NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.7571 8.1400 116.5613 58.0935 66.1682 172.8112 3 K 4.7378 9.3058 123.3412 53.9296 33.7306 173.2661 4 L 4.9573 9.4484 130.9864 53.3893 44.4677 174.1329 5 L 4.8000 8.8484 129.4945 53.9898 43.8747 175.0546 6 V 4.4182 8.8174 127.0618 61.3688 33.6308 174.5599 7 V 4.0606 8.4534 129.3528 61.1086 32.6079 174.2890 8 K 4.3806 8.9939 131.2151 54.4917 33.0392 176.6938 9 A 5.0238 8.4943 133.6621 51.2720 18.3415 175.3722 10 H 4.4557 7.8341 119.2722 53.6539 33.3557 171.4734 11 P 4.2748 0.0000 0.0000 64.2246 31.3886 175.8259 12 L 4.6373 7.8481 117.5490 53.1094 44.2077 175.0647 13 T 4.4774 8.1554 110.3635 59.7360 70.5450 175.8205 14 K 3.9745 8.4614 120.1477 59.8943 32.4104 178.1658 15 E 4.1183 7.7745 117.0122 58.1528 29.4501 177.1585 16 E 4.5868 8.2167 116.1824 55.8620 31.1825 176.3459 17 S 4.5198 7.5677 113.3905 55.5572 65.8118 174.1949 18 R 3.9296 8.6016 128.5281 59.4267 29.9825 179.2081 19 S 4.0469 7.9287 113.6250 61.3222 62.9277 176.5806 20 V 3.5081 7.7977 121.8695 65.4151 31.3018 177.6112 21 R 3.8476 8.0051 118.3953 59.7420 29.7610 178.1769 22 A 4.0036 8.1963 120.2686 54.9677 18.3796 179.1099 23 L 3.9032 8.0560 118.9484 58.6538 42.1496 179.2450 24 E 4.0835 8.5518 118.6457 59.5756 29.4796 179.4201 25 T 3.8825 8.0815 115.8902 66.5311 68.4589 176.3175 26 F 4.4017 8.4855 122.6148 61.5010 39.4155 177.2113 27 L 3.6703 8.5169 118.7379 57.4584 41.3514 179.2775 28 A 3.9456 7.9904 120.8089 55.3040 17.8007 179.7169 29 S 3.9782 7.8652 111.1781 61.5501 62.4657 175.6479 30 Y 4.2104 7.7096 123.7279 60.1605 38.2211 178.3721 31 R 3.9352 7.9690 118.0354 59.1316 30.2715 178.0874 32 E 4.0237 7.8438 118.0439 59.8733 29.3889 178.8637 33 T 4.0452 8.0723 115.6517 65.1931 69.8176 174.0597 34 N 5.1675 7.7896 117.1624 50.8007 38.7579 173.4091 35 P 4.4098 0.0000 0.0000 64.7254 32.1198 178.1406 36 S 4.5914 7.7717 111.6602 58.1021 63.8194 173.8545 37 D 4.6752 7.9654 122.9329 54.4562 42.0363 175.0689 38 E 4.2906 9.0260 124.4605 55.9749 30.8865 175.1510 39 I 4.9251 8.4463 127.5331 59.4649 39.8909 174.4127 40 E 4.6806 9.2084 128.1446 54.3471 32.5089 174.2806 41 I 4.7311 8.4305 127.3306 59.5506 39.3068 174.5982 42 L 4.4656 9.3017 130.1489 53.4579 44.4160 174.7938 43 D 5.1910 8.5186 127.7524 52.7444 41.5676 177.1545 44 V 3.7801 8.5119 120.1847 63.3269 31.8000 177.2522 45 Y 4.2249 7.8017 115.8226 58.4606 38.8084 176.0622 46 A 4.2686 8.0337 124.2935 51.0335 19.2855 176.7413 47 P 4.3307 0.0000 0.0000 65.6666 31.5315 178.3126 48 E 4.1678 8.1277 115.2209 58.4237 29.6209 177.9575 49 T 3.9490 7.7928 116.3893 64.4435 68.7535 174.1055 50 N 3.8516 7.7820 119.8974 52.4307 38.4401 171.5955 *52 P 4.2728 0.0000 0.0000 62.6483 32.4316 175.4503 53 E 4.6792 8.3543 119.4011 53.9633 32.2265 175.5166 54 I 3.6648 8.5156 126.8541 61.6595 37.6025 174.8148 55 D 4.6332 7.9207 124.6341 51.1898 42.3900 174.9592 56 E 3.8195 8.8314 117.7983 59.8626 29.4561 179.0549 57 E 3.8333 7.9867 118.0569 59.3159 29.4886 179.0804 58 L 3.4045 7.9429 120.1198 57.8274 42.1143 178.8660 59 L 3.7473 7.5169 119.1900 57.7076 41.4937 179.7545 60 S 4.0917 8.3271 114.4031 61.1228 62.9423 175.9962 61 A 3.8998 7.9183 124.6039 55.0868 18.0897 179.5275 62 W 4.5539 8.1013 117.1849 59.9462 29.0898 179.1466 63 G 3.5842 8.2746 105.3218 47.6889 0.0000 175.5255 64 A 3.9987 8.1232 122.7701 