271 121.6393 54.8076 34.0248 173.2040 100 N 5.2076 8.7589 116.7589 52.2395 41.6586 174.2828 101 V 4.7296 9.0628 121.3419 61.4721 33.9918 174.8347 102 V 4.8394 8.6856 121.5833 59.8137 33.8985 174.9478 103 V 4.4767 8.8096 127.8204 61.7965 32.7123 174.6962 104 M 5.2714 8.7780 124.5409 53.4167 35.0774 175.1577 105 G 4.0737 8.7920 107.5899 45.7749 0.0000 174.8100 106 R 4.1717 8.5185 120.9456 59.8552 30.0504 178.6602 107 T 4.1737 8.0795 114.8078 67.0728 68.3320 175.6130 108 N 4.2728 8.1953 117.9133 56.5130 38.7885 176.3603 109 W 4.1195 8.6423 129.2039 60.6788 30.8478 177.5431 110 E 4.1675 9.0339 118.5906 59.1297 28.9537 179.0744 111 S 4.1658 7.8136 113.9394 60.3825 63.4609 175.3059 112 I 3.6474 6.6119 122.1585 60.6913 37.3176 174.3123 113 P 4.5541 0.0000 0.0000 61.8725 32.5702 176.8015 114 K 3.9925 8.3955 117.3820 60.0818 31.9251 179.7493 115 K 3.9754 7.5245 114.9776 57.8475 31.6209 177.5138 116 F 4.9785 7.5995 116.8012 56.9906 40.0262 174.8368 117 K 4.6842 7.4727 121.2347 53.7256 33.7421 174.4541 118 P 4.5687 0.0000 0.0000 61.5709 32.1523 175.5990 119 L 4.1157 9.1041 119.0875 54.2591 41.7021 177.3578 120 S 4.1364 8.7542 118.3053 59.8268 63.1473 173.4723 121 N 4.5544 8.8198 116.2569 53.0823 36.1223 174.0806 122 R 4.8280 7.5305 113.7674 54.6292 34.5821 175.8119 123 I 4.2327 8.9148 124.4911 60.4437 37.3441 174.6364 124 N 5.1524 8.6455 124.7363 53.1172 39.5355 174.9351 125 V 4.7119 8.6693 121.9357 61.2601 35.7692 174.1670 126 I 5.5532 7.7022 125.1054 58.5364 41.4102 174.0589 127 L 4.9315 8.3289 126.2589 53.6406 43.3507 175.4762 128 S 4.5611 8.3172 116.0191 57.7947 65.6449 175.0630 129 R 4.4854 8.8889 124.4548 56.3209 30.6616 176.7041 130 T 4.4239 7.5994 107.7758 62.6090 70.7122 175.0738 131 L 4.2587 7.9431 120.8441 54.2090 41.9784 176.3199 132 K 4.6363 8.3701 119.2300 54.7444 34.7538 177.0889 133 K 3.6615 9.1148 123.5451 59.6457 32.3817 177.8766 134 E 4.1009 7.9829 116.6947 59.5885 29.4842 178.8899 135 D 4.6319 8.0596 114.9731 53.0471 38.9143 175.2063 136 F 4.8458 7.9562 119.0335 56.0199 41.8209 174.4198 137 D 4.8134 8.5036 120.4643 53.4976 41.6385 178.0678 138 E 3.8806 8.6816 121.9972 59.3273 29.5957 177.6981 139 D 4.1463 7.8883 115.7951 55.0040 41.5258 175.9970 140 V 3.9661 7.0431 118.7319 61.1350 31.3351 174.5331 141 Y 4.3915 7.2194 124.6898 58.4748 39.3130 174.7974 142 I 4.9020 7.9526 119.2922 60.5424 41.3236 174.4441 143 I 4.6219 8.5191 117.0559 59.6935 40.5632 175.9533 144 N 4.3935 8.8939 121.3271 55.9472 39.0558 175.0523 145 K 4.3590 7.6108 117.0277 53.8955 36.0364 175.8924 146 V 3.4294 8.4376 122.3802 66.5667 30.3123 178.0612 147 E 3.9550 8.1273 117.2186 59.6348 29.2148 179.0479 148 D 4.5625 8.2024 119.0442 56.8010 40.7284 178.0912 149 L 3.8038 7.6547 120.6532 58.6444 42.1512 179.0296 150 I 3.2272 7.0867 119.6779 64.4410 36.5652 178.6069 151 V 3.4958 7.6737 118.8913 65.8387 31.4895 177.9395 152 L 3.8668 7.5665 119.5026 57.8997 41.6413 178.8057 153 L 3.7882 7.8297 119.0781 57.4528 41.5709 179.0963 154 G 3.9804 7.4329 104.2883 47.6417 0.0000 175.5927 155 K 4.1967 7.4162 118.3616 58.2406 32.7107 177.8240 156 L 4.0968 6.8432 116.9278 55.1246 42.0745 177.0826 157 N 5.0780 8.6709 118.5230 52.0268 38.3757 173.7048 158 Y 4.8110 8.0991 120.4771 55.5639 41.7233 174.2888 159 Y 4.5702 9.4656 121.5827 59.1475 38.5466 175.1336 160 K 4.7004 9.4845 116.6563 54.6684 37.7841 174.2496 161 C 5.2164 8.5090 122.0531 57.8772 33.9122 172.4623 162 F 5.4397 9.5175 126.2420 56.0424 41.0218 175.2446 163 I 4.3722 9.5497 127.1063 60.5629 37.5406 176.0922 164 L 4.5677 8.9482 127.4188 54.8059 42.4006 178.0874 165 G 2.8983 7.7428 107.5755 44.1802 0.0000 172.8786 166 G 4.0371 8.0128 108.8424 44.2187 0.0000 174.3969 167 S 4.2667 8.8557 114.1677 61.8041 62.4211 177.1844 168 V 3.5628 7.7894 119.9772 66.0293 31.2970 177.6528 169 V 3.9624 7.6847 118.6071 65.6886 31.2473 177.2848 170 Y 4.3625 8.1497 116.4274 61.2026 37.7074 