NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2760 8.3449 121.7116 55.6696 30.2367 174.8923 4 L 4.0392 8.3512 124.7797 54.3380 42.4612 175.0301 5 T 4.3898 9.0321 119.5501 62.0797 70.0427 174.1436 6 L 4.5841 8.3990 127.4661 53.7671 42.9113 176.6462 7 D 4.9372 8.8544 123.6446 51.0142 43.2506 177.2985 8 K 3.9749 8.3495 119.1895 60.3136 32.1211 178.1087 9 T 3.9134 7.9625 115.2826 66.6519 68.4251 176.3907 10 D 4.3688 8.6667 121.0516 57.3210 40.7999 178.8425 11 I 3.6837 7.9201 120.3921 64.2478 37.0483 178.2859 12 K 4.1611 8.0478 121.7239 58.9552 31.9524 178.7047 13 I 3.7076 7.8873 119.9650 64.5625 36.9981 178.4462 14 L 4.0274 7.9717 119.6491 57.7766 41.2176 179.6290 15 Q 3.9716 8.5181 118.4753 58.9015 28.6760 178.9746 16 V 3.6743 8.0828 119.5113 66.1946 31.3983 178.1459 17 L 4.4098 7.8337 118.6296 57.1969 41.5574 178.9563 18 Q 4.1371 8.2137 117.6273 58.8797 28.6618 178.2980 19 E 4.4822 7.7449 117.0549 57.0438 31.1337 176.3847 20 N 4.9628 8.1860 116.2506 51.0462 39.1814 175.0052 21 G 3.8102 8.3986 109.4914 47.1865 0.0000 171.8507 22 R 4.4480 7.6732 118.5377 55.6895 30.4305 175.3665 23 L 4.2112 7.7636 116.4625 54.4533 42.1794 177.7923 24 T 4.1239 8.9118 114.3247 61.2279 70.8329 175.2502 25 N 4.2421 8.5531 119.2836 56.7524 38.8769 176.9327 26 V 3.5497 7.6929 119.0861 66.1576 31.4935 177.7090 27 E 4.1153 7.7928 116.5371 59.1921 29.6264 178.9235 28 L 4.0754 8.2714 120.7501 58.3133 41.8796 178.9485 29 S 4.1174 8.6969 113.4178 61.4475 62.0404 175.7869 30 E 4.0583 8.2216 120.8250 58.7829 29.3275 178.5773 31 R 4.4454 7.6759 112.3823 56.4470 30.3038 177.5780 32 V 4.1704 7.3202 110.3596 60.1410 32.8526 174.9286 33 A 3.7174 8.2045 119.9602 53.3183 15.4238 177.5513 34 L 4.8196 7.6860 117.8708 53.4003 45.6965 177.9053 35 S 4.3489 8.4593 118.1990 57.9421 64.7984 173.9167 36 P 4.2599 0.0000 0.0000 65.7569 31.0415 179.0125 37 S 4.0646 8.0008 111.6674 60.9541 62.5124 174.3480 38 P 4.2978 0.0000 0.0000 65.7937 30.9276 177.8926 39 C 4.0655 8.1154 118.6411 62.2097 31.5350 175.0533 40 L 3.9280 8.0058 122.0280 58.2811 41.6620 178.9635 41 R 3.8718 7.9609 118.4397 59.5070 30.0551 178.4757 42 R 4.1844 8.0977 119.8937 58.7691 30.0094 178.1983 43 L 3.9918 8.0553 120.2899 58.0303 42.0772 178.9172 44 K 3.9884 7.9975 119.2272 59.4714 31.9267 178.7749 45 Q 4.0118 8.1883 118.4527 59.0492 28.6631 178.9164 46 L 4.1135 8.0443 119.9337 57.6426 41.5356 179.5028 47 E 4.1679 8.3328 119.9423 59.2379 29.3205 179.2389 48 D 4.3822 8.5574 117.3085 56.9765 40.9334 178.0105 49 A 4.2767 8.0783 119.3804 52.2290 18.5718 178.1902 50 G 3.8694 8.0858 105.5973 45.9541 0.0000 175.3177 51 I 3.7026 7.7238 121.1821 63.9722 37.4862 176.9758 52 V 3.7628 7.6202 123.7761 62.1171 30.9529 176.1179 53 R 4.2939 8.1070 124.1763 57.1595 30.4721 176.2304 54 Q 4.3535 7.0866 115.5793 55.5162 31.5589 171.9560 55 Y 4.6520 8.5268 120.8521 56.1169 39.9346 175.2363 56 A 4.6527 8.3823 125.9136 49.8714 22.1002 175.4477 57 A 4.1203 8.7057 125.9797 52.0190 19.0364 176.6687 58 L 4.6342 8.4020 123.0920 52.9593 43.5316 176.1114 59 L 4.6475 8.0801 122.6140 52.7266 43.9073 175.8733 60 S 4.3824 8.2613 115.5678 57.1463 63.1430 173.2117 61 P 3.9770 0.0000 0.0000 65.7868 31.2457 178.5621 62 E 4.1437 8.1904 117.2184 59.2357 29.2521 179.2460 63 S 4.2886 7.8192 113.5499 60.3490 62.9170 175.2780 64 V 4.3121 6.8308 115.0360 60.8379 32.3578 174.6863 65 N 4.2195 8.0328 115.1330 55.0900 37.7409 173.5320 66 L 4.8846 8.1645 117.6470 53.0130 40.3941 176.9149 67 G 3.8983 8.5195 107.4634 46.6979 0.0000 170.2779 68 L 4.8137 8.5258 124.2208 53.3129 44.6060 174.6109 69 Q 4.5994 