NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8871 8.1676 115.8863 57.2705 40.2945 176.9764 11 H 3.8987 6.0535 117.6997 56.0131 28.7900 174.0251 12 E 3.9010 8.3386 121.3329 58.6365 30.3365 178.3284 13 M 4.3818 7.6090 115.1710 55.5815 32.3436 176.6469 14 R 4.4052 7.4648 116.8416 55.9075 31.9078 175.9578 15 E 4.0452 8.1659 117.9563 55.1127 29.8750 174.8244 16 P 4.4478 0.0000 0.0000 63.1648 32.1902 175.1937 17 R 4.5737 7.9212 115.9388 55.2179 33.4062 173.9545 18 I 4.1896 8.2628 121.0655 61.0428 37.2317 175.7094 19 E 4.2636 9.2325 130.0043 58.5009 29.9773 176.8123 20 K 4.7121 7.5909 115.8012 55.8875 35.9739 174.3199 21 V 4.5493 8.6157 122.6736 61.3690 33.9654 174.3349 22 V 5.1730 8.2441 129.3186 60.9191 33.1537 174.7616 23 V 4.7399 8.0603 121.4933 59.9459 33.9280 174.4410 24 H 5.1941 9.0022 124.2444 55.0286 33.4221 171.9396 25 M 4.6060 8.5546 123.2109 53.0513 33.4776 173.4725 26 G 3.5448 7.9402 108.4540 47.3051 0.0000 170.2327 27 I 3.8298 9.1054 130.5906 60.3796 36.3052 177.1305 28 G 4.6860 5.3800 127.0700 47.1681 0.0000 172.9255 29 H 4.5258 7.6618 113.0338 55.9811 30.8142 173.8945 *35 A 4.4287 7.4172 126.8142 52.1445 19.1818 180.7421 36 N 4.3955 9.2431 120.2206 57.0978 37.1361 175.3849 37 A 4.2462 7.8339 121.2954 53.3594 19.2730 178.8454 38 E 3.9338 8.1982 116.5524 59.3495 29.2619 178.8335 39 D 4.3940 8.1709 118.6361 57.5216 40.9463 178.8831 40 I 3.7310 7.3010 112.7254 64.1862 37.5045 178.2330 41 L 4.1368 7.9729 120.5398 57.3215 41.2416 179.5058 42 G 3.6653 7.9687 105.4600 47.6357 0.0000 175.7254 43 E 3.8724 7.6545 120.1270 59.4162 29.7543 178.8414 44 I 3.9227 7.7290 117.5222 64.8874 38.1352 177.0078 45 T 4.4066 8.1619 110.7064 60.6925 68.7847 173.3935 46 G 3.3830 6.4031 113.4899 43.9088 0.0000 172.5754 47 Q 4.5870 7.4118 116.5021 54.1251 31.8180 174.4858 48 M 4.1259 8.4570 118.4307 55.1519 32.4508 174.4729 49 P 4.9921 0.0000 0.0000 61.7557 34.0942 174.8243 50 V 4.5826 8.1901 112.0995 59.3053 35.7558 176.0227 51 R 4.5822 8.6864 122.3347 56.8174 31.3902 176.1464 52 T 4.5501 8.7326 116.8823 62.0731 71.6918 174.1104 53 K 5.0578 8.9339 125.1965 54.2266 34.9699 174.8909 54 A 4.7529 8.2265 121.0850 50.9029 22.3197 175.2796 55 K 4.5387 8.3673 117.5659 55.2034 35.7532 172.5226 56 R 3.9807 8.6640 127.6890 55.6830 30.1997 176.9007 57 T 4.2022 8.4312 118.9885 63.5863 69.5015 173.9166 58 V 4.4420 8.4297 124.6927 60.7851 34.1654 176.5523 59 G 3.8298 8.8608 114.9496 47.1317 0.0000 173.5887 60 E 4.3610 7.9127 120.0678 56.0725 29.0082 175.7967 61 F 4.3388 7.9642 117.0429 60.6908 39.0483 175.1186 62 D 4.9049 8.0053 116.4023 53.0178 41.4936 177.3766 63 I 3.8026 7.5081 113.0597 62.7978 38.9078 176.7741 64 R 4.0749 7.6980 121.0832 54.8424 29.7006 174.8968 65 E 3.5814 8.8655 126.4619 59.7390 29.1118 177.4362 66 G 3.9167 8.5698 112.3739 46.6400 0.0000 173.1001 67 D 4.6788 8.4588 123.6394 51.0388 42.5619 172.9331 68 P 4.3954 0.0000 0.0000 64.0502 31.5552 175.4629 69 I 4.2990 9.2890 125.9115 62.5637 40.4905 175.4434 70 G 4.4390 7.5805 106.6344 46.1727 0.0000 171.6151 71 A 5.4057 8.0021 120.6491 50.9687 23.3426 176.0178 72 K 5.5317 8.8613 117.8074 55.1369 37.1457 175.2674 73 V 4.6749 8.0597 119.3963 61.5897 35.1048 173.3286 74 T 4.7428 8.5278 118.3299 60.1755 69.9664 173.5624 75 L 4.5304 8.6427 128.0714 53.6211 43.3123 176.3736 76 R 4.8353 8.0303 121.3139 54.3330 34.4625 175.7153 77 D 4.4183 9.0116 122.0509 55.8855 39.7716 175.9156 78 E 3.9816 9.1082 127.8182 60.9448 28.8297 177.8431 79 M 4.1474 8.2922 117.8745 58.4004 31.8458 178.6938 80 A 3.9938 7.9000 120.1402 55.0494 19.0464 179.3388 81 E 4.0227 8.0884 116.6265 59.7640 29.3744 179.4872 82 E 4.0099 8.5117 117.7983 59.3763 29.6199 178.9352 83 F 4.2814 7.9947 120.5189 61.0018 39.4602 177.1919 84 L 4.2059 8.1796 118.5443 57.2790 41.3037 179.1389 85 Q 4.0954 8.2621 117.7743 58.0510 28.6509 177.6561 86 T 4.3861 7.6308 107.2699 61.3367 69.9580 175.6501 87 A 4.0635 7.3079 124.2053 54.8203 18.9359 179.1505 88 L 