NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1398 8.1633 120.7299 55.2731 34.0883 174.2055 2 R 4.7157 8.9416 122.1639 52.2162 33.7622 168.8516 3 V 4.8673 8.1647 123.8217 60.0508 34.5714 174.9118 4 V 4.5562 8.9041 124.9762 61.4120 33.1861 174.2556 5 I 4.8073 8.6942 129.7659 60.6838 39.2814 175.3523 6 Q 5.0343 8.4800 123.4859 54.1084 33.1298 174.5440 7 R 4.1815 8.7894 124.9332 56.5579 31.5544 175.6544 8 V 5.6419 8.5308 117.1421 59.1397 36.4812 175.7390 9 K 4.7276 8.8500 119.0404 54.6824 33.4085 176.6544 10 G 4.5092 7.1804 112.5676 45.5777 0.0000 171.5028 11 A 5.2680 8.1308 122.5296 50.2659 23.3809 175.8224 12 I 4.7937 8.7026 120.6549 59.6351 40.6132 174.7175 13 L 4.4141 8.6225 129.9241 55.0141 43.7709 175.6853 14 S 4.9068 8.6626 117.9071 57.3614 67.8707 173.5427 15 V 4.6644 8.5149 114.8116 59.5872 35.3893 176.7862 16 R 3.8564 9.0880 121.5543 59.0511 30.4005 179.2763 17 K 3.7709 8.1078 119.9734 58.0821 32.6258 175.3529 *26 E 4.0774 7.8002 117.5452 55.3389 30.2965 174.0270 27 L 5.4360 8.1209 122.5486 51.9559 46.1412 175.0902 28 E 4.7422 8.9186 119.4670 54.6490 33.0273 174.8887 29 I 4.5175 8.6959 127.0451 61.5631 37.6680 175.1305 30 I 4.7307 8.1103 112.8800 61.8207 43.0611 175.0732 31 S 4.7999 7.9866 117.3703 57.0583 67.4903 173.0126 32 E 5.2939 8.5895 121.5544 55.0264 33.4870 174.5108 33 I 4.9606 8.7136 116.5929 57.4100 40.9213 175.2795 34 K 4.6717 8.4752 125.5893 55.8194 30.6928 177.1496 35 N 4.9359 8.0415 123.3322 52.9622 40.0450 174.4928 36 G 4.7549 7.4716 109.7812 46.4427 0.0000 172.2983 37 L 5.2814 8.7657 123.9750 52.7902 46.0776 175.0520 38 I 4.3513 8.2843 122.5554 59.6261 39.8531 174.0946 39 C 4.8169 8.2059 128.8355 58.7246 29.4442 173.3536 40 F 4.7028 9.1937 124.0312 56.7436 40.1983 174.8263 41 L 5.2027 8.9901 123.9417 53.4500 45.6557 175.0381 42 G 4.6282 9.5513 114.0273 44.6939 0.0000 171.6871 43 I 5.1438 8.8070 127.1539 60.6532 39.3126 174.3831 44 H 4.5670 10.6682 129.6177 54.9411 31.7596 176.4839 45 K 3.9938 7.9651 127.5051 57.4767 31.5639 177.3145 46 N 5.0033 7.3644 114.5431 52.5369 39.1419 174.5609 47 D 4.6302 8.3895 119.2158 54.6017 41.5221 176.2591 48 T 4.5777 8.5580 112.5997 61.2964 71.3573 175.7488 49 W 3.7953 8.7827 135.0000 59.2557 32.7721 176.8981 50 E 3.9150 9.0977 117.4343 59.8496 29.1959 178.3256 51 D 4.3938 8.3486 117.4261 57.9819 40.9829 178.6103 52 A 3.6573 8.1685 119.5973 55.8029 18.3229 179.6579 53 L 3.2562 7.4012 116.5340 57.9308 41.6966 179.2512 54 Y 3.8963 7.9767 119.4431 60.4783 38.8171 177.4496 55 I 3.5691 7.7235 119.9306 64.6379 37.3374 177.6110 56 I 3.0126 7.2161 119.9155 64.6216 37.0490 178.5470 57 R 3.7588 7.4612 118.5241 58.8357 29.6688 178.7053 58 K 3.8309 8.2212 118.9965 59.6771 32.0066 178.8917 59 C 3.9809 8.1289 116.0197 63.2884 28.1319 176.5727 60 L 4.1486 8.3924 120.2367 57.0232 40.9955 178.6389 61 N 4.7431 7.3253 113.8635 53.7609 40.0783 175.6250 62 L 3.8279 8.2063 118.1700 55.5204 42.3232 177.3798 63 R 4.7067 8.5969 121.7237 55.1008 29.8567 176.1400 64 L 5.1910 8.8428 120.6393 54.0538 42.9319 176.5863 65 W 4.6028 8.1682 119.2273 54.5967 31.8919 175.4719 66 N 4.8795 8.3314 117.8191 53.0961 39.4585 173.9316 67 N 5.0214 9.3737 117.6655 53.9348 42.7977 175.4297 68 D 4.2149 8.8526 126.2538 55.1608 41.1314 174.5742 69 N 4.3660 9.3416 125.0499 56.6340 39.2687 174.1637 70 K 4.3398 8.6451 119.2982 55.3962 33.5615 176.8331 71 T 4.7962 8.3953 113.7193 60.6272 70.4049 174.6273 72 W 4.0042 6.7232 117.9837 57.2422 25.3347 172.6583 73 D 4.8347 7.9889 119.2764 55.5073 42.4319 177.3295 74 K 4.6055 8.0636 116.3399 56.2903 33.9201 175.4760 75 N 5.5421 8.9674 119.9104 50.9906 40.5147 175.9998 76 V 3.2385 8.8640 119.2482 65.1236 31.0678 178.3803 77 K 3.5387 7.2763 119.3850 