54.9965 18.5714 179.4547 65 L 4.2856 8.0824 116.1520 58.0130 41.6964 179.5882 66 R 4.0436 7.9101 117.9599 58.4270 31.5015 177.6481 67 A 4.4376 8.1146 122.8994 51.5719 15.3797 177.9046 68 G 3.8662 8.0355 107.3192 45.7421 0.0000 172.6128 69 A 4.0883 8.0382 121.8268 52.0214 19.1230 176.7836 70 A 4.5083 8.4461 123.1287 51.0756 19.9288 178.8627 71 F 3.8657 8.9671 124.9327 61.4788 39.8501 177.5725 72 E 4.1445 8.2376 119.1280 59.0915 29.5093 178.1769 73 T 4.0296 8.3486 109.1005 63.8781 69.2154 175.3964 74 L 4.1012 7.0355 120.4474 54.0724 42.2509 177.3555 75 S 4.2879 8.6922 117.2324 58.1443 64.8087 175.5877 76 E 3.8876 8.5271 120.8033 59.7965 29.1462 179.3184 77 N 4.3239 8.1024 115.7961 56.3910 38.6111 177.3708 78 Q 3.8561 7.7971 118.8193 59.0173 28.8464 178.6354 79 Q 3.6581 7.8977 118.9244 59.0182 28.6572 179.0413 80 Q 4.0593 8.0728 118.7331 59.0323 28.7325 179.1403 81 K 3.9729 8.1879 119.3589 59.6067 32.1285 179.5946 82 V 3.7746 8.4491 118.4957 66.0440 31.4590 177.9561 83 A 4.1176 8.3624 120.6418 55.1612 18.3505 179.6523 84 R 3.8997 8.4680 117.5549 59.3824 30.1973 178.3248 85 F 4.1150 8.7054 120.8398 61.7011 39.3723 176.9223 86 N 4.5255 8.5975 115.9576 56.3088 38.2103 177.1853 87 E 3.9954 8.5032 120.1610 59.5590 29.6167 179.5023 88 L 4.0671 7.9016 118.6613 57.9298 41.6730 179.5324 89 T 3.8570 7.6789 115.6995 66.9969 68.5767 176.4155 90 D 4.4256 8.3957 120.7500 57.0832 40.5492 178.5806 91 Q 3.9971 8.2227 119.8593 59.1710 29.3873 177.8500 92 F 4.4149 8.3013 121.5185 61.4568 39.2629 176.9175 93 L 3.7901 7.8797 117.5686 57.8055 41.4759 179.3718 94 S 4.2749 7.8055 112.1745 59.1971 63.3463 174.2415 95 A 4.2412 7.0071 126.4780 51.5653 19.0621 177.0778 96 D 4.5363 8.7316 123.8793 56.7552 42.1087 176.8315 97 K 5.1032 7.8769 115.7338 54.6129 37.0874 175.7275 98 V 5.0100 9.1607 122.6168 61.1458 35.0952 174.3298 99 V 4.6102 8.7082 127.2575 59.7957 34.0455 174.4672 100 I 4.7612 8.6993 125.0237 59.2331 40.3021 174.2163 101 A 5.6618 8.6314 128.4048 49.2259 21.9334 174.5308 102 N 5.1670 8.5299 117.3516 51.1176 40.7002 174.2802 103 P 5.0056 0.0000 0.0000 61.3389 29.8558 179.4070 *105 W 4.7469 8.6782 120.7450 57.2982 29.5115 174.6225 106 N 4.0057 9.6792 122.7849 54.6598 35.3832 174.5704 107 L 3.6373 8.3453 110.9755 55.3284 39.5278 173.8512 108 N 4.8564 7.5789 114.6526 52.2957 42.2695 174.1205 109 V 3.8791 7.8349 113.1275 60.0602 32.4982 175.4828 110 P 4.6869 0.0000 0.0000 62.4581 33.1522 177.5689 111 T 3.9446 8.8980 111.6207 65.7665 68.3870 176.6406 112 R 3.8796 8.0372 120.1873 57.8096 29.9445 178.7369 113 L 4.0206 7.9120 120.3189 57.9427 42.1838 178.2890 114 K 3.9131 8.1049 119.4805 59.8138 31.8335 178.2955 115 A 4.0465 7.9750 119.6061 54.9386 18.5263 179.2165 116 W 4.1111 8.2440 126.7853 60.6250 30.8900 178.2075 117 V 3.0751 8.1281 118.4171 66.2348 30.6312 177.4654 118 D 4.4897 8.2024 117.8792 57.6795 40.7717 178.5712 119 T 3.1410 7.4334 108.4927 62.4950 69.0883 175.2095 120 I 3.8455 6.7534 113.5545 60.3723 38.1893 175.6480 121 N 4.8907 7.5598 119.8485 51.4264 38.4630 171.4253 122 V 4.2118 8.9063 119.0083 59.8342 34.0616 174.7160 123 A 2.7667 8.0978 130.6485 53.4038 18.3849 177.5409 124 G 3.8800 8.9232 111.8094 45.2681 0.0000 173.8508 125 K 4.3669 7.6675 116.2191 57.5351 34.5235 176.8922 126 T 4.7919 8.0951 106.9025 61.4155 71.2631 173.4021 127 F 5.4649 7.5766 