NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.3298 8.3545 119.0729 56.9702 31.0112 175.8327 *4 Y 4.3649 7.9398 110.2843 57.9462 41.0802 170.9360 5 G 3.5952 7.9042 109.4687 45.9248 0.0000 172.3643 6 A 4.2474 7.5543 126.6707 52.4151 21.6127 178.6007 7 T 3.8634 8.6447 110.1158 63.3286 68.7020 170.1939 8 S 4.1583 9.2817 121.3771 60.1852 59.8818 174.1745 9 T 4.7276 7.4432 119.9842 60.0110 70.9985 173.6421 10 N 4.8524 8.1139 131.0547 53.6267 40.0786 176.7389 11 P 4.7058 0.0000 0.0000 60.4592 31.5212 179.9935 12 A 4.7253 9.6687 135.0000 51.7192 21.7727 176.0650 13 K 3.5945 7.8573 126.6892 57.1831 28.3854 177.9751 14 S 5.0696 8.2502 121.5029 55.9815 65.6418 170.9175 15 A 4.7748 8.9389 120.3445 52.5771 22.3559 176.3872 16 S 5.1573 8.1175 118.1928 57.9068 66.7090 171.8553 17 A 4.2772 8.6405 118.9841 54.4277 22.0717 176.3628 18 R 4.8701 8.3911 119.5421 55.5994 34.0561 174.9228 19 G 4.1778 9.0477 104.6633 46.0379 0.0000 174.2115 20 S 4.9561 8.8612 127.2172 58.1316 64.8671 174.9960 *21 Y 4.4933 8.2389 115.4122 58.5771 34.7585 175.2010 22 L 4.1036 7.6668 126.2662 55.2311 41.8017 179.5490 23 R 4.6593 8.4798 126.5032 54.6805 28.3374 173.7592 24 V 4.2704 7.5865 127.6514 60.3121 34.2264 176.7812 25 S 4.3536 9.1448 114.9368 61.4962 63.5763 176.7391 *26 F 3.3012 8.0273 116.8935 59.3131 38.8945 183.3661 27 K 3.8366 8.8166 130.1283 57.9424 32.9466 181.1781 28 N 4.8650 10.9700 119.0586 57.9088 38.7266 182.7450 29 T 4.2588 7.1714 117.8486 63.9538 68.2518 178.8626 30 R 4.5634 9.0506 122.4303 60.7111 28.9987 185.0000 31 E 3.7418 8.7439 114.0871 60.6273 31.1633 180.5533 32 T 4.0084 8.1141 111.7676 63.5290 69.9903 177.7460 33 A 3.6051 8.8115 119.1684 56.4323 17.7467 181.3827 34 Q 4.3880 5.7400 114.7855 53.7728 28.3021 180.4473 35 A 4.4459 9.4721 125.6424 55.7750 19.3624 180.7496 36 I 3.8647 7.7081 115.7909 62.9665 35.8533 178.7206 37 N 4.3855 8.1263 116.5379 54.5269 37.4196 177.8122 38 G 4.2027 9.1016 115.2534 44.8333 0.0000 173.4480 *39 W 4.9832 7.3500 121.3952 54.1441 32.6486 178.7204 40 E 4.1995 8.6304 115.6852 57.2098 29.5285 178.6487 41 L 4.1774 8.6150 129.9588 59.4818 40.8456 177.0331 42 T 4.5488 8.0022 115.6716 66.1214 68.5805 182.6737 43 K 4.0846 7.9764 124.3875 60.4015 31.8996 180.3419 44 A 4.2399 8.9986 124.4712 55.6824 18.0117 180.0082 45 Q 4.1018 8.1325 122.3980 60.9224 28.4249 182.0687 46 K 4.3747 8.1620 126.0607 60.9557 31.6589 183.7233 *47 Y 4.5056 8.4611 123.7382 62.5666 36.7275 181.3284 48 L 4.4444 7.7847 123.8997 58.3109 41.6511 180.3126 49 E 4.7596 9.0430 117.9370 58.3646 32.4484 183.4787 50 Q 3.9057 9.1155 120.4080 58.8368 28.1617 180.9098 51 V 4.4503 7.6759 122.0812 63.3716 30.0807 177.5199 52 L 5.1384 8.6472 134.6298 54.4598 38.6896 173.4468 53 D 4.4352 7.9830 122.8731 55.4608 40.2054 179.2904 *54 H 4.0928 9.6836 115.1474 56.9510 25.0171 178.9759 55 Q 4.7038 8.8833 115.5747 53.4601 30.1511 176.9592 56 R 4.8023 7.1678 116.7706 55.6203 31.0177 175.3792 57 A 5.1942 7.8623 125.6413 49.9493 23.3384 176.1596 58 I 3.5965 8.5632 120.2739 61.8630 36.3455 172.4280 59 P 4.7181 0.0000 0.0000 61.3752 30.8832 172.5474 *60 F 4.5126 8.1009 127.8404 56.5584 38.0318 173.9891 61 R 4.5379 8.9375 122.7643 55.0861 31.5104 171.9742 62 R 4.5661 7.6149 112.8637 58.9624 32.7569 184.2068 *63 F 4.5024 7.8740 121.2935 57.1581 37.2757 179.2138 64 N 5.0176 7.9979 121.7267 51.1242 38.3815 175.2823 65 S 4.6498 8.1572 120.4728 57.7746 66.4038 173.2881 66 S 4.7525 9.2555 123.5678 57.9229 60.6311 167.9305 67 I 3.9154 7.4885 118.1556 59.6560 35.5502 177.2854 68 G 4.1706 8.0547 115.8957 43.9068 0.0000 172.5558 69 R 3.6117 7.0889 117.4294 57.0061 30.5239 172.9512 70 T 4.0319 8.6495 109.0066 63.5936 70.6572 174.2898 71 A 3.6333 8.3488 124.2165 55.2914 15.3838 178.4328 72 Q 4.6049 7.7491 122.5170 55.6068 30.0709 172.0866 73 G 4.0587 8.4631 112.6601 46.1502 0.0000 173.7810 74 K 4.2072 7.6356 