59.1747 31.6753 178.7483 78 D 4.4428 8.0261 117.4897 57.0390 40.8141 178.2653 79 L 3.8543 6.8137 115.3815 53.0393 43.0459 175.3152 80 N 4.1121 8.0204 116.5296 54.9317 36.9819 171.4019 81 Y 5.1320 7.7607 115.4430 56.7982 41.5560 176.3721 82 E 5.0409 8.5282 119.3446 54.9675 33.2546 175.6311 83 L 4.9014 8.5486 119.9951 53.1608 45.7075 175.6503 84 L 4.6946 8.6028 127.2336 53.9777 43.2081 175.3171 85 I 4.5149 8.3436 128.9797 59.7740 38.5741 175.5063 86 V 4.4753 8.2087 127.7979 60.5657 34.1247 174.5199 87 S 4.2704 8.8888 122.6434 58.8559 62.8850 173.3775 88 Q 4.4053 10.2286 130.3612 54.2346 30.5288 175.4277 89 F 4.5987 8.4760 122.7714 59.2479 38.8801 178.0153 90 T 4.4763 7.3431 110.9346 63.6291 68.4856 175.7514 91 L 4.1537 7.3695 121.6902 56.9743 41.4243 177.4016 92 F 4.9368 8.5133 118.2939 56.9266 39.9022 174.9500 93 G 3.5151 8.5292 111.6774 44.7597 0.0000 174.5853 94 N 4.5348 8.3770 126.6606 52.6824 37.6022 174.5698 95 T 4.0715 8.7909 117.6744 63.6369 69.2323 178.6003 96 K 4.1642 6.2948 122.1806 55.3900 33.6668 180.8110 97 K 4.3772 8.0515 121.0509 53.5424 33.1430 178.6384 98 G 4.1797 8.5265 113.8807 44.3075 0.0000 172.3384 99 N 4.9392 8.5321 117.1202 54.0837 39.1233 176.2785 100 K 4.6283 7.5657 119.1356 51.6749 35.2344 177.0102 101 P 4.2134 0.0000 0.0000 62.0748 31.9474 176.1801 102 D 4.0438 7.3372 118.6732 53.6835 42.2453 175.7783 103 F 5.2823 8.1844 130.4621 56.4128 38.3182 176.5594 104 H 4.7617 7.7580 121.7143 58.1121 29.9374 178.6415 105 L 4.1124 8.0374 118.4917 57.4611 41.7245 177.1968 106 A 3.9235 7.0978 120.5481 51.2062 18.8845 177.5553 107 K 3.9900 8.3735 123.1823 56.8174 33.5347 175.1650 108 E 4.6932 8.4630 122.8800 53.6877 31.2142 174.6983 109 P 4.4570 0.0000 0.0000 66.3664 30.9432 178.5591 110 N 4.4401 9.1339 116.3462 56.4543 38.5947 177.3405 111 E 4.0546 8.1108 119.0706 58.7641 29.5388 178.7204 112 A 4.2770 8.0342 121.2924 55.4451 17.9865 179.2860 113 L 2.6413 8.3770 119.6481 57.9768 42.1966 179.3212 114 I 3.8732 7.5815 112.2137 63.4185 37.4627 178.0535 115 F 4.5287 9.0909 123.3813 61.4849 39.3085 176.4578 116 Y 4.4545 8.6183 119.6574 61.3470 38.5463 178.3169 117 N 4.2564 8.2568 116.4590 55.9993 38.6325 177.5238 118 K 4.0259 8.0637 119.5814 59.9102 32.1493 178.7682 119 I 3.5739 8.0673 119.9068 65.0352 36.9459 178.3044 120 I 3.6025 8.6585 120.9148 64.7210 36.9262 178.2393 121 D 4.3565 8.9411 120.5300 57.4103 40.7715 178.0921 122 E 4.0667 8.9141 120.0838 60.1683 29.3472 178.2003 123 F 4.1387 8.9163 117.1954 60.9369 38.9941 177.2864 124 K 4.1335 8.3375 120.6809 59.4697 32.2154 179.3623 125 K 4.1817 8.2193 119.2323 59.6323 31.8276 178.5977 126 Q 4.4987 8.4470 115.0735 55.5982 28.6676 175.4955 127 Y 5.1728 8.1244 120.6866 57.5268 41.5992 175.4212 128 N 4.6554 8.9855 111.8898 52.2683 42.8587 173.4275 129 D 4.3401 8.9347 125.2597 57.1407 41.2098 176.7164 130 D 4.5853 10.6100 115.5982 54.6926 42.0917 176.7959 131 K 4.1263 7.6540 116.3562 57.0908 32.0774 175.7094 132 I 4.8586 7.3475 120.3493 59.3669 39.1599 175.0510 133 K 4.8325 9.0124 126.0996 54.5933 36.3576 175.0730 134 I 5.1732 8.1820 114.3453 59.6225 41.2211 173.3075 135 G 4.2769 8.4733 109.7293 44.5560 0.0000 173.9274 136 K 4.3298 8.6527 120.5079 53.7725 30.8296 174.0047 137 F 3.6653 8.7397 126.3927 58.7561 39.5861 175.4334 138 G 4.0548 8.0906 113.8803 46.2903 0.0000 172.4505 139 N 4.8948 7.8787 116.5132 50.9515 40.0585 174.5410 140 Y 3.9850 8.7198 123.4791 58.6433 39.1126 174.9525 141 M 4.9229 7.4177 125.0153 53.5413 36.7597 174.0266 142 N 4.7534 8.5564 116.9723 52.5640 42.7732 173.2996 143 I 4.7796 8.1822 125.7084 57.9683 40.0202 174.4368 144 D 4.4778 8.6909 127.3328 54.8406 41.6788 175.9844 145 V 4.7645 8.3489 122.2814 61.4752 35.2616 175.0005 