3.7708 7.7870 117.5140 57.5910 41.5161 177.9899 89 P 4.1739 0.0000 0.0000 65.6668 31.3138 177.5746 90 L 4.0956 7.5297 114.5510 55.8972 41.6199 176.6709 91 A 4.6553 7.6200 122.0475 50.2331 20.9383 176.7289 92 E 4.3693 8.3031 122.0269 54.1640 28.6299 175.8624 93 L 4.1489 7.9787 122.4308 54.8705 42.3960 176.4168 94 A 4.8753 8.1247 122.8525 50.7937 22.3811 176.7461 95 T 4.2254 8.5804 115.5749 66.9993 68.6302 177.3031 96 S 4.5318 8.0891 111.6337 59.4808 62.9771 173.9431 97 Q 4.5100 8.0516 119.7170 55.9851 28.4807 174.9156 98 F 5.1077 8.0290 115.9910 55.7166 42.1411 174.5130 99 D 4.8781 9.4738 124.0772 53.0682 42.2452 177.3430 100 D 4.5110 8.6722 122.7764 57.0406 40.9482 177.4704 101 T 4.3614 7.9985 114.2870 62.9368 69.3547 174.3205 102 G 3.8911 8.2867 109.3049 47.2219 0.0000 173.4386 103 N 5.5744 8.1477 114.8003 51.0960 42.7205 173.8705 104 F 5.3205 8.0422 114.1795 54.4958 41.5869 173.1367 105 S 5.1462 8.7969 116.3666 56.3654 64.8856 172.8905 106 F 4.9647 9.3161 121.2575 54.3478 41.0199 175.1051 107 G 4.2167 8.7456 107.0973 45.6965 0.0000 171.0306 *128 L 4.0446 7.9054 123.1651 55.1468 43.6744 176.5177 129 D 5.1314 8.5830 125.8066 52.5828 44.0533 175.6330 130 V 4.5501 7.7943 120.8427 61.4355 34.6838 174.2424 131 T 4.7563 8.5850 124.2313 61.5186 72.3757 173.1436 132 V 4.6124 7.5162 123.9753 61.0008 34.5608 173.7037 133 N 4.8026 9.0850 127.4957 52.3865 39.8902 173.3104 134 L 5.1809 7.5691 125.9905 53.3896 43.7579 176.5048 135 V 4.1715 7.6429 119.8896 60.7996 35.0353 172.5177 136 R 4.2115 8.4257 120.6130 55.3070 31.2618 176.4651 137 P 4.2516 0.0000 0.0000 64.2593 31.9751 176.9036 138 G 4.2658 9.0122 109.8007 44.6355 0.0000 174.3446 139 Y 4.2120 8.2246 121.0041 59.1525 39.7546 176.9054 140 R 3.8352 8.1296 119.4904 59.6430 30.0342 177.9174 141 V 3.5016 7.3455 117.5571 65.9407 31.1856 177.3812 142 A 4.4568 7.3422 119.4476 52.1955 19.0251 177.8970 143 K 4.1045 7.4251 114.7906 56.5842 33.2423 176.7121 144 R 4.2008 7.8730 115.8999 55.8365 30.2187 176.0637 145 D 4.5158 8.2584 117.1761 56.3298 41.3658 177.2577 146 K 4.0388 7.7823 117.9177 57.6723 33.4723 176.6722 147 A 4.1912 8.7395 123.9096 52.8687 16.2782 177.1822 148 S 5.0068 7.2573 112.6312 59.8206 63.7431 173.5775 149 R 4.6962 8.2108 120.8864 54.5733 33.9039 173.7821 150 S 4.4270 8.5893 118.7283 57.6820 63.4425 173.8786 151 I 3.8731 8.3011 127.3741 60.5127 37.7077 174.4451 152 P 4.4176 0.0000 0.0000 62.6426 31.5160 177.4014 153 T 3.9396 8.6786 112.3490 65.2233 68.0610 176.7142 154 K 4.0885 8.0472 119.9269 58.7693 32.3005 177.5806 155 H 4.5497 7.9568 115.9901 55.4410 30.5636 175.3505 156 R 4.1256 6.9588 118.7338 56.2967 30.5655 176.3908 157 L 4.1270 8.2908 123.4213 55.1262 43.0646 176.2401 158 N 5.1134 8.1868 119.9793 50.6877 42.8453 174.3065 159 P 4.2092 0.0000 0.0000 65.4353 31.3574 179.0119 160 A 3.8051 7.7798 119.4154 55.3110 18.6945 179.2829 161 D 4.3904 8.0325 116.0871 56.8256 40.8578 178.7989 162 A 4.0027 7.7990 122.0461 54.9581 18.4967 179.4182 163 V 3.2323 7.2754 115.9953 66.4948 31.4324 177.5108 164 A 3.8856 7.8437 119.8176 55.3015 17.8601 178.9196 165 F 4.0125 8.1327 117.9830 61.5200 39.6397 177.6704 166 I 3.6538 7.6793 117.3422 64.4842 37.3019 177.6656 167 E 4.5062 8.5979 121.6321 58.5609 29.0221 178.0648 168 S 4.4945 7.8013 111.1077 57.8539 64.0197 175.2117 169 T 3.9857 7.4463 114.8283 62.6841 70.6467 173.2767 170 Y 3.5323 7.1122 122.4389 57.4950 35.3270 167.9363 171 D 4.3376 6.5674 118.3727 53.5609 42.0729 175.4292 172 V 4.6509 8.1036 117.8552 60.9070 34.7746 175.3385 173 E 4.3361 8.3656 121.8237 56.6260 31.8419 176.6168 174 V 4.0294 8.3431 117.4145 62.9462 32.5822 173.4051 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 10 F 8.17 4.89 0.00 3.35 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 H 6.05 3.90 0.00 3.18 3.07 0.00 5.46 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.34 3.90 0.00 1.68 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 2.23 2.21 0.00 13 M 7.61 