8.7275 127.5001 54.0620 31.5015 173.7447 70 A 5.0210 8.7139 127.9850 50.0323 22.5691 174.6377 71 F 4.9932 9.0624 120.6164 55.8493 41.5022 174.8167 72 I 4.8139 9.0675 125.8632 59.6231 39.6650 175.2126 73 R 4.9219 9.3054 128.1235 55.2990 31.3123 175.6421 74 V 4.7148 9.1592 125.4566 61.1305 34.0533 174.2012 75 S 5.0850 9.1497 123.1664 56.8904 63.8461 172.8584 76 I 4.4390 8.6056 127.9583 60.1358 38.9347 175.5731 77 R 4.0467 8.8101 127.4261 56.0467 30.7301 177.6197 78 K 4.2264 8.5399 124.4954 55.0138 30.7934 175.3402 79 A 4.7687 7.5297 124.8834 49.1024 22.8417 175.6799 80 K 3.9907 8.3902 120.8030 57.8477 32.8954 177.2692 81 D 4.7116 9.0250 123.5640 54.8911 39.1712 175.8397 82 A 3.9947 7.8194 122.0423 55.4755 18.2776 179.9936 83 R 3.9817 7.9994 115.8685 59.4645 30.2244 179.1312 84 E 3.9800 8.1345 117.8889 59.5633 29.6078 178.9741 85 D 4.3668 8.6811 119.3756 57.1643 40.7843 178.6155 86 F 3.8054 8.5330 121.3190 61.0479 39.4991 177.0074 87 A 3.5624 8.1658 120.4206 55.0404 17.9576 179.4358 88 A 3.7904 7.6397 117.9733 55.2218 18.6050 179.9145 89 S 3.6569 7.5288 113.5268 61.5141 62.9652 176.7074 90 V 2.6436 6.3435 121.0400 66.0510 30.7709 178.2368 91 R 3.9063 7.2229 115.5093 57.9332 29.8899 178.0106 92 K 4.6237 7.3511 116.3606 54.8375 32.8389 176.1696 93 W 4.9392 7.4780 121.4039 54.5818 28.7892 175.2918 94 P 4.3112 0.0000 0.0000 65.1791 31.1635 178.2868 95 E 3.6456 8.0676 115.8492 58.1283 29.5578 176.3383 96 V 4.3412 7.3829 119.8403 61.6042 31.8334 175.0856 97 L 4.3742 8.8006 128.6846 56.8049 42.5556 177.7634 98 S 4.6148 7.8466 112.8793 56.7762 67.3938 173.0040 99 C 5.1538 7.7740 122.2224 58.0198 34.4983 172.9603 100 F 5.1364 9.3905 124.3043 55.4229 42.4189 174.1758 101 A 4.2877 9.0406 125.9003 51.9375 18.7721 176.4083 102 L 4.9672 8.2082 121.8406 52.9348 45.1055 177.0836 103 T 4.1639 8.6673 109.4889 63.0848 70.1533 176.2023 104 G 4.1082 7.6244 115.6166 45.3330 0.0000 174.5829 105 E 4.0524 8.7357 118.4700 58.7900 30.2371 177.4677 106 T 4.2582 7.6926 116.7198 62.8742 69.4252 174.0186 107 D 4.4340 8.9276 126.8850 57.1072 42.1019 175.9589 108 Y 5.3007 8.2724 115.3292 56.0646 42.3241 173.9721 109 L 5.3079 9.3548 126.1170 53.4830 44.5589 174.8529 110 L 5.3163 9.3168 126.4922 53.0324 44.9514 175.0667 111 Q 4.7619 8.9311 123.7913 54.2309 31.3226 174.1284 112 A 5.1438 8.6505 127.1654 50.2266 23.1810 174.3539 113 F 5.1350 8.5621 118.1605 55.7789 41.9465 174.9090 114 F 4.9782 9.6434 120.4279 56.0575 43.4295 176.1464 115 T 4.5545 9.2158 110.2466 64.3299 70.7122 174.3342 116 D 4.3587 7.9261 124.3078 53.2204 45.7440 176.1766 *118 N 4.4794 9.3693 116.2496 53.3734 40.9880 175.1251 119 A 4.0987 8.6798 120.0074 55.1524 18.3652 179.0885 120 F 2.9228 8.2097 119.2333 61.3864 39.1956 177.6192 121 S 3.9663 7.9550 113.8854 61.8764 62.6564 176.0064 122 H 4.2329 8.0726 118.8481 58.9273 28.3804 177.5946 123 F 3.9927 8.1235 122.1119 61.1678 39.2421 177.2033 124 V 2.8871 7.3474 117.9117 65.8596 31.0505 178.0524 125 L 3.8586 7.6640 117.3500 57.7039 41.6231 178.6672 126 D 4.5286 8.0177 117.1291 55.6128 41.1413 177.6117 127 T 4.2157 7.0978 112.8682 64.9840 70.7437 175.7244 128 L 3.7085 6.9203 122.2044 57.8869 41.9426 178.9135 129 L 4.0165 8.0110 119.3912 57.1394 41.7605 178.4447 130 S 4.4136 7.7447 110.9394 58.7145 63.9621 173.8338 131 H 4.3533 8.1820 123.5776 56.2296 30.0697 175.7713 132 H 4.2874 8.9264 122.4951 58.5055 28.6806 176.4034 133 G 3.7506 8.1339 105.9331 47.2489 0.0000 173.1781 134 V 4.2391 7.6531 121.6006 61.7826 31.8216 175.4374 135 Q 4.1779 9.0446 130.6673 58.8295 29.5862 174.9979 136 D 4.7441 7.6554 