NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4435 8.3049 120.3228 55.3974 33.4364 174.4752 2 M 4.4895 8.3824 122.1991 52.6012 34.4898 173.8245 3 K 4.5012 8.8371 123.1834 54.6288 36.3548 175.4736 4 K 4.2210 8.5409 125.7495 56.0690 32.8488 176.2158 5 I 4.5721 7.9231 123.3877 59.1634 40.3118 175.0865 6 D 4.6640 8.8192 127.3270 54.5095 41.8857 175.7291 7 V 4.8787 8.2940 121.5349 59.7915 34.7824 174.3998 8 K 4.5566 9.1446 125.1575 54.7029 34.5297 174.7789 9 I 4.3721 8.4108 128.5776 60.9840 37.0905 175.5514 10 L 4.4169 8.9849 128.1688 55.3601 43.0657 176.7939 11 D 4.8932 7.8909 118.5563 51.3927 43.3467 174.3048 12 P 4.4687 0.0000 0.0000 64.5275 31.6997 177.5341 13 R 4.1803 8.3665 118.5300 57.9879 30.2205 176.7547 14 V 4.1572 7.7758 118.9203 63.9666 31.6724 176.1921 15 G 4.1358 9.5450 116.5406 45.0973 0.0000 173.2146 16 K 4.3988 7.9898 114.4366 56.7701 32.9293 177.2008 17 E 3.8912 9.3205 127.4449 59.2006 30.4352 175.7790 18 F 5.3852 8.0531 118.8085 54.7864 40.1874 173.4919 19 P 4.6109 0.0000 0.0000 62.5471 31.8075 176.5629 20 L 4.1928 8.5981 122.9929 54.2107 42.4055 175.5073 21 P 4.3802 0.0000 0.0000 63.2783 31.8325 175.9596 22 T 4.6468 7.9087 111.0632 59.7122 71.9587 172.8849 23 Y 4.2408 8.3730 120.2877 57.5063 38.6652 175.9766 24 A 4.1852 8.9076 128.3443 54.7635 19.0091 177.0044 25 T 4.8370 7.9663 104.2950 59.4344 72.1040 175.0223 26 S 4.1073 8.8139 116.0780 60.6725 62.9825 175.2831 27 G 3.9869 7.4050 106.8463 45.0451 0.0000 173.7728 28 S 4.3182 7.7298 116.4791 58.2604 63.3546 174.4597 29 A 4.3052 8.7412 127.1837 53.7054 19.0021 177.2663 30 G 4.4778 8.0446 100.6575 44.5187 0.0000 172.1783 31 L 4.8835 8.6108 119.7675 52.6736 44.8480 175.7279 32 D 5.0811 8.5380 122.0280 53.7651 42.1413 175.6965 33 L 4.7285 8.8275 122.9274 53.2813 44.3288 175.8130 34 R 5.1283 8.3156 120.6128 54.0926 33.9248 175.0619 35 A 3.8487 8.5224 124.2202 52.1788 19.3652 176.5262 36 C 4.2164 8.7358 125.1996 58.0601 30.7823 172.5543 37 L 4.9200 7.6925 122.9453 52.5950 44.8687 176.3875 38 N 4.6339 8.9834 118.6560 56.0371 39.0135 175.0856 39 D 4.9618 7.6431 114.4079 52.1183 45.3233 175.4074 40 A 4.3103 8.6694 121.9354 52.4878 19.5230 177.0698 41 V 4.3018 8.5954 120.6146 60.9542 34.0782 174.1809 42 E 4.6391 8.8511 129.4671 55.5429 30.8006 175.1106 43 L 4.7322 9.2478 129.3428 53.0755 44.2972 175.5255 44 A 4.6002 8.5404 128.3883 50.6978 20.0484 174.7208 45 P 4.3393 0.0000 0.0000 64.5603 31.7334 177.2716 46 G 4.1933 9.2262 112.1074 45.2766 0.0000 173.2009 47 D 4.9838 8.0199 119.4381 53.8113 42.9087 175.6182 48 T 5.3052 8.4167 116.2394 62.3156 71.9599 173.4448 49 T 4.6900 9.0494 118.7966 60.3857 71.5498 172.1141 50 L 4.8690 8.5606 129.5536 53.9830 43.2972 175.4539 51 V 4.4001 8.8062 127.2834 60.5337 33.6124 173.4059 52 P 4.9055 0.0000 0.0000 62.9258 32.2632 176.8458 53 T 4.2580 7.7824 111.5967 60.0823 70.1785 175.9483 54 G 4.0138 9.3850 111.0382 45.5780 0.0000 172.4977 55 L 5.3037 7.7628 118.3676 54.0056 44.5010 174.7612 56 A 5.2816 9.0549 121.2409 50.1438 22.4691 175.1523 57 I 4.9546 8.3666 112.7414 59.4385 41.6837 174.1777 58 H 4.9580 9.0363 122.5632 54.5406 30.7726 173.0434 59 I 3.7291 8.6208 126.6012 63.1064 37.3921 177.1944 60 A 3.9628 8.3466 124.7063 52.2016 18.3539 177.5070 61 D 4.5845 7.6356 116.0012 52.7156 41.3224 174.8866 62 P 4.6666 0.0000 0.0000 64.0227 31.7625 176.8626 63 S 4.7185 8.5662 115.6199 58.6579 63.0345 172.9349 64 L 5.4376 7.9462 121.8707 53.3635 45.1706 175.0251 65 A 4.9765 9.1288 124.6774 50.4762 23.6240 174.4016 66 A 4.9161 8.6389 119.7259 50.3659 22.5323 175.3532 67 M 5.0738 8.7240 119.5641 53.7627 35.6005 174.6859 68 M 4.8332 9.2593 124.0343 54.2093 34.0082 175.3622 69 L 5.1199 