4.38 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 14 R 7.46 4.41 0.00 1.86 1.91 0.00 3.21 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 15 E 8.17 4.05 0.00 2.19 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 0.00 2.44 2.26 0.00 16 P 0.00 4.45 0.00 0.59 1.51 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.90 0.00 17 R 7.92 4.57 0.00 1.81 1.94 0.00 2.77 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 18 I 8.26 4.19 1.97 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 0.97 0.00 0.00 19 E 9.23 4.26 0.00 2.04 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 2.32 2.29 0.00 20 K 7.59 4.71 0.00 1.78 1.83 0.00 1.48 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.36 7.81 21 V 8.62 4.55 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 0.96 0.00 0.00 0.98 0.00 0.00 22 V 8.24 5.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.85 0.00 0.00 23 V 8.06 4.74 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 0.37 0.00 0.00 0.74 0.00 0.00 24 H 9.00 5.19 0.00 3.20 2.98 0.00 5.52 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.55 4.61 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 26 G 7.94 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 9.11 3.83 2.03 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 1.34 0.78 0.97 0.00 0.00 28 G 5.38 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 H 7.66 4.53 0.00 3.13 3.26 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 7.42 4.43 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 9.24 4.40 0.00 2.83 2.96 0.00 0.00 5.87 7.26 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 37 A 7.83 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.20 3.93 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 2.32 2.56 0.00 39 D 8.17 4.39 0.00 2.68 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 40 I 7.30 3.73 1.89 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 1.75 0.83 0.92 0.00 0.00 41 L 7.97 4.14 0.00 1.84 1.74 0.94 0.90 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 42 G 7.97 3.67 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 0.00 0.00 0.00 43 E 7.65 3.87 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 44 I 7.73 3.92 1.95 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 1.79 0.80 1.18 0.00 0.00 45 T 8.16 4.41 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 46 G 6.40 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 0.00 0.00 0.00 47 Q 7.41 4.59 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 48 M 8.46 4.13 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 49 P 0.00 4.99 0.00 2.04 2.02 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 50 V 8.19 4.58 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.98 0.00 0.00 51 R 8.69 4.58 0.00 1.68 1.86 0.00 3.30 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 52 T 8.73 4.55 4.36 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 1.21 0.00 0.00 53 K 8.93 5.06 0.00 1.61 1.73 0.00 1.76 0.00 0.00 0.61 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.24 7.81 54 A 8.23 4.75 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.37 4.54 0.00 1.61 1.70 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.70 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.41 7.81 56 R 8.66 3.98 0.00 1.97 1.98 0.00 3.21 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 57 T 8.43 4.20 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 1.23 0.00 0.00 58 V 8.43 4.44 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 1.00 0.00 0.00 0.97 0.00 0.00 59 G 8.86 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 60 E 7.91 4.36 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 61 F 7.96 4.34 0.00 3.02 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 62 D 8.01 4.90 0.00 2.82 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.51 3.80 1.90 0.00 0.00 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 1.29 0.51 1.00 