146 T 4.4742 8.9602 124.5663 61.8903 69.6749 173.0998 147 N 4.9134 8.6471 124.4604 53.1571 39.4545 175.3863 148 D 4.3919 10.0523 125.4717 51.8951 40.0720 176.3116 149 G 4.5075 8.2034 118.6498 45.6869 0.0000 170.1346 150 P 4.3899 0.0000 0.0000 61.1126 32.9895 176.3316 151 V 4.2897 7.9365 118.3652 62.5498 33.8356 173.3430 152 T 5.0787 8.5605 125.3649 62.0526 69.9942 174.2067 153 I 4.4799 8.7981 128.3563 59.9357 39.5527 174.2610 154 Y 4.8787 8.5038 126.1021 55.8998 41.7212 174.7661 155 I 4.5441 7.0244 124.8983 59.6166 41.9113 173.4555 156 D 4.8763 8.4800 125.8237 52.4443 43.0404 175.6716 157 T 3.8017 8.8290 116.3552 63.7534 69.7988 175.4384 158 H 4.7413 9.6075 120.1062 56.1769 28.5075 175.0587 159 D 4.5516 7.6319 125.6716 54.5247 41.1532 175.8726 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 8.16 5.14 0.00 1.73 2.02 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 8.94 4.72 0.00 1.43 1.70 0.00 2.21 0.00 0.00 3.04 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.38 0.00 3 V 8.16 4.87 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 0.67 0.00 0.00 1.04 0.00 0.00 4 V 8.90 4.56 2.26 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 1.14 0.00 0.00 1.17 0.00 0.00 5 I 8.69 4.81 1.90 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 1.26 0.58 0.94 0.00 0.00 6 Q 8.48 5.03 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 7 R 8.79 4.18 0.00 1.64 1.75 0.00 2.21 0.00 0.00 2.49 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.62 0.00 8 V 8.53 5.64 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 1.00 0.00 0.00 1.07 0.00 0.00 9 K 8.85 4.73 0.00 1.60 1.80 0.00 1.97 0.00 0.00 0.90 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.26 7.81 10 G 7.18 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 0.00 0.00 0.00 0.00 11 A 8.13 5.27 1.17 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 0.00 0.00 0.00 12 I 8.70 4.79 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 1.10 1.01 0.91 0.00 0.00 13 L 8.62 4.41 0.00 1.73 1.51 0.89 1.02 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 14 S 8.66 4.91 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 15 V 8.51 4.66 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.96 0.00 0.00 16 R 9.09 3.86 0.00 1.98 2.03 0.00 3.32 0.00 0.00 3.41 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 17 K 8.11 3.77 0.00 2.04 2.03 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.42 7.81 *26 E 7.80 4.08 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 27 L 8.12 5.44 0.00 1.65 1.57 0.97 1.04 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 28 E 8.92 4.74 0.00 2.00 1.74 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 2.21 2.29 0.00 29 I 8.70 4.52 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 1.03 1.46 0.94 0.00 0.00 30 I 8.11 4.73 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 1.36 0.39 0.93 0.00 0.00 31 S 7.99 4.80 0.00 3.73 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 32 E 8.59 5.29 0.00 1.77 1.77 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 2.20 2.29 0.00 33 I 8.71 4.96 1.83 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 1.20 1.74 0.90 0.00 0.00 34 K 8.48 4.67 0.00 1.70 1.40 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.35 7.81 35 N 8.04 4.94 0.00 1.44 2.31 0.00 0.00 7.39 7.87 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 36 G 7.47 4.75 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 37 L 8.77 5.28 0.00 1.64 1.56 1.10 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.28 4.35 1.76 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 1.23 0.97 0.00 0.00 39 C 8.21 4.82 0.00 2.83 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 40 F 9.19 4.70 