NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5467 8.1576 120.0869 56.3463 34.0931 174.0844 3 I 5.0913 8.4858 117.0314 58.8517 40.2441 173.3212 4 R 4.7027 9.3409 123.3179 54.5184 34.6309 175.2762 5 I 4.8761 8.3796 122.7981 59.6587 40.5397 174.3531 6 G 4.5522 9.0226 114.0324 44.8854 0.0000 170.6721 7 H 5.4667 8.8580 119.9093 54.1181 32.7949 172.6876 8 G 4.3249 9.0606 112.3353 44.4507 0.0000 171.3937 9 F 5.3816 8.5421 123.2168 56.4946 42.4087 173.0078 10 D 4.6089 8.1664 124.0460 52.8529 45.1381 173.8609 11 V 4.9624 7.7523 121.5080 60.6540 34.8695 173.9044 12 H 4.9088 8.4177 122.2111 53.8757 33.5846 172.0162 13 K 4.6775 8.3353 121.2626 55.2279 33.8464 176.1397 14 F 5.0145 8.4478 125.2823 57.9027 39.5824 174.2859 15 G 3.3909 8.2852 110.4716 45.1438 0.0000 173.3377 16 E 4.5325 8.1171 123.4008 53.9040 30.9717 173.9944 17 P 4.6240 0.0000 0.0000 61.3609 29.8073 174.8561 18 R 4.6676 7.4680 121.5067 54.4593 32.9047 173.2693 19 P 4.3361 0.0000 0.0000 63.1521 32.1152 176.3293 20 L 4.3298 8.6785 125.9668 54.6768 42.8370 174.9956 21 I 4.8376 8.2565 127.9581 59.4765 39.7782 175.0809 22 L 4.7578 8.6495 127.1885 53.9352 44.3226 176.3260 23 C 4.0893 10.1012 124.6783 60.4333 29.9192 173.6236 24 G 3.8969 8.8641 103.7334 45.2678 0.0000 174.0280 25 V 4.3008 7.4743 119.5410 60.3896 33.7081 174.0243 26 E 4.5916 8.7452 128.2704 55.9965 30.1651 175.4921 27 V 4.2370 8.2965 127.6972 60.1294 33.3540 173.5822 28 P 4.4283 0.0000 0.0000 63.3775 31.4870 175.0862 29 Y 4.7480 8.2984 122.7998 56.4371 41.4284 174.7531 30 E 3.6628 7.4725 122.0561 58.9380 29.7590 176.2033 31 T 4.5616 7.0919 112.1596 60.9344 71.0248 171.4960 32 G 4.6024 8.8342 111.0444 43.7746 0.0000 171.6107 33 L 5.2495 8.3854 118.9982 52.9954 43.5522 176.9012 34 V 3.9414 8.6861 124.1783 62.8988 32.0297 174.9406 35 A 4.3540 8.0549 127.1237 51.9381 21.6272 175.9386 36 H 4.3081 8.7384 119.1293 59.3493 30.4849 175.6577 37 S 4.7039 7.6747 113.3432 57.7415 64.8003 173.3251 38 D 4.3604 8.2896 119.7555 54.7683 39.1267 177.1256 39 G 3.6266 7.7016 106.9017 46.3741 0.0000 174.8940 40 D 4.7325 8.1270 122.0229 52.4979 39.8644 176.6290 41 V 3.8328 7.8847 127.8873 63.6372 31.4489 178.5167 42 V 3.4720 7.6433 118.3001 65.9957 31.5521 177.9564 43 L 4.0259 8.1024 118.7065 57.8429 41.2967 179.2016 44 H 4.2019 8.3273 116.1272 58.9654 28.7280 177.6225 45 A 3.9616 7.8912 122.1946 55.1896 18.1991 179.7682 46 I 3.6676 7.7405 118.2720 64.5421 36.6950 178.7422 47 S 4.1886 8.4597 116.3908 61.9548 62.6969 176.6611 48 D 4.3836 8.4248 121.3185 57.1854 40.4063 178.7197 49 A 4.0985 8.0738 121.4660 55.0628 18.1183 179.8727 50 I 3.6910 7.6713 117.3911 64.5450 37.5140 178.1481 51 L 4.1935 8.2791 120.3389 57.8297 41.2188 179.9376 52 G 3.6203 8.3000 104.5800 47.5527 0.0000 176.7464 53 A 5.0124 8.0735 121.7148 51.2646 18.8376 177.5230 *55 A 4.0740 7.9471 120.8529 54.0536 19.8156 178.2009 56 L 4.6047 8.3917 118.2247 55.5846 43.2856 177.2587 57 G 4.0403 9.2869 106.9802 44.1363 0.0000 175.6708 58 D 4.7058 8.2389 126.5722 50.9374 43.1327 175.3344 59 I 3.6940 9.2231 113.7553 63.6870 37.4767 178.4831 60 G 3.5150 8.1054 107.5295 47.3227 0.0000 175.5337 61 K 3.9512 7.7429 120.6099 59.7152 32.4089 178.4604 62 H 4.0151 7.4471 114.6180 57.2249 29.8899 175.9570 63 F 4.0001 7.3310 117.1630 54.8025 39.3000 172.9670 64 P 4.5957 0.0000 0.0000 61.6991 32.3394 178.0872 65 D 4.2248 8.6412 121.7662 57.4668 40.8430 177.6517 66 T 4.1013 7.7846 113.1766 63.9582 69.1167 173.5762 67 D 4.8335 7.9378 122.8347 52.0285 42.3648 176.6904 68 A 4.0650 8.7713 130.1315 55.0523 18.7593 178.7612 69 A 3.8236 7.7694 118.3544 55.2355 18.4905 177.8922 70 Y 4.4920 7.9303 110.9161 