115.5971 53.4624 44.8788 173.3287 137 A 5.3736 8.3940 122.4361 50.3176 22.5128 175.4439 138 Q 4.7143 9.2156 117.7792 54.7613 32.4115 174.1866 139 S 5.1470 8.6647 115.5903 57.0351 67.2585 172.9369 140 S 4.5686 8.6711 115.8680 56.5928 66.1957 172.5714 141 F 5.3039 8.4121 120.5626 55.2960 42.8645 174.9081 142 V 3.7900 8.5492 122.3693 63.2253 31.0610 176.0367 143 L 4.3102 8.7435 128.4332 56.8659 42.3059 177.3214 144 K 4.3558 7.5692 116.3168 55.2399 34.9311 173.9030 145 E 4.4128 8.7779 127.3292 55.3008 30.0270 175.6471 146 I 4.0896 8.4385 127.7202 63.3782 37.9172 176.3810 147 K 4.5243 7.6160 118.1824 55.5264 34.8761 175.0363 148 H 4.6255 8.4291 124.7613 56.0260 30.5664 172.2504 149 T 4.6431 8.1895 120.5808 60.4011 70.3604 173.6129 150 T 4.3537 8.2538 114.1225 61.7090 69.7182 174.9319 151 S 4.4941 7.8346 120.1615 58.2086 63.3015 174.1085 152 L 4.3390 9.1067 126.5750 53.2452 42.2719 175.1886 153 P 4.4507 0.0000 0.0000 63.0365 32.0150 176.1477 154 L 4.7212 8.3161 118.8558 54.2497 43.5411 177.8212 155 N 4.3755 8.2138 119.0948 56.5561 39.1658 176.4144 156 H 4.2573 8.3170 112.8137 58.2747 28.5280 176.2601 157 L 4.0857 7.4153 118.6147 56.1199 41.8579 176.8649 158 L 4.2026 7.6128 123.4888 54.8518 41.6008 176.4225 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 3 Q 8.34 4.28 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 4 L 8.35 4.04 0.00 1.76 1.58 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.03 4.39 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 1.21 0.00 0.00 6 L 8.40 4.58 0.00 1.62 1.59 0.91 1.07 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 7 D 8.85 4.94 0.00 2.90 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 8 K 8.35 3.97 0.00 1.84 1.86 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.58 7.81 9 T 7.96 3.91 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 10 D 8.67 4.37 0.00 2.86 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 11 I 7.92 3.68 2.02 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 1.63 0.86 0.90 0.00 0.00 12 K 8.05 4.16 0.00 1.95 2.00 0.00 1.58 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.40 7.81 13 I 7.89 3.71 2.06 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 1.53 0.74 0.94 0.00 0.00 14 L 7.97 4.03 0.00 1.87 1.72 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.52 3.97 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 16 V 8.08 3.67 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.95 0.00 0.00 17 L 7.83 4.41 0.00 1.74 1.88 1.04 0.87 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 18 Q 8.21 4.14 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 19 E 7.74 4.48 0.00 2.12 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 2.53 2.49 0.00 20 N 8.19 4.96 0.00 2.71 2.69 0.00 0.00 6.83 7.44 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 21 G 8.40 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.67 4.45 0.00 1.73 1.86 0.00 3.23 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 23 L 7.76 4.21 0.00 1.66 1.58 0.93 0.95 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 24 T 8.91 4.12 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 1.22 0.00 0.00 25 N 8.55 4.24 0.00 2.83 2.84 0.00 0.00 6.50 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 26 V 7.69 3.55 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 1.01 0.00 0.00 0.92 0.00 0.00 27 E 7.79 4.12 0.00 2.16 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 2.34 2.30 0.00 28 L 8.27 4.08 0.00 1.80 1.83 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.70 4.12 0.00 3.90 