8.9665 122.6425 51.9231 46.2245 174.4863 70 P 4.6687 0.0000 0.0000 62.6879 32.3060 176.6392 71 R 4.2128 8.4177 120.8224 55.7929 31.1863 178.1832 72 S 4.1960 8.7987 117.1928 61.5823 63.0241 177.1566 73 G 3.5442 7.9605 109.0838 47.3532 0.0000 175.3792 74 L 4.0658 7.9861 121.6843 57.3435 41.5078 179.8012 75 G 3.4312 8.1289 105.4135 48.0054 0.0000 175.2556 76 H 4.0658 8.2072 120.5147 58.6446 30.0710 176.9160 77 K 3.9505 8.1661 120.1771 58.6161 32.2830 176.9314 78 H 4.6246 7.8994 112.4891 54.5433 30.0704 174.3936 79 G 3.6022 7.7246 107.9494 46.5220 0.0000 173.1676 80 I 4.3778 7.4391 121.3201 59.5741 38.4092 175.1940 81 V 4.4754 8.2533 123.2566 60.1193 36.0314 174.0560 82 L 5.1686 8.5382 120.3681 54.0060 43.3999 178.5449 83 G 3.6243 9.4408 112.4274 47.3858 0.0000 174.0898 84 N 4.5666 8.0819 114.8751 52.1081 37.8172 174.9850 85 L 4.2204 8.0960 123.5881 55.0686 40.7180 174.5368 86 V 4.5414 7.4474 115.4748 60.9849 34.6256 174.0993 87 G 3.9866 8.9541 115.4285 44.6341 0.0000 172.0157 88 L 4.8825 8.4253 128.6074 53.8033 43.5474 175.4490 89 I 4.3305 8.7415 127.9858 59.6158 39.1461 175.2150 90 D 4.9165 8.6225 127.3711 53.7408 41.7677 177.9913 91 S 4.2313 8.9935 115.9571 60.8638 63.1804 175.2743 92 D 4.9568 7.9950 117.8946 52.8823 39.4657 175.3677 93 Y 4.3548 7.9967 123.0537 58.0411 39.1562 175.5477 94 Q 4.6005 7.3195 123.0761 54.1889 30.2677 175.5301 95 G 3.5947 5.3800 107.0066 43.2491 0.0000 173.4149 96 Q 4.2040 8.3159 120.3751 55.9581 29.5205 175.5798 97 L 4.4101 9.0387 125.8873 55.1370 42.5810 175.8466 98 M 4.9634 8.7467 123.2169 53.4866 35.3461 175.1586 99 I 4.3749 8.6402 123.3900 59.5033 39.8171 174.9099 100 S 4.6966 8.7363 122.8254 57.7444 63.0550 172.4093 101 V 4.7661 8.8729 129.0751 61.1555 33.1398 174.2580 102 W 5.3410 9.1289 135.0000 55.6795 33.8304 173.7661 103 N 4.8741 9.2033 127.0502 52.5037 38.3483 174.9534 104 R 3.2533 7.9748 122.1470 56.1554 30.0090 177.0717 105 G 4.2174 7.5913 110.2826 44.8881 0.0000 173.5237 106 Q 4.5201 8.6005 118.7167 55.5782 30.0543 174.6623 107 D 5.0399 7.6865 118.1321 51.9530 43.1951 176.0936 108 S 4.4931 8.8594 118.1578 58.7507 63.5027 172.9725 109 F 4.8514 9.0689 127.0619 56.7543 42.8606 173.4727 110 T 4.7045 7.6457 122.4076 62.3791 69.4302 174.4137 111 I 4.1871 8.8702 129.4069 60.6805 38.3311 175.5247 112 Q 4.6007 8.4768 126.4156 53.8245 30.7193 173.9632 113 P 4.2823 0.0000 0.0000 64.4211 31.7597 177.1972 114 G 3.7794 8.3095 111.3610 44.9776 0.0000 173.3867 115 E 4.0600 7.7758 121.9840 56.0631 30.9125 176.1226 116 R 4.5978 8.6802 126.0284 56.6225 30.0034 176.0983 117 I 4.5045 8.7703 117.6243 60.8369 39.6168 174.8852 118 A 4.8148 7.6155 123.4564 51.1217 23.0172 174.4371 119 Q 5.0613 9.1908 116.6664 54.7825 32.6963 174.1406 120 M 5.2482 9.0858 119.5295 53.7835 35.7831 173.8598 121 I 4.8823 8.5960 118.9512 59.1182 41.1865 174.1095 122 F 5.1850 8.9161 122.3890 56.0617 40.7140 175.5119 123 V 4.6400 8.7452 116.6852 58.6294 35.5142 173.6242 124 P 4.9118 0.0000 0.0000 62.9837 31.8777 176.1117 125 V 4.6130 8.4053 115.6555 59.5519 35.5210 175.2119 126 V 4.3030 8.3376 121.9726 61.1078 33.5600 174.9554 127 Q 4.3122 8.5854 125.9347 54.5020 29.3139 175.2809 128 A 4.2730 8.4153 126.5997 51.4515 19.4830 175.7604 129 E 4.5164 8.5429 122.5685 54.0664 31.4141 175.5700 130 F 4.7168 8.6264 125.4995 57.2693 39.7368 174.4373 131 N 4.8841 8.6495 123.5024 51.4294 39.7746 173.8373 132 L 4.2249 8.4999 126.6810 54.6999 42.3040 177.1848 133 V 4.5811 7.9367 115.6637 59.4668 35.5086 175.5764 134 E 4.1201 8.6818 121.2016 58.7546 29.8042 177.3246 135 D 4.5406 7.3978 115.5683 52.3651 44.8840 175.1098 136 F 4.8582 8.1018 120.9816 56.7547 40.0444 175.2870 137 D 4.5906 8.4801 121.7010 