NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4657 8.3044 118.2487 55.8228 32.0571 174.5338 2 T 3.7876 8.8609 117.9431 62.6630 70.0975 173.3135 3 H 3.9231 8.6868 126.8324 56.6482 24.8448 172.8446 4 D 4.2986 7.5609 120.5481 54.9253 42.0578 180.8618 5 N 4.6180 7.9764 120.2953 53.2502 37.2323 174.5222 6 K 4.5927 8.3072 113.1290 57.6583 35.7174 176.5512 7 L 4.0266 7.8992 122.3436 59.0671 40.6937 177.8912 *8 Q 4.2769 7.5854 117.2564 53.7543 30.0308 177.7677 9 V 4.2857 8.1687 123.8124 61.6025 32.4748 174.8808 10 E 4.4094 7.6981 122.0936 54.7320 32.0831 177.2014 11 A 3.7495 7.4110 119.9720 52.0557 16.1310 176.5607 12 I 4.1989 8.0220 115.5694 59.9736 39.3026 175.9757 13 K 3.4613 8.3526 124.0427 55.2045 31.5567 172.4564 14 R 4.4144 7.8700 132.5049 53.5333 31.7617 176.1241 15 G 3.1489 7.1056 110.6545 45.8085 0.0000 170.1573 16 T 4.9396 7.8386 117.1490 61.6042 72.2245 173.6058 17 V 4.4547 8.8151 125.5845 61.2905 34.4987 174.4043 18 I 4.7440 8.6405 130.1942 60.2247 38.1324 174.5417 19 D 5.0187 8.6555 127.0986 52.4883 44.1107 175.0124 20 H 4.0557 8.2823 114.9066 56.8531 25.9730 175.1309 21 I 4.3441 7.3629 120.1556 59.7386 38.4979 174.9399 22 P 4.5858 0.0000 0.0000 62.0284 31.9294 175.6388 23 A 4.1539 8.5072 123.0814 54.2542 18.6054 177.2839 24 Q 3.5663 8.8255 118.1104 56.9169 26.8020 175.3346 25 I 4.3052 7.6635 119.8641 63.0496 37.4217 177.5355 26 G 3.7535 8.0349 107.2174 48.0607 0.0000 175.0706 27 F 4.1410 8.2836 122.3442 60.5787 39.3769 177.1933 28 K 3.7409 8.2307 118.5081 59.6362 32.0622 178.5754 29 L 4.0355 8.1933 119.3973 57.7215 41.0859 179.4775 30 L 3.9935 7.8440 119.0107 58.1094 41.5950 179.1463 31 S 3.8906 7.9766 115.5855 61.4662 62.4456 176.5631 32 L 3.6278 8.0030 122.7731 57.2215 41.5679 178.5802 33 F 4.7832 7.6652 114.3092 56.4457 39.3477 175.7598 34 K 3.8462 7.7286 118.5493 57.4940 29.8961 176.3654 35 L 4.2221 7.5204 117.1615 56.6351 41.8899 178.5664 36 T 4.2314 7.6604 107.5949 62.2980 69.9979 174.8477 37 E 4.4638 7.5459 124.3957 56.1651 28.7521 175.4612 38 T 4.7257 7.2197 113.6828 62.1767 72.8668 174.3973 39 D 4.7198 8.4810 121.5224 54.4020 41.4104 177.2504 40 Q 4.2074 7.6406 118.3518 55.3598 29.7525 175.8611 41 R 4.1218 8.4387 119.4826 56.5402 31.0772 175.5977 42 I 4.8874 8.3899 124.5415 59.7690 39.8564 175.0495 43 T 4.7394 8.8400 122.5963 61.8120 71.5606 173.2180 44 I 4.9855 8.4558 125.2739 59.4087 41.1442 174.8092 45 G 4.2055 9.0485 113.2523 44.4406 0.0000 172.1350 46 L 5.1703 8.4252 124.2556 53.7267 45.1828 176.4805 47 N 4.0390 8.9676 115.0658 54.3400 36.1335 173.5537 48 L 4.7269 8.5497 121.0110 52.3737 45.2369 175.2549 49 P 4.9302 0.0000 0.0000 60.8568 31.0147 174.1591 50 S 4.0692 8.6838 116.4447 61.0970 67.5861 176.2535 51 G 3.6820 8.5496 107.3948 47.4172 0.0000 173.9037 52 E 4.6620 8.5030 129.8335 56.4287 27.7981 175.9797 53 M 4.5232 9.2277 120.8852 55.3474 35.4074 175.7891 54 G 4.4317 8.1862 113.0521 44.8144 0.0000 172.6676 55 R 5.8326 7.8442 118.1651 52.6963 33.1173 174.5457 56 K 4.8853 8.5024 121.0622 55.3881 36.8983 173.9461 57 D 5.3743 8.9026 118.6022 52.7771 45.3435 174.9210 58 L 4.8268 8.5971 120.3381 54.0820 46.1521 174.2621 59 I 4.8870 8.7455 125.3352 59.4051 41.3079 174.4996 60 K 4.9494 9.2531 125.3543 54.7116 35.5676 175.1856 61 I 4.5806 8.6501 126.8331 59.3359 39.5264 175.1537 62 E 4.3533 8.7040 127.3502 57.0127 30.5160 178.1030 63 N 4.3128 8.8089 118.9151 53.9971 37.4831 174.3330 64 T 4.5257 7.1140 115.0412 61.5832 70.3757 174.0661 65 F 4.5325 8.9722 123.1416 54.4386 41.2015 174.2975 66 L 4.7774 8.2688 126.1406 54.1414 42.3527 175.8363 67 S 4.4348 8.6684 116.2597 58.1662 66.3027 173.6209 68 E 3.8618 8.2533 119.4281 57.6760 28.8584 176.6041 69 D 4.4766 7.5673 