57.4392 38.5975 175.3438 71 K 3.8995 7.7371 122.4088 57.6252 32.2469 176.6789 72 G 3.8333 9.1493 114.3494 45.6639 0.0000 173.1556 73 A 3.9801 7.8496 123.1204 52.0256 19.1396 177.1794 74 D 4.8944 8.5415 121.3125 54.2821 42.4235 177.5912 75 S 4.2776 9.2840 123.5109 60.7005 62.9392 176.8367 76 R 3.8936 8.3204 121.8270 59.0211 29.7657 178.9549 77 V 3.5922 7.8526 117.6005 66.0236 31.6025 177.9593 78 L 3.5310 7.6127 118.2197 57.4194 41.2635 179.1268 79 L 4.0848 7.9615 121.7595 57.8220 41.9835 179.4009 80 R 4.0541 8.1702 117.8327 59.1465 30.0565 178.5535 81 H 4.2152 8.3789 118.4219 59.5070 30.0658 177.1040 82 C 4.2642 8.3347 118.5491 63.1718 27.9309 175.5789 83 Y 4.2927 8.4978 121.0640 60.6225 38.3026 177.7077 84 A 3.9068 8.4038 121.9474 55.0815 17.8918 179.6318 85 L 3.9052 7.9478 116.9522 57.7233 41.6586 179.5007 86 A 4.0031 7.8514 120.3196 55.2510 18.3532 179.8788 87 K 4.2637 8.3090 118.3133 58.9840 31.8114 179.4696 88 A 4.0430 8.0487 120.3411 54.3994 18.3277 178.7700 89 K 4.4251 7.4952 113.9619 56.2527 32.6514 177.5896 90 G 3.8132 8.2924 108.4324 45.3383 0.0000 172.9539 91 F 5.3265 8.1519 118.1460 55.5733 42.0521 174.4211 92 E 5.1286 9.1684 118.4993 54.1966 33.8545 174.1771 93 L 4.0323 9.2631 123.2456 55.8093 41.9079 176.4509 94 G 4.0420 9.4147 116.3690 47.3679 0.0000 173.0283 95 N 5.2270 7.5871 115.2648 51.0449 41.2193 172.2950 96 L 5.1787 8.8708 121.2500 53.4057 45.8259 174.5554 97 D 5.3498 9.1090 124.6899 52.5083 44.7211 174.2228 98 V 4.8258 8.5822 124.3513 61.3909 35.4339 174.2805 99 T 4.8853 9.1853 123.5261 61.9125 71.5731 172.9146 100 I 4.3516 8.8642 129.0367 60.3476 39.1009 175.2520 101 I 4.8650 8.7712 128.1385 60.0796 39.3529 174.4196 102 A 4.7358 8.5212 127.0786 51.2064 22.3543 176.9152 103 Q 3.9564 8.9913 121.9688 58.2913 29.7700 175.7903 104 A 4.5514 7.4215 117.4260 50.0253 21.8019 173.6634 105 P 4.4323 0.0000 0.0000 61.8066 32.2206 175.5244 106 K 4.0916 8.1585 119.9305 56.0384 33.1398 175.9463 *108 A 4.4186 8.4146 121.7335 51.7405 19.9791 177.2066 109 P 4.2643 0.0000 0.0000 64.8821 31.7325 176.6844 110 H 4.8199 7.8423 113.6096 55.4874 30.2228 176.2526 111 I 3.8281 7.5198 120.9442 64.5612 37.3493 177.4122 112 E 4.1245 8.2063 119.1791 59.5288 29.7177 179.5144 113 D 4.4258 7.6998 114.9341 54.9771 40.4287 178.4844 *115 R 4.2848 8.1132 120.5262 56.4866 32.2076 178.1232 116 Q 3.9742 8.1485 116.7656 58.5508 28.4678 178.7223 117 V 3.5604 7.8386 119.4753 66.1588 31.5164 178.1677 118 L 3.9054 7.8585 117.8502 57.6723 41.4683 179.1652 119 A 3.9252 8.2634 120.7213 54.9342 18.1321 179.6501 120 A 3.8968 8.0066 119.2362 55.5929 18.3752 179.6766 121 D 4.4465 8.2325 115.6761 56.1851 40.9323 177.9092 122 L 4.0664 7.6714 117.4976 52.6981 43.0296 175.7489 123 N 4.0688 7.7513 116.6257 54.7854 37.7532 172.8461 124 A 4.8482 7.9447 118.9362 50.0765 23.0642 175.9427 125 D 4.5971 8.4102 119.7063 53.7240 41.8034 178.5997 126 V 3.5894 8.4773 122.8222 64.4554 31.5148 177.8175 127 A 4.1237 8.0116 121.8863 54.1837 18.4713 177.1308 128 D 4.9242 8.3170 115.2141 53.8903 42.3233 175.8543 129 I 4.9468 7.8596 119.8217 59.4829 40.5232 174.3528 130 N 5.0477 9.1451 125.5132 51.6132 42.1291 173.0151 131 V 4.7287 8.4510 124.7535 61.0846 34.1695 174.5016 132 K 4.8901 9.1274 126.2255 54.6089 36.0921 174.8809 133 A 5.2268 8.3475 121.9679 50.8106 22.4136 175.3886 134 T 4.7545 8.9631 114.7403 60.6287 71.4955 173.4930 135 T 4.8950 8.7299 117.1212 59.9453 71.2249 174.1490 136 T 4.4424 8.1609 108.3675 61.0672 69.1566 174.2466 137 E 3.7757 8.7614 118.4851 58.3538 27.7071 175.9992 138 K 4.4872 8.4200 115.2352 57.1234 31.2021 176.6343 139 L 4.3147 7.8380 120.0950 54.8358 42.7422 