0.00 3.08 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 41 L 8.99 5.20 0.00 1.91 1.73 1.11 1.15 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 42 G 9.55 4.63 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 43 I 8.81 5.14 2.16 0.00 0.00 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 1.71 1.14 1.30 0.00 0.00 44 H 10.67 4.57 0.00 2.82 3.68 0.00 5.62 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 45 K 7.97 3.99 0.00 1.79 1.72 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.34 7.81 46 N 7.36 5.00 0.00 2.71 2.82 0.00 0.00 6.92 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 47 D 8.39 4.63 0.00 2.72 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 48 T 8.56 4.58 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 1.30 0.00 0.00 49 W 8.78 3.80 0.00 3.68 3.41 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 50 E 9.10 3.91 0.00 1.97 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 2.56 0.00 51 D 8.35 4.39 0.00 2.84 2.78 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 52 A 8.17 3.66 0.60 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 53 L 7.40 3.26 0.00 1.63 1.59 0.92 0.68 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 54 Y 7.98 3.90 0.00 2.98 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 55 I 7.72 3.57 1.87 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 1.87 0.65 0.94 0.00 0.00 56 I 7.22 3.01 1.50 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.05 0.08 0.00 0.00 57 R 7.46 3.76 0.00 1.85 1.75 0.00 3.00 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 58 K 8.22 3.83 0.00 1.53 1.67 0.00 1.61 0.00 0.00 1.41 0.00 0.00 2.47 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.57 1.27 7.81 59 C 8.13 3.98 0.00 3.33 3.24 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 60 L 8.39 4.15 0.00 1.63 1.55 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.33 4.74 0.00 2.97 2.80 0.00 0.00 7.00 7.73 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 62 L 8.21 3.83 0.00 1.66 1.68 0.89 -0.16 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 63 R 8.60 4.71 0.00 1.95 2.11 0.00 3.09 0.00 0.00 3.37 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 64 L 8.84 5.19 0.00 1.14 1.63 0.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.17 4.60 0.00 3.39 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 66 N 8.33 4.88 0.00 2.73 2.72 0.00 0.00 6.24 6.92 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 67 N 9.37 5.02 0.00 2.65 2.63 0.00 0.00 7.91 8.11 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 68 D 8.85 4.21 0.00 2.77 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 0.00 0.00 0.00 69 N 9.34 4.37 0.00 2.66 2.85 0.00 0.00 6.81 6.68 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 70 K 8.65 4.34 0.00 1.95 1.94 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.40 7.81 71 T 8.40 4.80 3.44 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 0.97 0.00 0.00 72 W 6.72 4.00 0.00 3.44 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 73 D 7.99 4.83 0.00 2.92 2.55 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 74 K 8.06 4.61 0.00 1.75 1.63 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.32 7.81 75 N 8.97 5.54 0.00 3.11 3.08 0.00 0.00 6.95 7.09 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 76 V 8.86 3.24 2.46 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 0.89 0.00 0.00 1.11 0.00 0.00 77 K 7.28 3.54 0.00 1.81 1.63 0.00 1.27 0.00 0.00 1.40 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.53 1.37 7.81 78 D 8.03 4.44 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 6.81 3.85 0.00 0.27 0.13 -0.08 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.02 4.11 0.00 2.71 2.84 0.00 0.00 7.