117.5977 55.6197 40.0245 178.7009 70 Q 3.8852 7.6713 118.8698 59.0424 28.5074 178.5450 71 V 3.6456 7.7198 118.5921 66.0353 31.5816 177.4436 72 D 4.4993 7.7990 118.1839 56.7264 40.5129 178.5486 73 Q 4.1795 7.7962 117.8332 58.4455 28.8656 178.1772 74 L 4.1166 7.5177 118.7308 57.0114 40.9735 178.9715 75 A 4.0517 7.9518 121.4378 55.2411 18.0678 179.5684 76 L 3.9885 8.0191 115.6312 56.9985 41.7103 177.4309 77 Y 4.5534 7.4988 115.4189 58.7179 39.9822 176.0702 78 A 4.7867 8.4602 122.3300 49.8156 18.7074 174.4443 79 P 4.4745 0.0000 0.0000 63.8978 32.4066 178.3056 80 Q 4.4520 7.8774 115.6869 55.3684 29.2298 175.0762 81 A 4.6077 7.3414 118.9810 51.9160 19.4984 177.4327 82 T 4.7664 8.9089 115.2473 61.7400 72.7044 173.9172 83 V 4.4614 8.9489 125.1775 61.3864 34.0832 173.7964 84 N 5.3611 9.3454 127.1029 52.0807 40.2938 174.3337 85 R 5.0799 9.1663 124.9140 55.0130 32.5804 175.0047 86 I 5.2034 8.6894 125.1264 59.7614 41.7546 173.8045 87 D 4.8505 9.3094 125.5479 53.2543 44.6470 174.5607 88 N 3.7243 9.4996 123.1483 55.1668 37.0169 173.5899 89 Y 3.5183 7.0749 111.6331 58.3957 36.8712 170.0759 90 E 4.7784 8.1995 120.2375 54.2710 32.3456 176.4833 91 V 4.0419 8.1656 123.1931 63.0525 29.0644 175.8701 92 V 3.9461 7.9427 120.5010 62.3119 32.3804 176.8010 93 G 4.2143 7.9548 107.3206 45.4174 0.0000 172.8109 94 K 5.1044 8.7454 122.7206 54.7888 35.2044 175.6732 95 S 4.9210 8.9199 120.6905 56.7425 66.7912 173.0984 96 R 5.1220 8.2945 118.7541 54.2945 34.1068 173.1612 97 P 4.9971 0.0000 0.0000 61.4274 33.2350 175.4816 98 S 4.7355 8.5452 115.2416 56.1660 66.5271 174.4687 99 L 3.9267 8.5851 122.9816 54.7067 41.6226 175.9176 100 P 4.5991 0.0000 0.0000 62.2436 32.4594 175.9142 101 E 4.3139 8.5669 115.7063 58.0679 30.9521 176.2068 102 R 5.1297 7.8549 119.7687 54.7545 33.7753 174.1770 103 I 4.6595 8.5269 126.9813 59.9622 39.3730 174.6179 104 D 5.0767 9.0067 127.0543 54.0103 42.3999 178.8807 105 N 4.2483 9.2497 117.0112 54.8198 38.4656 176.0296 106 V 3.7760 8.0280 116.1189 63.7557 31.9458 175.6782 107 L 4.6086 7.7987 118.5911 53.1614 43.4941 175.4244 108 V 4.4993 7.8103 118.4127 60.8629 33.9585 174.5545 109 C 4.5525 9.0217 127.8542 59.0430 31.7922 171.6834 110 P 4.1550 0.0000 0.0000 64.3069 31.5299 175.7362 111 N 4.6366 7.9578 119.4300 53.0053 38.8005 175.4642 112 S 4.2503 8.6656 121.2351 60.6778 63.5041 174.4282 113 N 4.6166 8.2975 117.6006 53.7871 38.0430 174.3332 114 C 4.2717 8.0190 118.6644 60.2547 31.8785 174.1298 115 I 3.8908 8.2436 125.4461 62.9429 38.0153 177.7853 116 S 3.7801 7.0197 114.5202 61.2710 62.9251 175.7312 117 H 4.2208 7.6105 117.3736 59.0487 28.3664 176.4890 118 A 4.2769 7.8566 117.8430 52.8881 18.5657 176.4021 119 E 4.8080 7.5335 115.3958 53.5066 33.6460 175.4536 120 P 4.6925 0.0000 0.0000 62.7428 30.2026 176.4544 121 V 4.5492 8.0100 111.0302 60.6294 35.1182 175.4523 122 S 5.0017 8.2718 116.1280 56.4459 65.3179 174.1391 123 S 4.4420 8.5165 115.9350 59.1599 64.4083 172.9227 124 S 5.0367 8.0357 114.7580 57.3245 65.8679 172.5874 125 F 5.3300 8.7164 123.8407 55.5219 42.4245 174.1430 126 A 4.4993 9.0997 126.0513 51.6589 19.5880 176.7032 127 V 4.6827 8.3793 123.0712 62.3239 33.1849 175.0691 128 R 4.3471 8.9741 121.1138 55.9783 33.2294 172.4563 129 K 4.0627 8.6340 121.4910 55.9090 29.4335 173.7902 130 R 3.7885 8.2355 118.6075 57.7377 30.7604 175.8340 131 A 3.7103 8.7158 120.3509 54.0529 17.5823 177.3085 132 N 4.4786 7.7589 110.4891 53.3287 38.0195 174.4266 133 D 4.6065 9.0954 118.9124 55.1281 38.5774 174.0314 134 I 4.0073 7.8859 118.5958 59.5259 36.1071 173.3809 135 A 5.2829 8.5387 127.4119 50.0408 22.3879 174.7289 136 L 5.3383 8.8891 120.2362 52.8734 45.4906 175.3787 137 K 5.1113 8.9867 125.6090 54.5657 34.5975 