177.9160 140 G 4.0816 8.5806 110.8231 44.8443 0.0000 174.2598 141 F 4.3516 8.3532 113.3326 60.1115 37.5953 177.5631 142 T 4.2545 6.4352 111.3954 64.1240 68.7151 176.7642 143 G 3.7062 7.7773 109.8414 46.3910 0.0000 174.8177 144 R 4.5094 7.8477 117.9883 55.1190 30.2700 176.3735 145 K 4.1960 8.0374 116.8419 57.7162 30.3546 176.9451 146 E 4.3438 8.6965 121.2626 59.0530 30.2669 176.9431 147 G 3.8045 7.2454 104.4583 45.1977 0.0000 171.2218 148 I 4.7183 7.5141 118.8097 59.3448 41.1657 174.7722 149 A 5.0612 8.7190 127.2112 50.1579 22.2883 175.4413 150 V 4.7991 8.3111 119.6049 61.1739 35.4596 174.0739 151 E 5.3929 9.1943 126.0694 54.7098 32.8358 174.8734 152 A 5.1571 9.0075 123.6988 50.5050 23.2649 175.4487 153 V 5.1249 8.9331 113.5813 59.6058 35.9141 175.2783 154 V 4.9922 8.7738 122.0036 60.0227 35.3697 173.5980 155 L 5.1331 8.8863 124.6104 53.4132 44.5460 174.9092 156 L 5.4657 9.1001 126.5719 53.0464 44.6608 175.6067 157 S 5.3780 9.0609 116.7493 56.1690 66.6829 173.2604 158 R 3.4087 8.2977 122.5533 57.7620 30.1712 176.5629 159 Q 4.2909 7.8849 125.2520 55.6730 30.8096 173.4247 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 K 8.16 4.55 0.00 1.88 1.96 0.00 1.64 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 I 8.49 5.09 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.32 0.97 0.00 0.00 4 R 9.34 4.70 0.00 1.47 1.79 0.00 2.92 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 5 I 8.38 4.88 1.88 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 1.29 1.44 0.91 0.00 0.00 6 G 9.02 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.86 5.47 0.00 3.13 3.16 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 9.06 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 0.00 0.00 0.00 0.00 9 F 8.54 5.38 0.00 2.98 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.17 4.61 0.00 2.68 2.38 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 11 V 7.75 4.96 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 1.09 0.00 0.00 0.93 0.00 0.00 12 H 8.42 4.91 0.00 2.95 3.13 0.00 5.66 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.34 4.68 0.00 1.76 1.63 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.59 7.81 14 F 8.45 5.01 0.00 3.11 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.29 3.39 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 0.00 0.00 0.00 0.00 16 E 8.12 4.53 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 17 P 0.00 4.62 0.00 2.22 2.08 0.00 3.83 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 18 R 7.47 4.67 0.00 1.97 2.03 0.00 2.98 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 19 P 0.00 4.34 0.00 1.96 2.35 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 20 L 8.68 4.33 0.00 2.06 1.84 1.05 1.01 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 21 I 8.26 4.84 1.84 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 1.34 0.79 0.95 0.00 0.00 22 L 8.65 4.76 0.00 1.55 1.48 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 23 C 10.10 4.09 0.00 3.02 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 24 G 8.86 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 25 V 7.47 4.