116.3715 55.6575 41.9755 172.9131 128 Q 4.5064 9.3068 116.3456 54.7136 32.3126 173.3064 129 Y 5.0224 8.3774 118.4086 57.4568 39.3208 174.9536 130 T 4.7219 8.7157 112.8154 59.1763 72.0385 174.7095 131 A 4.0718 8.6175 123.5626 54.7616 18.3496 178.1439 132 E 4.3433 7.7846 113.2781 55.8906 30.0415 174.6559 133 G 3.8219 7.7913 105.9348 43.3497 0.0000 171.5814 134 P 5.0770 0.0000 0.0000 62.5736 32.3781 175.6625 135 K 4.7138 8.9511 119.1580 53.7693 36.5743 174.1825 136 P 4.4808 0.0000 0.0000 62.9951 32.0314 175.9960 137 L 4.7387 8.7403 120.7601 54.7489 42.3316 176.2236 138 T 4.7583 7.6547 108.6644 60.0919 72.1521 173.3871 139 S 4.4242 8.2489 115.6473 58.1393 65.4426 175.0449 140 G 3.8874 8.8882 113.7902 45.3995 0.0000 173.8360 141 K 4.5737 7.2715 118.4425 56.1064 32.9711 176.5441 142 K 5.0081 8.7477 120.5508 55.2041 36.3970 174.9041 143 A 5.4617 9.2995 122.7249 50.2375 23.0678 174.6888 144 L 4.6121 8.8061 122.8936 53.2908 45.0031 174.5836 145 H 5.1060 9.0976 127.3412 54.8890 31.6906 173.5376 146 I 4.6383 8.9731 127.8169 59.5706 39.3257 174.5527 147 Q 5.5215 8.8898 127.9686 53.3359 33.0925 173.3190 148 S 5.3009 8.6032 119.9231 56.7808 64.8425 172.2989 149 N 5.1701 8.8275 123.6061 51.3945 42.0046 175.7250 150 G 3.4026 9.0846 109.3958 49.3311 0.0000 174.2074 151 G 3.7130 7.8335 108.0739 43.2498 0.0000 172.0594 152 F 4.8196 8.2803 117.7718 56.3960 39.8325 175.2515 153 Y 4.7339 8.9101 122.4889 56.4053 41.3169 175.5522 154 E 4.6295 8.5488 119.0586 55.9718 29.3581 177.6078 155 G 3.8327 7.8662 103.2559 46.3079 0.0000 173.3865 156 K 4.4658 7.7145 116.3828 56.1055 32.5054 177.1292 157 D 4.5484 7.5575 120.1565 52.7801 41.5256 176.8490 158 F 4.4527 8.6739 122.7551 61.4414 39.4447 177.2697 159 A 3.7088 7.8740 120.1490 55.2657 18.2780 179.6653 160 S 4.2656 8.4206 112.7320 61.4603 63.1058 176.6741 161 Q 4.0081 8.0167 121.6907 58.7625 28.4250 177.7538 162 Y 3.9998 8.0586 120.9508 60.8419 38.7526 178.3577 163 I 3.3768 7.5024 120.4319 64.2047 37.1109 178.4316 164 K 3.9177 8.1215 120.1435 59.2169 31.9535 178.5881 165 A 3.9588 8.1792 121.4276 55.3013 18.2421 179.6305 166 I 3.4706 7.3919 118.0896 64.3689 37.0462 178.5636 167 L 3.9359 7.7092 119.6161 57.9686 41.5128 179.1580 168 N 4.5062 8.3076 117.8472 55.7697 38.3187 176.8379 169 F 4.1063 8.2128 121.0395 61.1254 39.6055 176.3743 170 I 4.1250 7.4372 109.8927 60.5915 37.5350 176.6991 171 G 4.0875 7.8684 107.8427 46.4441 0.0000 174.6840 172 V 3.9832 8.2043 121.3251 61.7409 30.2839 175.8741 173 D 4.3305 8.4857 127.1989 54.9241 40.2311 176.6386 174 Q 4.3955 7.9535 119.3313 54.6683 29.8040 175.3849 175 V 4.7328 8.2878 124.6104 61.1268 33.6891 174.6940 176 D 4.8062 9.3858 128.9347 53.6438 42.5603 175.9709 177 G 3.8505 8.3421 106.7840 44.1767 0.0000 172.3839 178 L 4.3905 8.1094 124.2685 53.1300 45.0241 174.9417 179 F 5.4440 8.4061 125.5926 56.0626 40.9065 176.0385 180 I 4.4508 8.7618 126.6642 59.9378 37.4510 174.6609 181 E 5.4605 7.8937 123.6651 54.3537 32.8625 175.8683 182 G 2.8645 8.2090 108.2967 45.0305 0.0000 176.0439 183 I 3.7718 7.4579 120.3395 64.4378 37.4288 177.9501 184 D 4.3866 7.9985 118.9641 57.5145 40.8508 177.3361 185 H 4.2629 7.8750 114.8257 57.4552 29.5159 175.5202 186 F 5.0274 8.1098 118.0299 54.5920 39.2025 173.6457 187 P 4.4754 0.0000 0.0000 65.0016 31.7201 179.2400 188 D 4.5212 8.2005 117.3128 56.3798 