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 30 E 8.22 4.06 0.00 2.22 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 2.35 2.44 0.00 31 R 7.68 4.45 0.00 1.98 2.03 0.00 3.03 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 32 V 7.32 4.17 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 0.84 0.00 0.00 0.98 0.00 0.00 33 A 8.20 3.72 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 34 L 7.69 4.82 0.00 1.59 1.53 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.46 4.35 0.00 3.86 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 36 P 0.00 4.26 0.00 2.15 2.09 0.00 3.60 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 2.11 2.14 0.00 37 S 8.00 4.06 0.00 3.88 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 38 P 0.00 4.30 0.00 2.30 2.30 0.00 3.76 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 2.29 2.02 0.00 39 C 8.12 4.07 0.00 3.15 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 40 L 8.01 3.93 0.00 1.95 1.84 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.96 3.87 0.00 1.94 2.05 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 42 R 8.10 4.18 0.00 2.10 1.92 0.00 3.33 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.55 0.00 43 L 8.06 3.99 0.00 2.00 1.68 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.00 3.99 0.00 1.88 1.93 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.50 7.81 45 Q 8.19 4.01 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 46 L 8.04 4.11 0.00 1.91 1.73 0.94 0.82 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 47 E 8.33 4.17 0.00 2.22 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 2.41 2.37 0.00 48 D 8.56 4.38 0.00 2.66 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 49 A 8.08 4.28 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 50 G 8.09 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 0.00 0.00 0.00 51 I 7.72 3.70 2.01 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 1.18 0.57 0.90 0.00 0.00 52 V 7.62 3.76 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 0.45 0.00 0.00 0.90 0.00 0.00 53 R 8.11 4.29 0.00 1.91 1.99 0.00 3.11 0.00 0.00 3.14 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 54 Q 7.09 4.35 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 55 Y 8.53 4.65 0.00 3.03 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 56 A 8.38 4.65 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.71 4.12 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.40 4.63 0.00 1.62 1.58 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.08 4.65 0.00 1.52 1.50 0.87 0.87 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 60 S 8.26 4.38 0.00 3.85 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 61 P 0.00 3.98 0.00 2.37 1.98 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.90 0.00 62 E 8.19 4.14 0.00 2.08 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 2.44 2.48 0.00 63 S 7.82 4.29 0.00 3.96 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 64 V 6.83 4.31 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 0.66 0.00 0.00 0.96 0.00 0.00 65 N 8.03 4.22 0.00 3.00 2.84 0.00 0.00 7.10 6.14 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 66 L 8.16 4.88 0.00 1.67 1.80 0.76 0.83 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 67 G 8.52 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.53 4.81 0.00 1.77 1.81 0.70 0.60 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 69 Q 8.73 4.60 0.00 1.68 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.62 0.00 0.00 0.00 0.00 0.00 1.66 1.16 0.00 70 A 8.71 5.02 