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 7.76 5.13 0.00 2.82 2.78 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 82 E 8.53 5.04 0.00 1.84 1.81 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 2.19 2.27 0.00 83 L 8.55 4.90 0.00 1.38 1.30 1.09 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.60 4.69 0.00 1.71 1.44 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.34 4.51 1.65 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.30 0.87 0.00 0.00 86 V 8.21 4.48 1.77 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 0.93 0.00 0.00 0.78 0.00 0.00 87 S 8.89 4.27 0.00 2.80 3.16 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 88 Q 10.23 4.41 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 89 F 8.48 4.60 0.00 3.35 3.30 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 90 T 7.34 4.48 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 91 L 7.37 4.15 0.00 1.77 1.56 1.09 0.76 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 92 F 8.51 4.94 0.00 3.41 3.07 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 93 G 8.53 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 94 N 8.38 4.53 0.00 2.68 2.93 0.00 0.00 7.24 8.51 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 95 T 8.79 4.07 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 96 K 6.29 4.16 0.00 1.83 1.63 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.06 7.81 97 K 8.05 4.38 0.00 1.88 1.63 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.32 1.24 7.81 98 G 8.53 4.18 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 0.00 99 N 8.53 4.94 0.00 2.72 2.84 0.00 0.00 6.58 7.61 0.00 0.00 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 K 7.57 4.63 0.00 1.67 1.52 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.21 7.81 101 P 0.00 4.21 0.00 1.60 1.98 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 102 D 7.34 4.04 0.00 2.55 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 0.00 103 F 8.18 5.28 0.00 3.15 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 7.76 4.76 0.00 3.24 3.32 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.04 4.11 0.00 1.79 1.77 1.05 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.10 3.92 1.43 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 0.00 107 K 8.37 3.99 0.00 1.90 1.80 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.50 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.39 1.46 7.81 108 E 8.46 4.69 0.00 2.01 1.74 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 2.27 2.20 0.00 109 P 0.00 4.46 0.00 2.33 2.42 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 110 N 9.13 4.44 0.00 2.84 2.86 0.00 0.00 6.90 8.11 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 0.00 111 E 8.11 4.05 0.00 2.01 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 2.35 2.40 0.00 112 A 8.03 4.28 1.70 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 0.00 0.00 113 L 8.38 2.64 0.00 0.55 1.53 0.63 0.81 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 0.00 114 I 7.58 3.87 1.91 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 1.45 0.64 1.01 0.00 0.00 115 F 9.09 4.53 0.00 3.39 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 0.00 116 Y 8.62 4.45 0.00 3.59 3.34 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 0.00 117 N 8.26 4.26 0.00 2.96 2.92 0.00 0.00 7.12 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 0.00 118 K 8.06 4.03 0.00 2.12 1.92 0.00 1.81 0.00 0.00 1.86 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.74 7.81 119 I 8.07 3.57 2.03 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 1.10 0.74 0.81 0.00 0.00 120 I 8.66 3.60 1.83 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.28 