41.0809 176.8324 189 R 4.4798 8.3490 118.0299 56.0614 30.5464 177.9542 190 A 3.9864 8.0652 121.9075 55.3217 18.3770 179.6187 191 E 3.8784 8.3413 117.4941 59.8133 29.5809 179.0141 192 E 4.0676 8.1527 116.6854 59.3084 29.9283 178.7931 193 L 4.1083 8.2436 120.0901 57.4867 41.4650 179.3862 194 L 4.0273 8.1014 118.6241 57.6554 41.6119 178.7564 195 N 4.4619 7.9307 115.9989 56.9678 39.2544 176.6298 196 T 4.0814 8.0377 116.9083 66.5484 68.4574 177.3555 197 A 4.0364 7.8255 120.2624 52.7682 18.1710 179.4971 *199 T 4.2234 7.8539 118.1784 65.2600 70.6246 176.7199 200 K 3.8430 8.0860 120.3384 59.3336 31.9308 179.2993 201 A 4.1763 8.3491 121.1632 55.6122 18.1898 179.6018 202 T 3.8444 7.9034 109.7110 65.1677 67.7846 175.3560 203 E 4.0792 8.4991 121.4895 59.6476 29.6422 178.2737 204 Y 4.5253 8.4572 117.2283 61.3773 37.8335 179.0674 205 G 3.7937 8.5119 107.8148 47.1377 0.0000 175.8040 206 K 4.1871 8.1563 120.9620 57.8130 32.1697 177.8938 207 T 4.5316 7.8110 106.7411 61.7478 70.9475 173.7133 208 F 4.6396 8.9539 128.9755 58.5168 39.3794 174.4186 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.14 4.76 0.00 3.80 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 3 K 9.31 4.74 0.00 1.83 1.66 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.46 7.81 4 L 9.45 4.96 0.00 1.60 1.42 0.98 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.85 4.80 0.00 1.84 1.56 0.98 1.26 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 6 V 8.82 4.42 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 0.80 0.00 0.00 0.91 0.00 0.00 7 V 8.45 4.06 1.42 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 0.06 0.00 0.00 -0.33 0.00 0.00 8 K 8.99 4.38 0.00 1.79 1.66 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.37 7.81 9 A 8.49 5.02 1.24 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 0.00 0.00 10 H 7.83 4.46 0.00 2.95 3.03 0.00 5.74 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 11 P 0.00 4.27 0.00 1.99 1.85 0.00 3.33 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.39 0.00 12 L 7.85 4.64 0.00 1.61 1.78 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.16 4.48 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 1.24 0.00 0.00 14 K 8.46 3.97 0.00 1.87 1.98 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.47 7.81 15 E 7.77 4.12 0.00 2.00 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 2.34 2.32 0.00 16 E 8.22 4.59 0.00 1.88 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 2.24 2.25 0.00 17 S 7.57 4.52 0.00 3.41 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.60 3.93 0.00 1.88 1.95 0.00 3.19 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 19 S 7.93 4.05 0.00 3.97 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 20 V 7.80 3.51 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 1.06 0.00 0.00 0.88 0.00 0.00 21 R 8.01 3.85 0.00 2.22 2.11 0.00 3.16 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 22 A 8.20 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.06 3.90 0.00 1.77 1.92 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.55 4.08 0.00 2.15 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 2.53 2.49 0.00 25 T 8.08 3.88 4.44 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 1.27 0.00 0.00 26 F 8.49 4.40 0.00 3.10 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 27 L 8.52 3.67 0.00 1.68 1.68 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.99 3.