174.8578 138 C 3.9365 8.7833 128.1722 59.0772 32.1663 173.7337 139 K 3.5246 8.4662 128.6138 60.2271 31.6165 177.5834 140 Y 4.0963 7.9885 115.8506 60.6495 38.2211 176.4263 141 C 4.3474 8.1119 112.0560 58.1377 30.5981 172.9637 142 E 3.8842 7.6478 118.7257 57.5219 27.4871 174.2395 143 K 4.4066 7.8408 116.3991 54.6667 34.7283 175.4668 144 E 4.8300 8.3026 125.5490 54.7447 31.0780 174.7489 145 F 5.0763 9.1155 124.8724 55.4504 43.6427 174.1633 146 S 4.7687 8.6233 114.4912 57.6240 63.2940 174.4170 147 H 4.0960 9.2631 124.3150 58.9945 27.6979 177.4675 148 N 4.0248 7.7845 117.7459 56.2413 38.7418 176.9456 149 V 3.6578 7.7284 119.3519 66.0318 31.4218 178.3038 150 V 3.4439 7.4959 116.3635 65.5980 31.5278 177.1935 151 L 4.1374 7.6397 116.3860 55.8098 41.5611 178.4375 152 A 4.2359 7.3932 120.9525 52.8136 19.2588 176.6690 153 N 3.8403 7.7624 118.3391 54.6067 39.3607 173.9198 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.47 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 2 T 8.86 3.79 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 1.28 0.00 0.00 3 H 8.69 3.92 0.00 3.30 3.36 0.00 5.98 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 7.56 4.30 0.00 2.79 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 5 N 7.98 4.62 0.00 2.98 2.95 0.00 0.00 5.79 7.13 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 6 K 8.31 4.59 0.00 1.81 1.88 0.00 1.46 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.49 7.81 7 L 7.90 4.03 0.00 1.88 1.84 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 *8 Q 7.59 4.28 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.06 0.00 0.00 0.00 0.00 0.00 2.18 1.91 0.00 9 V 8.17 4.29 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 1.06 0.00 0.00 0.94 0.00 0.00 10 E 7.70 4.41 0.00 2.22 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 2.25 2.51 0.00 11 A 7.41 3.75 1.59 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 0.00 0.00 12 I 8.02 4.20 1.82 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 1.26 0.60 0.94 0.00 0.00 13 K 8.35 3.46 0.00 1.63 1.72 0.00 1.51 0.00 0.00 1.56 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.34 7.81 14 R 7.87 4.41 0.00 2.01 1.81 0.00 3.46 0.00 0.00 3.38 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.12 0.00 15 G 7.11 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 0.00 0.00 0.00 16 T 7.84 4.94 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 1.18 0.00 0.00 17 V 8.82 4.45 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 0.84 0.00 0.00 0.90 0.00 0.00 18 I 8.64 4.74 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.80 0.90 0.00 0.00 19 D 8.66 5.02 0.00 2.80 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.28 4.06 0.00 3.50 3.55 0.00 5.86 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.36 4.34 1.93 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 1.32 0.63 0.99 0.00 0.00 22 P 0.00 4.59 0.00 2.23 2.01 0.00 3.68 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 23 A 8.51 4.15 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 24 Q 8.83 3.57 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 25 I 7.66 4.31 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.28 1.04 0.00 0.00 26 G 8.03 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 27 F 8.28 4.14 0.00 3.10 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 28 K 8.23 3.74 0.00 1.91 2.01 0.00 1.88 0.00 0.00 1.93 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.47 7.81 29 L 8.19 4.04 0.00 1.92 1.75 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.84 3.99 0.00 1.56 1.56 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.98 3.89 0.00 3.70 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 