53.7199 41.3428 176.4282 138 A 4.0735 8.5393 126.8855 53.3636 18.7494 177.7811 139 T 4.5894 7.9762 113.8565 58.8334 72.9608 171.0813 *141 R 4.1367 8.4247 117.5607 58.2606 30.2195 174.9146 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 4.44 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.64 0.00 2 M 8.38 4.49 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 3 K 8.84 4.50 0.00 1.56 1.48 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.36 7.81 4 K 8.54 4.22 0.00 1.75 1.69 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.43 7.81 5 I 7.92 4.57 1.72 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.38 0.92 0.00 0.00 6 D 8.82 4.66 0.00 2.62 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 7 V 8.29 4.88 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 0.72 0.00 0.00 1.01 0.00 0.00 8 K 9.14 4.56 0.00 1.79 1.68 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.38 7.81 9 I 8.41 4.37 1.88 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 1.37 0.69 1.02 0.00 0.00 10 L 8.98 4.42 0.00 1.55 1.73 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.89 4.89 0.00 2.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.47 0.00 2.19 2.15 0.00 3.82 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 1.96 1.98 0.00 13 R 8.37 4.18 0.00 1.85 1.16 0.00 2.55 0.00 0.00 3.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.35 0.00 14 V 7.78 4.16 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 0.79 0.00 0.00 1.16 0.00 0.00 15 G 9.55 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 0.00 0.00 0.00 16 K 7.99 4.40 0.00 1.74 1.45 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.39 7.81 17 E 9.32 3.89 0.00 1.44 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 18 F 8.05 5.39 0.00 2.97 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 19 P 0.00 4.61 0.00 1.97 2.03 0.00 3.80 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 20 L 8.60 4.19 0.00 1.55 1.63 0.94 1.07 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 21 P 0.00 4.38 0.00 1.99 2.09 0.00 3.63 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 2.04 2.08 0.00 22 T 7.91 4.65 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 23 Y 8.37 4.24 0.00 3.03 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.91 4.19 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 25 T 7.97 4.84 4.26 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 1.24 0.00 0.00 26 S 8.81 4.11 0.00 3.97 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 27 G 7.41 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 0.00 0.00 0.00 28 S 7.73 4.32 0.00 4.23 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.74 4.31 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 30 G 8.04 4.48 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 0.00 0.00 0.00 31 L 8.61 4.88 0.00 1.47 1.31 1.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.54 5.08 0.00 2.53 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 33 L 8.83 4.73 0.00 1.54 1.53 0.89 0.84 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 34 R 8.32 5.13 0.00 1.68 1.65 0.00 3.32 0.00 0.00 3.49 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 35 A 8.52 3.85 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 36 C 8.74 4.22 0.00 3.05 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 37 L 7.69 4.92 0.00 1.48 1.65 0.89 1.11 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 38 N 8.98 4.63 0.00 2.75 2.91 0.00 0.00 6.73 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 39 D 7.64 4.96 0.00 2.49 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 40 A 8.67 4.31 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 41 