0.00 0.00 64 R 7.70 4.07 0.00 1.72 2.00 0.00 3.20 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 65 E 8.87 3.58 0.00 1.95 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 2.29 2.32 0.00 66 G 8.57 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.46 4.68 0.00 2.64 2.68 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 0.00 0.00 0.00 0.00 68 P 0.00 4.40 0.00 1.94 2.08 0.00 3.59 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 2.02 2.13 0.00 69 I 9.29 4.30 2.00 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 1.14 1.53 0.94 0.00 0.00 70 G 7.58 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 0.00 0.00 0.00 0.00 71 A 8.00 5.41 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.86 5.53 0.00 1.76 1.87 0.00 1.51 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.18 7.81 73 V 8.06 4.67 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 0.90 0.00 0.00 0.93 0.00 0.00 74 T 8.53 4.74 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 75 L 8.64 4.53 0.00 1.54 1.64 0.36 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.03 4.84 0.00 1.63 1.78 0.00 3.34 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 77 D 9.01 4.42 0.00 2.89 1.86 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 78 E 9.11 3.98 0.00 2.04 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 2.43 2.43 0.00 79 M 8.29 4.15 0.00 2.03 2.29 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.60 0.00 80 A 7.90 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.09 4.02 0.00 2.13 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 2.44 2.61 0.00 82 E 8.51 4.01 0.00 2.04 2.07 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 2.38 2.46 0.00 83 F 7.99 4.28 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 84 L 8.18 4.21 0.00 2.04 1.85 1.14 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.26 4.10 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 86 T 7.63 4.39 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 1.14 0.00 0.00 87 A 7.31 4.06 1.02 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 0.00 0.00 88 L 7.79 3.77 0.00 1.72 1.70 1.03 1.30 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 89 P 0.00 4.17 0.00 1.98 2.08 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 90 L 7.53 4.10 0.00 1.77 1.74 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.62 4.66 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.30 4.37 0.00 1.95 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 2.22 2.29 0.00 93 L 7.98 4.15 0.00 1.58 1.59 0.79 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.12 4.88 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.58 4.23 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 96 S 8.09 4.53 0.00 4.03 4.02 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 97 Q 8.05 4.51 0.00 2.26 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 98 F 8.03 5.11 0.00 3.01 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 9.47 4.88 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 0.00 100 D 8.67 4.51 0.00 2.72 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 0.00 101 T 8.00 4.36 4.51 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 1.23 0.00 0.00 102 G 8.29 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 0.00 103 N 8.15 5.57 0.00 2.86 2.68 0.00 0.00 6.47 8.13 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 0.00 104 F 8.04 5.32 0.00 2.89 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 0.00 0.00 0.00 0.00 105 S 8.80 5.15 0.00 3.77 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 0.00 106 F 9.32 4.96 0.00 3.10 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 0.00 107 G 8.75 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *128 L 7.91 4.04 0.00 1.77 1.61 0.95 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.58 5.13 0.00 2.64 2.44 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 0.00 130 V 7.79 4.55 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.92 