32 L 8.00 3.63 0.00 1.16 0.38 0.69 0.16 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 33 F 7.67 4.78 0.00 3.18 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.73 3.85 0.00 1.89 1.81 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.33 1.51 7.81 35 L 7.52 4.22 0.00 1.67 1.71 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.66 4.23 4.23 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 1.19 0.00 0.00 37 E 7.55 4.46 0.00 1.92 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 2.28 2.40 0.00 38 T 7.22 4.73 4.23 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 1.20 0.00 0.00 39 D 8.48 4.72 0.00 2.66 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 40 Q 7.64 4.21 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 41 R 8.44 4.12 0.00 1.89 1.85 0.00 3.08 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 42 I 8.39 4.89 1.87 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 1.32 0.74 0.92 0.00 0.00 43 T 8.84 4.74 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 44 I 8.46 4.99 1.90 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 1.29 0.62 0.98 0.00 0.00 45 G 9.05 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 0.00 0.00 0.00 0.00 46 L 8.43 5.17 0.00 1.48 1.54 0.97 1.16 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 47 N 8.97 4.04 0.00 2.75 2.78 0.00 0.00 6.83 7.39 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 48 L 8.55 4.73 0.00 1.66 1.53 0.91 1.20 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 49 P 0.00 4.93 0.00 2.16 2.08 0.00 4.06 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 50 S 8.68 4.07 0.00 3.88 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 51 G 8.55 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 0.00 0.00 0.00 0.00 52 E 8.50 4.66 0.00 1.98 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 2.33 2.25 0.00 53 M 9.23 4.52 0.00 1.97 2.06 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 2.53 2.50 0.00 54 G 8.19 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 0.00 0.00 0.00 0.00 55 R 7.84 5.83 0.00 1.67 1.82 0.00 3.21 0.00 0.00 3.94 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.43 0.00 56 K 8.50 4.89 0.00 1.83 1.85 0.00 1.32 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.38 7.81 57 D 8.90 5.37 0.00 2.59 2.58 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 58 L 8.60 4.83 0.00 1.68 1.43 0.91 0.98 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 59 I 8.75 4.89 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 1.24 0.59 0.89 0.00 0.00 60 K 9.25 4.95 0.00 1.74 1.64 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.36 7.81 61 I 8.65 4.58 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.63 0.84 0.00 0.00 62 E 8.70 4.35 0.00 1.92 1.79 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 2.26 2.37 0.00 63 N 8.81 4.31 0.00 2.82 2.96 0.00 0.00 6.86 7.24 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 64 T 7.11 4.53 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 1.18 0.00 0.00 65 F 8.97 4.53 0.00 2.97 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 66 L 8.27 4.78 0.00 1.93 1.64 0.86 0.56 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 67 S 8.67 4.43 0.00 3.92 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.25 3.86 0.00 2.16 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 2.31 2.28 0.00 69 D 7.57 4.48 0.00 2.95 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 70 Q 7.67 3.89 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 71 V 7.72 3.65 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 1.09 0.00 0.00 0.94 0.00 0.00 72 D 7.80 4.50 0.00 2.85 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 7.80 