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.97 0.00 0.00 26 E 8.75 4.59 0.00 2.02 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 0.00 2.29 2.31 0.00 27 V 8.30 4.24 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 0.72 0.00 0.00 0.77 0.00 0.00 28 P 0.00 4.43 0.00 2.03 2.02 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 29 Y 8.30 4.75 0.00 2.86 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 30 E 7.47 3.66 0.00 1.85 1.66 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 1.47 1.88 0.00 31 T 7.09 4.56 4.17 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 1.21 0.00 0.00 32 G 8.83 4.60 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 0.00 0.00 0.00 33 L 8.39 5.25 0.00 1.49 1.52 0.90 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.69 3.94 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 0.73 0.00 0.00 0.97 0.00 0.00 35 A 8.05 4.35 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.74 4.31 0.00 3.21 3.36 0.00 5.69 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.67 4.70 0.00 4.24 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 38 D 8.29 4.36 0.00 2.78 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 39 G 7.70 3.63 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 0.00 0.00 0.00 40 D 8.13 4.73 0.00 2.76 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.88 3.83 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 0.76 0.00 0.00 0.87 0.00 0.00 42 V 7.64 3.47 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 1.02 0.00 0.00 0.88 0.00 0.00 43 L 8.10 4.03 0.00 1.73 1.70 0.90 1.15 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 44 H 8.33 4.20 0.00 3.40 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.89 3.96 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 46 I 7.74 3.67 1.99 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 1.50 1.01 0.89 0.00 0.00 47 S 8.46 4.19 0.00 4.05 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 48 D 8.42 4.38 0.00 2.91 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 49 A 8.07 4.10 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 50 I 7.67 3.69 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.71 1.05 0.00 0.00 51 L 8.28 4.19 0.00 1.64 1.68 0.75 0.67 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 52 G 8.30 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 0.00 0.00 0.00 53 A 8.07 5.01 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 *55 A 7.95 4.07 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 56 L 8.39 4.60 0.00 1.59 1.70 0.89 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.29 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 58 D 8.24 4.71 0.00 3.06 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 59 I 9.22 3.69 2.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.52 1.07 0.00 0.00 60 G 8.11 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.74 3.95 0.00 1.70 1.85 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.19 1.34 7.81 62 H 7.45 4.02 0.00 1.93 1.94 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.33 4.00 0.00 2.63 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 0.00 0.00 0.00 64 P 0.00 4.60 0.00 2.21 1.95 0.00 4.02 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 65 D 8.64 4.22 0.00 2.60 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 66 T 7.78 4.10 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 67 D 7.94 4.83 0.00 2.84 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 68 A 8.77 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 69 A 7.77 3.82 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 7.93 4.49 0.00 3.32 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 71 K 7.74 3.90 0.00 1.66 1.71 0.00 1.90 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.40 7.81 72 G 9.15 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 73 A 7.85 3.98 1.39 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 0.00 0.00 0.00 74 D 8.54 4.89 0.00 2.70 2.54 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 75 S 9.28 4.28 0.00 3.87 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 76 R 8.32 3.89 0.00 2.02 