0.00 0.00 131 T 8.58 4.76 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 1.08 0.00 0.00 132 V 7.52 4.61 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.79 0.00 0.00 133 N 9.09 4.80 0.00 2.77 2.64 0.00 0.00 6.71 6.88 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 0.00 134 L 7.57 5.18 0.00 1.84 1.48 1.37 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.64 4.17 1.46 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 0.27 0.00 0.00 0.44 0.00 0.00 136 R 8.43 4.21 0.00 1.81 1.86 0.00 3.26 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.56 0.00 137 P 0.00 4.25 0.00 2.26 2.10 0.00 3.78 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 2.00 2.15 0.00 138 G 9.01 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 8.22 4.21 0.00 2.95 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 0.00 140 R 8.13 3.84 0.00 1.92 1.92 0.00 3.25 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 141 V 7.35 3.50 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 0.97 0.00 0.00 0.96 0.00 0.00 142 A 7.34 4.46 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.43 4.10 0.00 1.59 1.75 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.78 1.13 7.81 144 R 7.87 4.20 0.00 1.86 1.98 0.00 3.03 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.56 0.00 145 D 8.26 4.52 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 K 7.78 4.04 0.00 1.92 1.92 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.42 7.81 147 A 8.74 4.19 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 0.00 148 S 7.26 5.01 0.00 3.77 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 0.00 149 R 8.21 4.70 0.00 1.87 1.71 0.00 3.21 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 150 S 8.59 4.43 0.00 3.92 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.30 3.87 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.17 1.01 0.00 0.00 152 P 0.00 4.42 0.00 2.21 1.99 0.00 3.64 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 2.12 2.09 0.00 153 T 8.68 3.94 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 0.00 154 K 8.05 4.09 0.00 1.77 1.94 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.57 7.81 155 H 7.96 4.55 0.00 3.16 3.34 0.00 5.95 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 6.96 4.13 0.00 2.07 1.87 0.00 3.44 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.75 0.00 157 L 8.29 4.13 0.00 1.51 1.73 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.19 5.11 0.00 2.78 2.65 0.00 0.00 6.94 8.03 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 0.00 159 P 0.00 4.21 0.00 2.09 2.06 0.00 3.58 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.34 0.00 160 A 7.78 3.81 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 0.00 161 D 8.03 4.39 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 A 7.80 4.00 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 0.00 163 V 7.28 3.23 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.29 0.00 0.00 164 A 7.84 3.89 1.35 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 0.00 0.00 165 F 8.13 4.01 0.00 3.04 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 0.00 166 I 7.68 3.65 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.08 0.84 0.00 0.00 167 E 8.60 4.51 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 168 S 7.80 4.49 0.00 3.84 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 0.00 169 T 7.45 3.99 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 1.17 0.00 0.00 170 Y 7.11 3.53 0.00 3.09 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 0.00 171 D 6.57 4.34 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 V 8.10 4.65 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.91 0.00 0.00 173 E 8.37 4.34 0.00 2.07 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 0.00 2.36 2.26 0.00 174 V 8.34 4.03 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 1.07 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.