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.87 3.98 0.00 3.93 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 30 Y 7.71 4.21 0.00 2.30 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.97 3.94 0.00 1.90 1.97 0.00 3.24 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 32 E 7.84 4.02 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 33 T 8.07 4.05 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 1.08 0.00 0.00 34 N 7.79 5.17 0.00 2.28 2.58 0.00 0.00 6.71 7.63 0.00 0.00 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0.00 2.51 2.77 0.00 0.00 6.48 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 5.01 0.00 1.63 0.98 0.00 2.87 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.60 0.00 *105 W 8.68 4.75 0.00 3.50 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 0.00 106 N 9.68 4.01 0.00 2.93 2.92 0.00 0.00 7.20 7.85 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 0.00 107 L 8.35 3.64 0.00 1.87 1.84 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 108 N 7.58 4.86 0.00 2.78 2.70 0.00 0.00 7.09 7.59 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 0.00 109 V 7.83 3.88 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 0.79 0.00 0.00 0.93 0.00 0.00 110 P 0.00 4.69 0.00 2.26 2.04 0.00 3.58 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 111 T 8.90 3.94 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 1.31 0.00 0.00 112 R 8.04 3.88 0.00 0.96 1.57 0.00 2.21 0.00 0.00 2.99 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.20 0.00 113 L 7.91 4.02 0.00 1.79 1.88 1.04 0.72 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 0.00 114 K 8.10 3.91 0.00 1.94 2.03 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.57 7.81 115 A 7.97 4.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 W 8.24 4.11 0.00 3.43 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.13 3.08 2.31 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 0.91 0.00 0.00 1.03 0.00 0.00 118 D 8.20 4.49 0.00 2.99 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 T 7.43 3.14 3.47 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 0.76 0.00 0.00 120 I 6.75 3.85 0.56 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.05 -0.54 0.00 0.00 121 N 7.56 4.89 0.00 2.52 2.74 0.00 0.00 6.75 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.91 4.21 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 0.90 0.00 0.00 1.06 0.00 0.00 123 A 8.10 2.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.92 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 K 7.67 4.37 0.00 1.75 1.78 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.30 7.81 126 T 8.10 4.79 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 127 F 7.58 5.46 0.00 2.84 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 0.00 128 Q 9.31 4.51 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 129 Y 8.38 5.02 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 0.00 130 T 8.72 4.72 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 1.23 0.00 0.00 131 A 8.62 4.