178.1797 171 Q 3.9934 8.6651 120.9388 59.3404 29.1790 178.5661 172 E 4.0263 8.2957 118.1755 59.7297 29.6767 179.0621 173 F 4.1909 8.4299 119.0907 59.8156 38.6544 177.6253 174 L 4.3322 8.0833 118.1653 57.3929 41.9640 178.2141 175 E 4.1229 8.6979 118.7723 59.7521 29.5396 179.1721 176 K 4.0622 8.7005 113.9167 56.1525 32.0629 177.5205 177 K 3.9641 7.4709 117.5854 57.9288 29.8545 175.1275 178 L 4.7019 8.6477 113.8609 54.4916 42.4111 176.8223 179 I 4.7223 7.8124 120.1980 59.7412 39.0049 175.2442 180 K 4.4793 9.3477 127.5042 58.6011 33.5004 176.4722 181 K 5.3607 8.4654 116.7753 55.1227 37.3059 175.4597 182 I 5.0078 8.7771 123.1422 60.0861 40.2138 174.8153 183 Y 4.5940 9.6878 127.3976 57.0058 38.3375 173.9705 184 F 4.7546 9.0842 127.8389 56.8219 41.4063 174.4023 185 T 4.6276 8.3938 123.8678 62.5401 70.3611 174.1634 186 R 4.4458 8.5398 126.8287 54.8117 31.4944 175.8449 187 I 3.9622 8.4501 127.0893 59.4065 38.0660 176.4103 188 N 5.3204 8.1684 131.6493 51.5172 36.3611 173.9012 189 S 4.6707 7.7211 114.6921 57.9149 66.8845 175.2415 190 T 5.3171 8.0456 117.3062 61.8717 70.2164 173.4279 191 Y 4.8092 8.3761 121.1975 56.8062 43.3652 173.1400 192 E 4.7081 8.8664 120.8655 55.2215 30.9641 174.6523 193 C 5.1502 8.7288 121.3706 56.9303 31.7971 173.2377 194 D 5.0265 8.6215 118.4736 52.8017 41.3670 175.6171 195 V 4.5329 7.0156 112.5999 59.5698 35.5317 174.5777 196 F 5.3925 8.8908 122.0519 55.7139 42.9499 173.5893 197 F 4.8415 8.9258 121.8665 55.9763 40.6377 174.0449 198 P 4.3627 0.0000 0.0000 62.6964 31.6639 176.4332 199 E 4.4127 8.6681 121.9463 55.3364 28.4301 176.0524 200 I 3.6872 8.4970 126.8939 61.4952 37.6300 175.7293 201 N 4.5709 8.8940 124.7295 53.1219 38.9865 175.5798 202 E 4.3973 8.8410 124.8164 59.0451 29.8388 178.7150 203 N 4.5052 9.0932 115.3254 55.0762 38.9252 175.3284 204 E 4.5631 7.8372 117.1868 55.7205 32.3731 175.6281 205 Y 5.4756 8.3143 116.7852 56.1645 42.3622 174.6483 206 Q 4.9022 9.2439 120.4497 54.2424 32.5255 174.4693 207 I 4.1404 8.5578 122.8519 61.6752 37.2341 175.7452 208 I 4.5662 8.8424 118.5695 60.7562 39.4883 175.7407 209 S 4.7175 7.6448 118.0373 57.2885 67.4550 173.4081 210 V 4.8161 8.1939 116.3458 59.7526 34.9108 175.8685 211 S 4.6604 8.6579 120.6558 56.9878 65.3033 173.1867 212 D 4.3888 8.6598 119.0483 54.3313 41.5819 174.9784 213 V 4.4078 7.5947 121.8700 61.5232 33.2465 174.1436 214 Y 4.9238 8.8937 123.5641 56.5804 42.7531 174.0635 215 T 5.0755 8.4822 116.2044 62.0902 71.4168 174.2556 216 S 4.3566 9.4004 119.9876 58.4377 66.1245 173.7481 217 N 4.1092 9.6700 125.9107 54.7732 35.6662 173.2281 218 N 4.2405 8.1670 106.8236 54.2613 38.1664 172.8449 219 T 4.7861 7.5341 108.1883 60.6288 71.5295 172.6223 220 T 4.9951 8.2524 116.8126 60.9374 71.7246 172.9597 221 L 4.6634 8.3324 120.3178 55.3230 44.0336 172.9645 222 D 4.8984 8.0085 118.5382 51.9825 43.8420 173.7210 223 F 5.2408 9.2787 118.1122 55.6201 41.6301 174.9716 224 I 5.0199 8.9420 116.9948 59.0275 41.4675 174.3754 225 I 4.8536 8.4333 123.0637 59.8096 40.5098 174.2508 226 Y 5.0407 8.8325 124.8816 56.5043 40.2365 174.6448 227 K 5.0391 9.1798 124.2251 54.0414 35.8566 175.1865 228 K 4.3312 8.8942 128.9519 57.0024 32.4377 176.1079 229 T 4.1800 8.9959 118.8208 60.6511 70.0749 175.3422 230 N 4.8874 8.3292 126.4826 52.7287 37.3901 174.6873 231 N 4.8998 7.4998 110.2965 52.5109 40.6905 175.4543 232 K 4.2142 8.2087 123.5777 56.8722 31.6771 176.1131 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 8.20 4.72 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 2 M 8.10 4.47 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 3 E 8.72 4.44 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.70 0.00 4 Q 8.18 4.06 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.28 0.00 5 V 8.69 3.48 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 1.05 0.00 0.00 6 C 8.23 3.74 0.00 3.22 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 7 D 8.05 