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 0.00 0.00 0.00 0.00 0.00 0.00 71 F 9.06 4.99 0.00 2.83 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 72 I 9.07 4.81 2.10 0.00 0.00 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 1.51 0.92 1.10 0.00 0.00 73 R 9.31 4.92 0.00 1.86 1.93 0.00 3.11 0.00 0.00 3.12 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 74 V 9.16 4.71 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 1.11 0.00 0.00 75 S 9.15 5.08 0.00 3.89 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.61 4.44 2.01 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.89 1.04 0.00 0.00 77 R 8.81 4.05 0.00 1.70 1.85 0.00 3.42 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 78 K 8.54 4.23 0.00 1.72 1.74 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.38 7.81 79 A 7.53 4.77 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 80 K 8.39 3.99 0.00 1.72 1.75 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.54 7.81 81 D 9.02 4.71 0.00 3.02 3.19 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 0.00 82 A 7.82 3.99 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 83 R 8.00 3.98 0.00 1.97 2.19 0.00 3.21 0.00 0.00 3.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.83 0.00 84 E 8.13 3.98 0.00 2.08 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 2.42 2.48 0.00 85 D 8.68 4.37 0.00 2.75 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 86 F 8.53 3.81 0.00 2.93 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 87 A 8.17 3.56 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.64 3.79 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 89 S 7.53 3.66 0.00 3.29 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 90 V 6.34 2.64 1.53 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 0.82 0.00 0.00 -0.55 0.00 0.00 91 R 7.22 3.91 0.00 1.81 1.84 0.00 3.10 0.00 0.00 3.13 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 92 K 7.35 4.62 0.00 1.64 1.80 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.50 7.81 93 W 7.48 4.94 0.00 3.56 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.31 0.00 2.00 2.09 0.00 3.76 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 95 E 8.07 3.65 0.00 1.16 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 1.74 1.47 0.00 96 V 7.38 4.34 2.33 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 0.87 0.00 0.00 1.10 0.00 0.00 97 L 8.80 4.37 0.00 1.73 1.75 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 98 S 7.85 4.61 0.00 3.78 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 C 7.77 5.15 0.00 2.83 2.59 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 0.00 100 F 9.39 5.14 0.00 3.06 2.92 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 0.00 101 A 9.04 4.29 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 0.00 102 L 8.21 4.97 0.00 1.70 1.55 0.97 0.93 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 0.00 103 T 8.67 4.16 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 1.19 0.00 0.00 104 G 7.62 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.74 4.05 0.00 2.08 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 2.27 2.33 0.00 106 T 7.69 4.26 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 1.28 0.00 0.00 107 D 8.93 4.43 0.00 2.89 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.29 0.00 0.00 116 D 7.93 4.36 0.00 2.87 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 0.00 0.00 0.00 *118 N 9.37 4.48 0.00 2.83 3.06 0.00 0.00 6.78 7.77 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 0.00 119 A 8.68 4.10 1.58 