4.18 0.00 1.84 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 74 L 7.52 4.12 0.00 1.80 1.69 0.83 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.95 4.05 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 76 L 8.02 3.99 0.00 1.40 1.12 0.78 0.64 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 77 Y 7.50 4.55 0.00 3.18 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.46 4.79 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.47 0.00 2.20 2.38 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 80 Q 7.88 4.45 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 81 A 7.34 4.61 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 82 T 8.91 4.77 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 1.35 0.00 0.00 83 V 8.95 4.46 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.91 0.00 0.00 84 N 9.35 5.36 0.00 2.63 2.73 0.00 0.00 6.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 9.17 5.08 0.00 2.00 2.00 0.00 3.08 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.98 0.00 86 I 8.69 5.20 2.05 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 1.13 0.77 0.86 0.00 0.00 87 D 9.31 4.85 0.00 2.72 2.43 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 88 N 9.50 3.72 0.00 2.79 2.78 0.00 0.00 7.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 7.07 3.52 0.00 3.25 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 90 E 8.20 4.78 0.00 2.05 1.83 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 2.28 2.39 0.00 91 V 8.17 4.04 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 0.86 0.00 0.00 0.96 0.00 0.00 92 V 7.94 3.95 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 0.78 0.00 0.00 0.92 0.00 0.00 93 G 7.95 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 0.00 0.00 0.00 0.00 94 K 8.75 5.10 0.00 1.61 1.72 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.45 7.81 95 S 8.92 4.92 0.00 3.76 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 96 R 8.29 5.12 0.00 1.63 1.80 0.00 3.19 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 97 P 0.00 5.00 0.00 2.03 2.17 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.07 0.00 98 S 8.55 4.74 0.00 3.81 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.59 3.93 0.00 1.62 1.64 0.89 1.01 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 0.00 100 P 0.00 4.60 0.00 2.37 2.09 0.00 3.78 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 101 E 8.57 4.31 0.00 2.08 2.25 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 2.36 2.32 0.00 102 R 7.85 5.13 0.00 1.80 1.81 0.00 3.17 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 103 I 8.53 4.66 2.05 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 1.34 1.21 1.10 0.00 0.00 104 D 9.01 5.08 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 9.25 4.25 0.00 2.86 2.97 0.00 0.00 6.86 7.60 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 0.00 106 V 8.03 3.78 2.27 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 0.72 0.00 0.00 0.49 0.00 0.00 107 L 7.80 4.61 0.00 1.81 1.38 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.81 4.50 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 0.87 0.00 0.00 0.96 0.00 0.00 109 C 9.02 4.55 0.00 3.19 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 0.00 110 P 0.00 4.15 0.00 1.74 1.80 0.00 3.40 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.90 0.00 111 N 7.96 4.64 0.00 3.33 3.04 0.00 0.00 6.97 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.67 4.25 0.00 4.00 3.96 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 0.00 113 N 8.30 4.62 0.00 2.72 2.91 0.00 0.00 6.94 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 C 8.02 4.27 0.00 3.16 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.24 