4.36 0.00 2.68 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 8 V 7.10 3.46 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 -0.21 0.00 0.00 0.15 0.00 0.00 9 F 8.39 4.63 0.00 3.00 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 10 D 7.45 4.52 0.00 2.55 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 6.93 4.45 2.11 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.70 0.89 0.00 0.00 12 Y 9.11 5.60 0.00 2.87 3.20 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 13 A 9.46 5.56 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 8.87 5.43 2.04 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.48 1.21 0.00 0.00 15 C 9.22 4.97 0.00 2.84 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 16 A 8.27 4.81 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 17 C 9.06 5.87 0.00 3.07 3.05 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 18 C 8.73 5.64 0.00 3.59 3.28 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 19 K 8.79 4.99 0.00 1.88 1.70 0.00 1.50 0.00 0.00 1.43 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.81 1.11 7.81 20 V 8.07 4.91 2.30 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 1.00 0.00 0.00 0.98 0.00 0.00 21 E 8.39 4.14 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 22 S 8.85 4.23 0.00 3.98 4.08 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 23 K 8.37 4.07 0.00 2.00 2.01 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.56 7.81 24 N 7.77 4.32 0.00 2.70 2.94 0.00 0.00 6.60 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 25 E 7.81 4.64 0.00 1.81 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 0.00 2.20 2.25 0.00 26 G 7.66 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 27 K 7.99 4.31 0.00 1.71 1.77 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.50 7.81 28 K 8.10 3.53 0.00 1.72 1.77 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.45 7.81 29 N 7.57 4.76 0.00 2.58 2.64 0.00 0.00 6.85 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 30 E 8.71 3.67 0.00 1.77 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 0.00 1.47 1.79 0.00 31 V 7.70 4.32 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 0.88 0.00 0.00 0.87 0.00 0.00 32 F 8.10 4.97 0.00 3.06 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 33 N 8.71 4.77 0.00 3.01 2.97 0.00 0.00 7.24 7.09 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 34 N 8.88 4.47 0.00 2.91 3.04 0.00 0.00 6.45 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 8.12 4.52 0.00 2.96 3.28 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 36 T 8.55 3.81 4.08 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 0.90 0.00 0.00 37 F 7.80 5.06 0.00 3.20 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.23 4.87 0.00 1.93 1.89 0.00 2.24 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.75 0.00 39 G 8.78 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 40 L 8.55 4.56 0.00 1.73 1.73 1.29 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.29 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 42 N 8.96 5.19 0.00 2.75 2.52 0.00 0.00 7.28 6.64 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 43 K 10.78 3.77 0.00 1.86 1.77 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.52 7.81 44 G 8.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.24 4.40 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 0.65 0.00 0.00 0.90 0.00 0.00 46 L 7.71 3.83 0.00 0.99 0.13 0.74 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.19 0.00 1.91 2.11 0.00 2.20 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.73 0.00 48 W 5.40 4.65 0.00 3.19 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 0.00 0.00 0.00 49 K 8.47 3.99 0.00 1.89 1.95 0.00 1.84 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.44 7.81 50 C 7.59 4.64 0.00 2.93 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 51 I 8.17 4.60 1.63 