124.6759 52.4794 29.0559 179.5322 75 E 4.3907 8.1313 120.0760 55.0785 30.1027 176.4555 *76 F 4.6659 7.7912 111.9148 57.9841 41.2739 171.0615 77 G 3.8253 8.8393 111.6952 47.8816 0.0000 176.8690 78 V 3.2334 8.1222 115.7084 56.9484 33.0392 180.9387 79 T 3.3355 8.3219 110.1436 62.1506 68.4839 176.6074 80 K 4.5360 8.4659 117.4667 53.5052 34.9433 177.3825 81 A 4.6092 7.5615 123.2730 53.3341 22.9504 178.0718 82 R 4.4526 10.4559 119.5371 56.3845 29.9767 176.4234 *83 W 4.1300 10.2578 129.8051 60.4636 31.3419 179.9783 84 P 3.8714 0.0000 0.0000 65.4242 32.7094 179.3443 85 A 3.8246 6.9349 123.9291 54.1871 17.2381 181.9492 86 K 4.4947 8.5141 125.2463 63.2598 31.8456 176.7603 87 S 4.3084 8.8274 120.1540 63.5938 61.7911 179.6842 88 V 3.8244 7.9011 122.4519 66.7524 31.7581 181.1122 89 K 4.1692 7.9619 125.7702 60.6044 31.8906 181.4135 *90 F 4.5446 8.2751 124.3802 62.0266 37.9303 180.7565 91 V 3.9756 8.2078 122.2540 66.5194 31.2335 181.5910 92 Q 4.3350 8.2486 120.4890 60.9301 27.9669 181.2430 93 G 3.9888 8.2034 109.4856 48.7586 0.0000 175.7529 94 L 4.1268 8.0506 129.2926 59.1978 41.2537 182.2643 95 L 4.4048 7.7423 123.6184 60.5850 40.9823 183.9298 96 Q 4.3200 8.4537 124.9663 60.8815 27.7918 180.9204 97 N 4.8528 7.8215 116.8011 55.5451 37.6541 177.8565 98 A 4.3492 9.1782 123.7494 53.4428 18.4078 180.4876 99 A 3.7910 7.5699 116.9426 53.9648 18.8346 179.2307 100 A 4.0487 8.6946 122.1023 56.2209 18.2032 180.3761 101 N 4.9067 8.0591 114.8461 54.9532 38.2399 177.8165 102 A 4.7094 8.2399 127.8717 55.0022 21.7798 179.4276 103 E 4.0503 7.9973 112.0713 59.1702 30.0432 180.8969 104 A 3.9940 8.3735 123.8324 55.8884 18.8208 179.8883 105 K 4.3834 8.0448 118.0863 54.5504 29.1530 176.3573 106 G 4.8031 7.5122 117.0036 45.1962 0.0000 170.8692 107 L 4.7420 8.4930 127.3259 53.0417 44.4537 178.3308 108 D 4.6866 8.6928 111.9862 53.9614 40.3507 179.3446 109 A 3.5029 8.7699 124.3204 55.2495 19.1157 178.3738 110 T 4.5839 8.6967 111.5509 58.6246 67.8265 175.7330 111 K 4.3721 8.4353 135.0000 56.5275 35.2114 176.3710 112 L 4.8770 7.0571 128.8567 54.5468 39.3670 177.6845 *113 Y 4.6188 8.7006 130.8233 57.9148 35.1440 176.0353 114 V 3.3388 6.4347 124.4740 59.2002 29.7770 177.1759 115 S 4.9645 8.3396 125.6992 58.3960 64.3247 173.6373 *116 H 4.3736 8.2538 122.0891 56.0693 31.1807 175.9234 117 I 4.0802 8.6830 126.0973 58.7846 37.0185 174.1191 118 Q 2.8778 7.4052 121.2619 55.9303 25.0472 176.6976 119 V 4.6015 8.2507 129.3107 59.4578 33.5588 172.4991 120 N 5.1871 8.7866 126.3620 50.4569 41.6583 172.2174 121 Q 4.2182 8.6421 119.1939 57.7297 29.1870 176.5268 122 A 4.5822 8.9315 120.3813 54.1989 18.5957 175.6554 123 P 4.8737 0.0000 0.0000 61.1003 37.1571 178.0588 124 K 5.0088 8.1375 117.4935 55.9894 31.6872 181.8314 125 Q 4.5972 8.0130 116.6053 55.5923 26.9333 179.5193 126 R 5.1591 8.1559 129.6372 58.6208 31.4258 173.0573 127 R 4.4772 8.1409 124.1190 56.4169 33.7616 173.4746 128 R 4.6928 8.1151 119.1661 56.3000 29.1696 178.4904 129 T 4.9509 8.1741 111.0620 61.2983 71.8214 174.8718 *130 Y 4.6274 8.4141 113.2966 57.8095 36.5563 170.4518 131 R 4.6555 7.0357 120.9654 54.4352 34.4520 173.1615 132 A 3.8152 8.6788 126.1823 53.6330 18.3584 179.3642 *133 H 4.4788 8.3813 117.5772 52.7946 25.7520 173.8717 134 G 4.3713 8.8453 119.4144 46.3946 0.0000 173.1320 135 R 3.9260 7.8007 119.1749 56.6602 29.7425 178.5482 136 I 4.3757 8.2411 118.8915 59.1671 37.2505 176.6051 137 N 5.0038 8.5199 127.8309 51.4414 40.0406 171.5716 138 K 4.8113 8.5676 123.8506 55.8327 33.4712 176.8815 *139 Y 4.7249 8.7330 126.5332 55.6191 40.0357 173.4964 140 E 4.7757 8.7847 124.2171 54.2821 34.1586 172.8823 141 S 4.2912 8.8161 124.8698 58.0753 63.1845 172.6890 142 S 4.9117 8.7743 128.4772 57.6306 59.1795 169.5935 143 P 4.0520 0.0000 0.0000 63.9400 31.1770 175.3127 144 S 4.2671 9.9964 115.4243 57.4857 64.8952 173.3649 *145 H 4.4125 8.0877 130.3302 