3.89 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 1.43 0.96 0.78 0.00 0.00 116 S 7.02 3.78 0.00 3.94 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 7.61 4.22 0.00 3.16 3.39 0.00 5.67 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 0.00 118 A 7.86 4.28 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 0.00 119 E 7.53 4.81 0.00 1.82 1.72 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 2.21 2.17 0.00 120 P 0.00 4.69 0.00 2.17 2.14 0.00 3.67 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 1.98 0.00 121 V 8.01 4.55 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 0.76 0.00 0.00 0.52 0.00 0.00 122 S 8.27 5.00 0.00 3.95 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 0.00 123 S 8.52 4.44 0.00 4.10 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.04 5.04 0.00 3.87 3.55 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 0.00 125 F 8.72 5.33 0.00 3.12 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 0.00 126 A 9.10 4.50 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 0.00 127 V 8.38 4.68 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.99 0.00 0.00 128 R 8.97 4.35 0.00 1.91 1.98 0.00 2.95 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 129 K 8.63 4.06 0.00 1.98 1.84 0.00 1.74 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.44 7.81 130 R 8.24 3.79 0.00 1.83 1.87 0.00 3.55 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 1.63 1.60 0.00 131 A 8.72 3.71 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 N 7.76 4.48 0.00 2.82 2.95 0.00 0.00 6.27 8.06 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 0.00 133 D 9.10 4.61 0.00 2.78 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 0.00 134 I 7.89 4.01 1.54 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 0.80 0.74 0.90 0.00 0.00 135 A 8.54 5.28 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 0.00 136 L 8.89 5.34 0.00 1.57 1.59 0.75 0.63 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 0.00 137 K 8.99 5.11 0.00 2.01 1.71 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.34 7.81 138 C 8.78 3.94 0.00 3.28 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 0.00 139 K 8.47 3.52 0.00 1.62 1.35 0.00 1.56 0.00 0.00 0.83 0.00 0.00 2.58 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.79 1.14 7.81 140 Y 7.99 4.10 0.00 2.98 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 0.00 141 C 8.11 4.35 0.00 3.15 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 0.00 142 E 7.65 3.88 0.00 2.11 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 2.21 2.22 0.00 143 K 7.84 4.41 0.00 1.44 1.00 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.43 7.81 144 E 8.30 4.83 0.00 1.89 1.73 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 2.19 2.46 0.00 145 F 9.12 5.08 0.00 2.94 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 0.00 146 S 8.62 4.77 0.00 3.90 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 0.00 147 H 9.26 4.10 0.00 3.27 3.61 0.00 5.34 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 7.78 4.02 0.00 2.63 2.82 0.00 0.00 6.84 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 7.73 3.66 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 0.91 0.00 0.00 0.93 0.00 0.00 150 V 7.50 3.44 1.83 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 0.55 0.00 0.00 0.65 0.00 0.00 151 L 7.64 4.14 0.00 1.89 1.63 0.82 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.39 4.24 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 0.00 153 N 7.76 3.84 0.00 2.64 2.62 0.00 0.00 6.80 7.56 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 * Residues marked with a * may have inaccurate shift predictions.