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.88 0.72 0.00 0.00 52 S 9.01 4.15 0.00 4.07 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.82 3.90 0.00 1.78 1.67 0.77 0.56 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 54 D 8.07 4.65 0.00 2.77 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 55 M 7.86 4.11 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.71 0.00 56 K 8.41 3.90 0.00 1.86 1.97 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.41 7.81 57 Y 8.02 3.79 0.00 2.76 3.05 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 58 F 8.46 3.93 0.00 3.26 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 59 R 8.10 3.42 0.00 1.95 1.97 0.00 3.11 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 60 A 7.65 3.82 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 61 V 7.16 3.13 1.22 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 -0.14 0.00 0.00 -0.24 0.00 0.00 62 T 7.26 3.39 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 0.20 0.00 0.00 63 T 7.35 4.38 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 64 Y 7.12 4.27 0.00 2.97 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 6.70 3.09 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 0.12 0.00 0.00 0.83 0.00 0.00 66 N 5.78 4.43 0.00 2.62 2.64 0.00 0.00 7.07 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.43 3.92 0.00 2.00 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 2.22 2.15 0.00 68 S 7.76 4.45 0.00 4.04 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 8.25 4.60 0.00 2.25 2.01 0.00 1.87 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.44 1.64 7.81 70 Y 7.97 4.25 0.00 3.17 3.14 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 71 E 8.38 3.66 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 72 K 8.01 3.91 0.00 1.82 1.95 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.52 7.81 73 L 7.33 3.92 0.00 1.80 1.47 0.67 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.84 3.57 0.00 0.91 1.72 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.31 7.81 75 Y 8.42 4.14 0.00 3.01 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 76 K 7.64 3.92 0.00 1.92 1.85 0.00 1.49 0.00 0.00 1.47 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 1.36 7.81 77 R 7.85 3.72 0.00 1.85 2.00 0.00 3.07 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.57 0.00 78 C 7.58 4.05 0.00 2.91 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 79 K 7.03 3.85 0.00 1.64 1.70 0.00 1.22 0.00 0.00 1.38 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.29 7.81 80 Y 8.19 3.98 0.00 2.88 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 81 L 8.96 3.30 0.00 1.88 0.86 1.18 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 *93 P 0.00 4.42 0.00 2.26 2.22 0.00 3.85 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.98 0.00 94 N 8.08 4.24 0.00 2.73 2.87 0.00 0.00 6.79 7.63 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 95 S 7.65 4.65 0.00 4.14 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 96 K 8.74 4.06 0.00 1.76 1.92 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.42 7.81 97 K 7.30 4.52 0.00 1.72 1.62 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.30 7.81 98 L 7.92 4.04 0.00 1.40 1.35 0.43 0.35 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 99 Q 8.13 4.69 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 100 N 8.76 5.21 0.00 2.96 3.13 0.00 0.00 6.31 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 9.06 4.73 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 0.85 0.00 0.00 0.60 0.00 0.00 102 V 8.69 4.84 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 0.89 0.00 0.00 1.11 0.00 0.00 103 V 8.81 4.48 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.87 0.00 0.00 104 M 8.78 5.27 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.88 0.00 105 G 8.79 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 0.00 106 R 8.52 4.17 0.00 1.87 