0.83 0.00 0.00 121 D 8.94 4.36 0.00 2.97 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 0.00 122 E 8.91 4.07 0.00 2.53 2.16 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 2.37 2.33 0.00 123 F 8.92 4.14 0.00 3.27 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 0.00 124 K 8.34 4.13 0.00 1.73 1.91 0.00 1.72 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.83 7.81 125 K 8.22 4.18 0.00 2.09 1.90 0.00 2.08 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.70 7.81 126 Q 8.45 4.50 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 127 Y 8.12 5.17 0.00 2.78 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 0.00 128 N 8.99 4.66 0.00 2.54 1.90 0.00 0.00 6.49 8.49 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 0.00 129 D 8.93 4.34 0.00 2.63 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 0.00 130 D 10.61 4.59 0.00 2.61 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 7.65 4.13 0.00 0.96 1.60 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.03 0.88 7.81 132 I 7.35 4.86 1.79 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 1.48 0.87 0.67 0.00 0.00 133 K 9.01 4.83 0.00 1.63 1.61 0.00 1.43 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.35 7.81 134 I 8.18 5.17 2.05 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.74 0.83 0.00 0.00 135 G 8.47 4.28 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 0.00 136 K 8.65 4.33 0.00 1.70 1.76 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.44 0.99 7.81 137 F 8.74 3.67 0.00 2.71 2.90 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 0.00 138 G 8.09 4.05 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 0.00 0.00 0.00 139 N 7.88 4.89 0.00 2.97 2.79 0.00 0.00 6.80 6.74 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 0.00 140 Y 8.72 3.99 0.00 2.97 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 0.00 141 M 7.42 4.92 0.00 1.82 1.76 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.44 0.00 142 N 8.56 4.75 0.00 2.78 2.59 0.00 0.00 7.40 7.66 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 0.00 143 I 8.18 4.78 1.92 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 1.32 1.72 0.93 0.00 0.00 144 D 8.69 4.48 0.00 2.68 2.62 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 0.00 145 V 8.35 4.76 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.07 0.00 0.00 146 T 8.96 4.47 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 0.00 147 N 8.65 4.91 0.00 2.61 2.76 0.00 0.00 6.97 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 0.00 148 D 10.05 4.39 0.00 2.62 2.55 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 0.00 149 G 8.20 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 0.00 0.00 0.00 0.00 150 P 0.00 4.39 0.00 2.06 2.02 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 151 V 7.94 4.29 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 1.17 0.00 0.00 0.87 0.00 0.00 152 T 8.56 5.08 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 1.30 0.00 0.00 153 I 8.80 4.48 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.91 0.88 0.00 0.00 154 Y 8.50 4.88 0.00 2.96 2.85 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 0.00 155 I 7.02 4.54 1.71 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 1.10 0.69 0.99 0.00 0.00 156 D 8.48 4.88 0.00 2.74 2.62 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 0.00 157 T 8.83 3.80 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 1.14 0.00 0.00 158 H 9.61 4.74 0.00 3.20 3.33 0.00 5.59 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.63 4.55 0.00 2.60 2.52 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 * Residues marked with a * may have inaccurate shift predictions.