54.2868 25.2804 176.3808 146 I 5.0572 7.7143 126.3345 58.7634 40.3087 172.6359 147 E 4.9712 8.6088 120.1956 57.2787 33.8600 175.0211 148 L 5.6074 9.3055 129.4269 52.3226 44.6675 173.9599 149 V 4.6624 8.0403 123.2256 59.1010 33.6664 172.9222 150 V 4.0987 8.2284 128.2229 62.1022 33.1111 175.8281 151 T 5.0605 8.3612 121.5958 60.5605 72.1947 170.8190 152 E 4.7829 8.6272 118.2988 57.5308 31.5269 171.9065 153 K 4.6161 8.1229 118.1909 56.2264 35.8683 168.8240 154 E 3.7369 9.5443 125.8453 57.1911 29.6423 176.4393 155 E 3.9738 9.1361 116.6418 54.6224 28.2032 172.4528 156 A 4.1631 7.6132 124.8791 54.1198 19.1634 176.2280 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 R 8.35 4.33 0.00 1.85 1.81 0.00 3.27 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 *4 Y 7.94 4.36 0.00 2.35 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 0.00 0.00 0.00 0.00 5 G 7.90 3.60 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 6 A 7.55 4.25 1.21 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 7 T 8.64 3.86 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 8 S 9.28 4.16 0.00 3.78 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 9 T 7.44 4.73 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 10 N 8.11 4.85 0.00 2.72 2.72 0.00 0.00 6.71 7.75 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 11 P 0.00 4.71 0.00 2.08 1.87 0.00 3.80 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 1.90 1.58 0.00 12 A 9.67 4.73 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 13 K 7.86 3.59 0.00 1.93 1.72 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 0.98 7.81 14 S 8.25 5.07 0.00 3.33 3.66 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 15 A 8.94 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 16 S 8.12 5.16 0.00 3.36 3.64 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 17 A 8.64 4.28 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 18 R 8.39 4.87 0.00 1.54 1.68 0.00 3.21 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.20 0.00 19 G 9.05 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 20 S 8.86 4.96 0.00 3.43 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.24 4.49 0.00 2.33 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 0.00 0.00 0.00 22 L 7.67 4.10 0.00 1.56 1.60 0.92 0.87 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 23 R 8.48 4.66 0.00 1.82 1.78 0.00 3.19 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.19 0.00 24 V 7.59 4.27 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 0.69 0.00 0.00 0.93 0.00 0.00 25 S 9.14 4.35 0.00 3.65 3.88 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 *26 F 8.03 3.30 0.00 2.32 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 0.00 0.00 0.00 27 K 8.82 3.84 0.00 1.77 1.77 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.01 7.81 28 N 10.97 4.86 0.00 2.72 2.82 0.00 0.00 6.93 7.10 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 29 T 7.17 4.26 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 30 R 9.05 4.56 0.00 1.84 1.33 0.00 3.26 0.00 0.00 3.20 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 31 E 8.74 3.74 0.00 2.01 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 2.22 1.93 0.00 32 T 8.11 4.01 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 33 A 8.81 3.61 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 34 Q 5.74 4.39 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 35 A 9.47 4.45 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 36 I 7.71 3.86 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 1.16 0.70 0.91 0.00 0.00 37 N 8.13 4.39 0.00 2.73 2.69 0.00 0.00 6.91 7.51 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 38 G 9.10 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *39 W 7.35 4.98 0.00 2.66 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 0.00 0.00 0.00 40 E 8.63 4.20 0.00 1.89 