2.00 0.00 3.19 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 107 T 8.08 4.17 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 8.20 4.27 0.00 2.88 3.04 0.00 0.00 6.71 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 8.64 4.12 0.00 3.52 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 9.03 4.17 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.74 0.00 111 S 7.81 4.17 0.00 3.95 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 6.61 3.65 1.61 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.57 0.84 0.00 0.00 113 P 0.00 4.55 0.00 2.14 2.03 0.00 3.90 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 2.25 2.14 0.00 114 K 8.40 3.99 0.00 1.73 1.76 0.00 1.42 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.44 7.81 115 K 7.52 3.98 0.00 0.81 1.50 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.12 1.13 7.81 116 F 7.60 4.98 0.00 3.04 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 0.00 117 K 7.47 4.68 0.00 1.49 1.49 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.62 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.82 1.08 7.81 118 P 0.00 4.57 0.00 2.40 2.38 0.00 3.88 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 2.07 2.10 0.00 119 L 9.10 4.12 0.00 1.81 1.76 1.09 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.75 4.14 0.00 4.00 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 0.00 121 N 8.82 4.55 0.00 2.86 2.90 0.00 0.00 7.04 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 4.83 0.00 1.93 1.83 0.00 3.13 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 123 I 8.91 4.23 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.94 1.14 0.00 0.00 124 N 8.65 5.15 0.00 2.72 3.01 0.00 0.00 6.85 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 8.67 4.71 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 0.95 0.00 0.00 0.95 0.00 0.00 126 I 7.70 5.55 1.41 0.00 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 -0.09 0.72 0.00 0.00 127 L 8.33 4.93 0.00 1.67 1.59 0.99 1.00 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 0.00 128 S 8.32 4.56 0.00 3.75 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.89 4.49 0.00 1.83 1.93 0.00 3.20 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 130 T 7.60 4.42 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 1.22 0.00 0.00 131 L 7.94 4.26 0.00 1.67 1.83 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.37 4.64 0.00 1.91 1.90 0.00 1.54 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.43 7.81 133 K 9.11 3.66 0.00 1.79 1.95 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.48 7.81 134 E 7.98 4.10 0.00 2.09 2.22 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 2.32 2.26 0.00 135 D 8.06 4.63 0.00 2.64 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 0.00 136 F 7.96 4.85 0.00 3.18 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.50 4.81 0.00 2.73 2.57 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 0.00 0.00 0.00 0.00 138 E 8.68 3.88 0.00 1.92 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 0.00 2.31 2.30 0.00 139 D 7.89 4.15 0.00 2.57 2.60 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 0.00 140 V 7.04 3.97 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 0.44 0.00 0.00 0.95 0.00 0.00 141 Y 7.22 4.39 0.00 2.88 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 0.00 142 I 7.95 4.90 1.73 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 0.81 -0.01 0.84 0.00 0.00 143 I 8.52 4.62 1.83 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 1.30 0.76 0.85 0.00 0.00 144 N 8.89 4.39 0.00 2.89 2.89 0.00 0.00 6.71 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 0.00 145 K 7.61 4.36 0.00 1.68 1.53 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.27 7.81 146 V 8.44 3.43 1.84 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 0.41 0.00 0.00 0.46 0.00 0.00 147 E 8.13 3.95 0.00 2.00 