2.08 0.00 3.11 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 77 V 7.85 3.59 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 1.07 0.00 0.00 0.92 0.00 0.00 78 L 7.61 3.53 0.00 1.60 0.84 0.61 -0.14 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 79 L 7.96 4.08 0.00 1.82 1.83 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.17 4.05 0.00 2.08 2.03 0.00 3.39 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 81 H 8.38 4.22 0.00 3.34 3.62 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 C 8.33 4.26 0.00 3.34 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 83 Y 8.50 4.29 0.00 3.02 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 84 A 8.40 3.91 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.95 3.91 0.00 1.89 1.73 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.85 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 87 K 8.31 4.26 0.00 1.75 1.74 0.00 1.47 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.21 0.64 7.81 88 A 8.05 4.04 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 89 K 7.50 4.43 0.00 2.04 2.04 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.48 7.81 90 G 8.29 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 91 F 8.15 5.33 0.00 3.18 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 92 E 9.17 5.13 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 2.39 2.32 0.00 93 L 9.26 4.03 0.00 1.69 1.71 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 94 G 9.41 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 95 N 7.59 5.23 0.00 2.87 2.90 0.00 0.00 5.39 6.67 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 96 L 8.87 5.18 0.00 1.72 1.46 0.93 0.98 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 97 D 9.11 5.35 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 98 V 8.58 4.83 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 0.98 0.00 0.00 0.95 0.00 0.00 99 T 9.19 4.89 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 1.22 0.00 0.00 100 I 8.86 4.35 1.85 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 1.19 0.71 0.87 0.00 0.00 101 I 8.77 4.86 1.94 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 1.17 1.22 0.86 0.00 0.00 102 A 8.52 4.74 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.99 3.96 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 104 A 7.42 4.55 1.27 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 0.00 105 P 0.00 4.43 0.00 2.17 1.99 0.00 3.58 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 106 K 8.16 4.09 0.00 1.76 1.82 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.45 7.81 *108 A 8.41 4.42 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 0.00 109 P 0.00 4.26 0.00 1.69 2.01 0.00 3.75 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 1.97 2.06 0.00 110 H 7.84 4.82 0.00 3.17 3.30 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 0.00 111 I 7.52 3.83 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 1.42 0.73 0.98 0.00 0.00 112 E 8.21 4.12 0.00 1.99 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 2.39 2.27 0.00 113 D 7.70 4.43 0.00 2.96 2.69 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 *115 R 8.11 4.28 0.00 2.04 2.00 0.00 3.12 0.00 0.00 3.54 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 116 Q 8.15 3.97 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 117 V 7.84 3.56 2.15 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 1.16 0.00 0.00 0.96 0.00 0.00 118 L 7.86 3.91 0.00 1.84 1.64 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.26 3.93 1.39 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 0.00 0.00 0.00 120 A 8.01 3.90 