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 0.00 0.00 120 F 8.21 2.92 0.00 2.71 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 0.00 121 S 7.96 3.97 0.00 3.94 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 0.00 122 H 8.07 4.23 0.00 3.38 3.35 0.00 5.64 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 0.00 123 F 8.12 3.99 0.00 3.20 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 0.00 124 V 7.35 2.89 1.67 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 0.87 0.00 0.00 0.06 0.00 0.00 125 L 7.66 3.86 0.00 1.66 1.64 0.87 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.02 4.53 0.00 2.62 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 0.00 127 T 7.10 4.22 3.68 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 0.35 0.00 0.00 128 L 6.92 3.71 0.00 0.49 1.08 1.21 0.98 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 0.00 129 L 8.01 4.02 0.00 1.59 1.66 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 130 S 7.74 4.41 0.00 3.96 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 0.00 131 H 8.18 4.35 0.00 3.67 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.93 4.29 0.00 3.32 3.43 0.00 5.57 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 0.00 133 G 8.13 3.75 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 0.00 0.00 0.00 134 V 7.65 4.24 2.32 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 0.70 0.00 0.00 0.84 0.00 0.00 135 Q 9.04 4.18 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.40 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 136 D 7.66 4.74 0.00 2.80 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 0.00 137 A 8.39 5.37 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Q 9.22 4.71 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.65 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 139 S 8.66 5.15 0.00 3.66 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.67 4.57 0.00 3.74 3.56 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 0.00 141 F 8.41 5.30 0.00 2.86 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 0.00 142 V 8.55 3.79 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 0.82 0.00 0.00 1.18 0.00 0.00 143 L 8.74 4.31 0.00 1.70 1.72 0.94 0.90 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 0.00 144 K 7.57 4.36 0.00 1.69 1.65 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.42 7.81 145 E 8.78 4.41 0.00 2.03 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 2.32 2.40 0.00 146 I 8.44 4.09 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.56 0.92 0.00 0.00 147 K 7.62 4.52 0.00 1.69 1.65 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.45 7.81 148 H 8.43 4.63 0.00 3.12 3.39 0.00 5.92 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.19 4.64 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 1.22 0.00 0.00 150 T 8.25 4.35 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 1.19 0.00 0.00 151 S 7.83 4.49 0.00 3.91 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 9.11 4.34 0.00 1.60 1.61 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.45 0.00 2.20 2.07 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 154 L 8.32 4.72 0.00 1.68 1.63 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.21 4.38 0.00 2.74 2.83 0.00 0.00 6.89 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 H 8.32 4.26 0.00 3.31 3.42 0.00 5.58 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.42 4.09 0.00 1.69 1.69 0.86 0.99 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 0.00 158 L 7.61 4.20 0.00 1.78 1.56 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.