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 2.35 2.34 0.00 148 D 8.20 4.56 0.00 2.79 2.65 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 0.00 149 L 7.65 3.80 0.00 1.80 1.92 0.85 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 150 I 7.09 3.23 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.05 0.72 0.00 0.00 151 V 7.67 3.50 2.22 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 0.93 0.00 0.00 0.88 0.00 0.00 152 L 7.57 3.87 0.00 1.60 1.60 0.28 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 153 L 7.83 3.79 0.00 1.19 1.51 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 154 G 7.43 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.42 4.20 0.00 1.70 1.85 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.61 7.81 156 L 6.84 4.10 0.00 1.61 1.69 0.52 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 157 N 8.67 5.08 0.00 2.75 2.76 0.00 0.00 6.70 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 8.10 4.81 0.00 3.18 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 0.00 159 Y 9.47 4.57 0.00 2.83 3.28 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 0.00 160 K 9.48 4.70 0.00 1.74 1.32 0.00 1.83 0.00 0.00 1.85 0.00 0.00 2.83 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.16 0.70 7.81 161 C 8.51 5.22 0.00 2.97 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 F 9.52 5.44 0.00 3.04 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 0.00 163 I 9.55 4.37 1.91 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 1.18 0.56 0.59 0.00 0.00 164 L 8.95 4.57 0.00 1.64 1.88 1.26 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 165 G 7.74 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 0.00 0.00 0.00 166 G 8.01 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 0.00 167 S 8.86 4.27 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 0.00 168 V 7.79 3.56 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 0.99 0.00 0.00 0.95 0.00 0.00 169 V 7.68 3.96 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 1.23 0.00 0.00 0.97 0.00 0.00 170 Y 8.15 4.36 0.00 2.97 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 0.00 171 Q 8.67 3.99 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.73 0.00 172 E 8.30 4.03 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.32 0.00 173 F 8.43 4.19 0.00 3.37 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 0.00 174 L 8.08 4.33 0.00 1.96 1.85 0.82 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 175 E 8.70 4.12 0.00 2.16 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 2.36 2.62 0.00 176 K 8.70 4.06 0.00 1.69 1.81 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.44 1.50 7.81 177 K 7.47 3.96 0.00 1.91 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.61 7.81 178 L 8.65 4.70 0.00 2.00 1.91 0.95 0.76 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 0.00 179 I 7.81 4.72 2.22 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.07 1.17 0.00 0.00 180 K 9.35 4.48 0.00 1.81 1.90 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.63 1.62 7.81 181 K 8.47 5.36 0.00 2.07 1.55 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.75 7.81 182 I 8.78 5.01 2.03 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 1.24 0.62 1.02 0.00 0.00 183 Y 9.69 4.59 0.00 3.15 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 0.00 184 F 9.08 4.75 0.00 3.28 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 0.00 185 T 8.39 4.63 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 0.82 0.00 0.00 186 R 8.54 4.45 0.00 1.42 0.66 0.00 2.21 0.00 0.00 2.70 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.39 0.00 187 I 8.45 3.96 1.67 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 0.68 -0.17 0.56 0.00 0.00 188 N 8.17 5.32 0.00 2.78 2.86 0.00 0.00 7.07 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 0.00 189 S 7.72 4.67 0.00 3.71 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 