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 0.00 121 D 8.23 4.45 0.00 2.67 2.72 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 0.00 122 L 7.67 4.07 0.00 1.41 0.99 0.69 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 123 N 7.75 4.07 0.00 2.79 2.91 0.00 0.00 6.80 8.64 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 0.00 124 A 7.94 4.85 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 0.00 125 D 8.41 4.60 0.00 2.73 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 0.00 126 V 8.48 3.59 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 0.79 0.00 0.00 0.92 0.00 0.00 127 A 8.01 4.12 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 0.00 128 D 8.32 4.92 0.00 2.76 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 0.00 129 I 7.86 4.95 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.57 0.89 0.00 0.00 130 N 9.15 5.05 0.00 2.81 2.79 0.00 0.00 6.15 7.27 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 0.00 131 V 8.45 4.73 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 0.87 0.00 0.00 0.92 0.00 0.00 132 K 9.13 4.89 0.00 1.77 1.64 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.45 7.81 133 A 8.35 5.23 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 0.00 134 T 8.96 4.75 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 1.20 0.00 0.00 135 T 8.73 4.89 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 136 T 8.16 4.44 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 1.14 0.00 0.00 137 E 8.76 3.78 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 2.24 2.40 0.00 138 K 8.42 4.49 0.00 2.02 2.00 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.36 7.81 139 L 7.84 4.31 0.00 1.76 1.55 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.58 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 0.00 0.00 0.00 141 F 8.35 4.35 0.00 3.42 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 0.00 142 T 6.44 4.25 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 0.85 0.00 0.00 143 G 7.78 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 0.00 144 R 7.85 4.51 0.00 1.91 2.04 0.00 3.36 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 145 K 8.04 4.20 0.00 2.05 2.10 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.48 7.81 146 E 8.70 4.34 0.00 2.39 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 2.40 0.00 147 G 7.25 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.51 4.72 1.65 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.51 0.82 0.00 0.00 149 A 8.72 5.06 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 0.00 150 V 8.31 4.80 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 0.99 0.00 0.00 0.84 0.00 0.00 151 E 9.19 5.39 0.00 2.02 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 2.78 2.49 0.00 152 A 9.01 5.16 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 0.00 153 V 8.93 5.12 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 0.87 0.00 0.00 1.01 0.00 0.00 154 V 8.77 4.99 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 0.76 0.00 0.00 1.02 0.00 0.00 155 L 8.89 5.13 0.00 1.79 1.57 0.95 0.51 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 0.00 156 L 9.10 5.47 0.00 1.61 1.73 0.91 0.66 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 0.00 157 S 9.06 5.38 0.00 3.87 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 0.00 158 R 8.30 3.41 0.00 1.45 1.69 0.00 2.59 0.00 0.00 2.68 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.39 0.00 159 Q 7.88 4.29 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.32 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 * Residues marked with a * may have inaccurate shift predictions.