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 E 7.78 4.34 0.00 2.03 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 2.30 2.26 0.00 133 G 7.79 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.08 0.00 2.22 2.22 0.00 3.85 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 2.27 2.24 0.00 135 K 8.95 4.71 0.00 1.58 1.61 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.36 7.81 136 P 0.00 4.48 0.00 2.00 2.06 0.00 3.63 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.88 0.00 137 L 8.74 4.74 0.00 1.48 1.67 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 138 T 7.65 4.76 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 1.35 0.00 0.00 139 S 8.25 4.42 0.00 3.79 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 0.00 140 G 8.89 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 0.00 141 K 7.27 4.57 0.00 1.80 1.71 0.00 1.34 0.00 0.00 1.39 0.00 0.00 2.54 0.00 0.00 2.16 0.00 0.00 0.00 0.00 1.34 1.29 7.81 142 K 8.75 5.01 0.00 1.77 1.77 0.00 0.99 0.00 0.00 1.17 0.00 0.00 2.46 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.95 0.45 7.81 143 A 9.30 5.46 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.81 4.61 0.00 0.27 0.19 -0.32 -0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 145 H 9.10 5.11 0.00 3.12 3.06 0.00 5.61 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.97 4.64 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 0.68 0.37 0.78 0.00 0.00 147 Q 8.89 5.52 0.00 1.90 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.21 0.00 148 S 8.60 5.30 0.00 3.91 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 N 8.83 5.17 0.00 2.93 2.76 0.00 0.00 6.58 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 0.00 150 G 9.08 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 0.00 0.00 0.00 151 G 7.83 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 0.00 152 F 8.28 4.82 0.00 3.06 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 0.00 153 Y 8.91 4.73 0.00 2.85 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 0.00 154 E 8.55 4.63 0.00 2.03 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 2.34 2.24 0.00 155 G 7.87 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 0.00 0.00 0.00 0.00 156 K 7.71 4.47 0.00 1.89 1.91 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.66 1.56 7.81 157 D 7.56 4.55 0.00 2.25 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 0.00 158 F 8.67 4.45 0.00 3.04 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 0.00 159 A 7.87 3.71 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 S 8.42 4.27 0.00 4.19 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 Q 8.02 4.01 0.00 2.51 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 162 Y 8.06 4.00 0.00 2.08 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 0.00 163 I 7.50 3.38 1.74 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 1.55 0.61 0.73 0.00 0.00 164 K 8.12 3.92 0.00 1.93 1.94 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.48 7.81 165 A 8.18 3.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.39 3.47 1.45 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.83 0.66 0.00 0.00 167 L 7.71 3.94 0.00 1.88 1.76 0.96 0.72 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 0.00 168 N 8.31 4.51 0.00 2.96 2.91 0.00 0.00 6.16 8.55 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 0.00 169 F 8.21 4.11 0.00 2.93 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 0.00 170 I 7.44 4.13 2.04 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 1.76 0.82 1.01 0.00 