0.00 190 T 8.05 5.32 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 1.21 0.00 0.00 191 Y 8.38 4.81 0.00 3.04 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 0.00 192 E 8.87 4.71 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 193 C 8.73 5.15 0.00 2.66 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 D 8.62 5.03 0.00 2.75 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 0.00 195 V 7.02 4.53 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 0.75 0.00 0.00 0.83 0.00 0.00 196 F 8.89 5.39 0.00 3.02 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 0.00 197 F 8.93 4.84 0.00 3.12 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 0.00 198 P 0.00 4.36 0.00 1.94 1.97 0.00 2.20 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.08 0.00 199 E 8.67 4.41 0.00 1.68 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 0.00 2.17 1.96 0.00 200 I 8.50 3.69 1.73 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 1.32 0.92 0.69 0.00 0.00 201 N 8.89 4.57 0.00 2.79 2.79 0.00 0.00 7.18 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 8.84 4.40 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 203 N 9.09 4.51 0.00 2.84 2.88 0.00 0.00 6.88 7.86 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 0.00 204 E 7.84 4.56 0.00 2.05 1.65 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 2.17 2.08 0.00 205 Y 8.31 5.48 0.00 2.89 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 0.00 206 Q 9.24 4.90 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 207 I 8.56 4.14 1.72 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.18 0.67 0.00 0.00 208 I 8.84 4.57 1.87 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 1.39 0.63 1.00 0.00 0.00 209 S 7.64 4.72 0.00 3.71 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 V 8.19 4.82 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 0.63 0.00 0.00 0.88 0.00 0.00 211 S 8.66 4.66 0.00 4.09 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 D 8.66 4.39 0.00 2.51 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 V 7.59 4.41 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.81 0.00 0.00 214 Y 8.89 4.92 0.00 2.87 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 0.00 215 T 8.48 5.08 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 9.40 4.36 0.00 3.74 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 0.00 217 N 9.67 4.11 0.00 2.85 2.85 0.00 0.00 7.06 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 8.17 4.24 0.00 2.84 2.90 0.00 0.00 6.99 7.70 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 0.00 219 T 7.53 4.79 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 1.18 0.00 0.00 220 T 8.25 5.00 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 1.18 0.00 0.00 221 L 8.33 4.66 0.00 1.39 1.47 0.55 0.81 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 0.00 222 D 8.01 4.90 0.00 2.78 2.60 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 0.00 223 F 9.28 5.24 0.00 2.71 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 0.00 224 I 8.94 5.02 1.56 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 1.22 0.58 0.72 0.00 0.00 225 I 8.43 4.85 1.73 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 0.99 0.61 0.46 0.00 0.00 226 Y 8.83 5.04 0.00 2.84 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 0.00 227 K 9.18 5.04 0.00 1.84 1.69 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.45 7.81 228 K 8.89 4.33 0.00 2.04 1.76 0.00 0.95 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.39 1.30 7.81 229 T 9.00 4.18 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 1.26 0.00 0.00 230 N 8.33 4.89 0.00 2.73 2.82 0.00 0.00 6.88 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 0.00 231 N 7.50 4.90 0.00 2.65 2.76 0.00 0.00 7.35 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 0.00 232 K 8.21 4.21 0.00 1.93 1.89 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.