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.87 0.00 41 L 8.61 4.18 0.00 1.67 1.72 0.92 0.72 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 42 T 8.00 4.55 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 43 K 7.98 4.08 0.00 1.75 1.87 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.10 7.81 44 A 9.00 4.24 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 45 Q 8.13 4.10 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 46 K 8.16 4.37 0.00 1.78 1.79 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.32 7.81 *47 Y 8.46 4.51 0.00 2.31 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 0.00 0.00 0.00 0.00 48 L 7.78 4.44 0.00 1.75 1.62 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.04 4.76 0.00 1.79 1.90 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 2.12 2.08 0.00 50 Q 9.12 3.91 0.00 1.91 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 51 V 7.68 4.45 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.93 0.00 0.00 52 L 8.65 5.14 0.00 1.76 1.69 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.98 4.44 0.00 2.69 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 *54 H 9.68 4.09 0.00 3.11 3.09 0.00 7.11 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.88 4.70 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.11 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 56 R 7.17 4.80 0.00 1.83 1.98 0.00 3.17 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.92 0.00 57 A 7.86 5.19 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *133 H 8.38 4.48 0.00 2.94 2.91 0.00 7.17 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 0.00 134 G 8.85 4.37 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 0.00 135 R 7.80 3.93 0.00 1.84 1.76 0.00 3.21 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 136 I 8.24 4.38 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 1.27 1.25 0.91 0.00 0.00 137 N 8.52 5.00 0.00 2.40 2.71 0.00 0.00 6.88 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 0.00 138 K 8.57 4.81 0.00 1.53 1.61 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.30 1.00 7.81 *139 Y 8.73 4.72 0.00 1.95 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 0.00 0.00 0.00 140 E 8.78 4.78 0.00 1.68 1.68 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 2.11 1.85 0.00 141 S 8.82 4.29 0.00 3.42 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 0.00 142 S 8.77 4.91 0.00 3.39 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 0.00 143 P 0.00 4.05 0.00 1.84 1.91 0.00 3.68 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 1.95 1.63 0.00 144 S 10.00 4.27 0.00 3.42 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 *145 H 8.09 4.41 0.00 2.98 3.09 0.00 7.16 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.71 5.06 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 1.09 0.68 0.91 0.00 0.00 147 E 8.61 4.97 0.00 1.65 1.69 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 2.17 2.13 0.00 148 L 9.31 5.61 0.00 1.24 1.50 0.92 0.74 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 0.00 149 V 8.04 4.66 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 0.85 0.00 0.00 0.93 0.00 0.00 150 V 8.23 4.10 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 0.65 0.00 0.00 0.93 0.00 0.00 151 T 8.36 5.06 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 0.00 152 E 8.63 4.78 0.00 1.97 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.85 0.00 153 K 8.12 4.62 0.00 1.70 1.53 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 0.99 7.81 154 E 9.54 3.74 0.00 2.14 1.85 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 2.12 1.85 0.00 155 E 9.14 3.97 0.00 2.17 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 2.10 1.86 0.00 156 A 7.61 4.16 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 * Residues marked with a * may have inaccurate shift predictions.