0.00 171 G 7.87 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 0.00 172 V 8.20 3.98 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 1.13 0.00 0.00 1.15 0.00 0.00 173 D 8.49 4.33 0.00 2.84 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 0.00 174 Q 7.95 4.40 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 175 V 8.29 4.73 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 0.85 0.00 0.00 0.97 0.00 0.00 176 D 9.39 4.81 0.00 2.32 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 0.00 0.00 0.00 0.00 177 G 8.34 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 8.11 4.39 0.00 1.52 1.07 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 179 F 8.41 5.44 0.00 3.05 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 0.00 180 I 8.76 4.45 1.88 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 1.29 0.64 0.93 0.00 0.00 181 E 7.89 5.46 0.00 2.12 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 0.00 2.30 2.00 0.00 182 G 8.21 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 0.00 0.00 0.00 183 I 7.46 3.77 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.96 0.93 0.00 0.00 184 D 8.00 4.39 0.00 2.75 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 0.00 185 H 7.87 4.26 0.00 2.74 2.45 0.00 5.84 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 F 8.11 5.03 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 0.00 187 P 0.00 4.48 0.00 2.24 2.33 0.00 3.91 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 188 D 8.20 4.52 0.00 2.77 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 0.00 189 R 8.35 4.48 0.00 2.10 2.11 0.00 2.99 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 190 A 8.07 3.99 1.40 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 0.00 0.00 191 E 8.34 3.88 0.00 2.06 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 2.41 2.42 0.00 192 E 8.15 4.07 0.00 2.26 2.21 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 2.39 2.69 0.00 193 L 8.24 4.11 0.00 1.78 1.83 1.11 0.65 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 0.00 194 L 8.10 4.03 0.00 1.65 1.75 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 195 N 7.93 4.46 0.00 2.82 2.89 0.00 0.00 7.27 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 0.00 196 T 8.04 4.08 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 197 A 7.83 4.04 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 *199 T 7.85 4.22 4.42 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 0.00 0.00 0.00 1.21 0.00 0.00 200 K 8.09 3.84 0.00 2.02 1.91 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.67 7.81 201 A 8.35 4.18 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 T 7.90 3.84 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 1.25 0.00 0.00 203 E 8.50 4.08 0.00 2.16 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 2.21 2.30 0.00 204 Y 8.46 4.53 0.00 3.39 3.09 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 0.00 205 G 8.51 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 K 8.16 4.19 0.00 1.94 1.89 0.00 1.62 0.00 0.00 1.60 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.43 7.81 207 T 7.81 4.53 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 208 F 8.95 4.64 0.00 3.36 3.57 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 * Residues marked with a * may have inaccurate shift predictions.