V 8.60 4.30 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 0.84 0.00 0.00 0.94 0.00 0.00 42 E 8.85 4.64 0.00 1.99 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 2.27 2.38 0.00 43 L 9.25 4.73 0.00 1.82 1.64 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.54 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.34 0.00 2.06 2.23 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 46 G 9.23 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 0.00 0.00 0.00 0.00 47 D 8.02 4.98 0.00 2.92 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 48 T 8.42 5.31 4.25 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 1.29 0.00 0.00 49 T 9.05 4.69 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 1.26 0.00 0.00 50 L 8.56 4.87 0.00 1.68 1.57 0.93 0.89 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 51 V 8.81 4.40 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 0.94 0.00 0.00 52 P 0.00 4.91 0.00 2.14 2.04 0.00 3.62 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 2.23 2.10 0.00 53 T 7.78 4.26 4.26 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 1.27 0.00 0.00 54 G 9.38 4.01 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 0.00 55 L 7.76 5.30 0.00 1.81 1.75 0.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 56 A 9.05 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 57 I 8.37 4.95 2.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.11 1.03 0.00 0.00 58 H 9.04 4.96 0.00 3.08 3.22 0.00 5.78 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.62 3.73 1.98 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.86 1.05 0.00 0.00 60 A 8.35 3.96 1.15 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 61 D 7.64 4.58 0.00 2.68 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 62 P 0.00 4.67 0.00 2.23 2.17 0.00 3.42 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 63 S 8.57 4.72 0.00 4.07 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 64 L 7.95 5.44 0.00 1.64 1.66 1.07 0.77 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 65 A 9.13 4.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.64 4.92 0.66 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 0.00 0.00 67 M 8.72 5.07 0.00 1.86 1.87 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 68 M 9.26 4.83 0.00 1.88 1.92 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 69 L 8.97 5.12 0.00 1.47 1.49 0.91 0.93 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 70 P 0.00 4.67 0.00 1.91 1.95 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 71 R 8.42 4.21 0.00 1.84 1.83 0.00 3.12 0.00 0.00 3.52 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 72 S 8.80 4.20 0.00 4.03 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 73 G 7.96 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 0.00 0.00 0.00 74 L 7.99 4.07 0.00 1.60 1.64 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.13 3.43 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 76 H 8.21 4.07 0.00 3.07 3.43 0.00 5.95 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.17 3.95 0.00 1.71 1.82 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.06 1.34 7.81 78 H 7.90 4.62 0.00 3.05 3.08 0.00 5.89 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 79 G 7.72 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 80 I 7.44 4.38 1.34 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.36 0.59 0.00 0.00 81 V 8.25 4.48 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 0.61 0.00 0.00 0.77 0.00 0.00 82 L 8.54 5.17 0.00 1.74 1.76 0.90 0.86 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 83 G 9.44 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 84 N 8.08 4.57 0.00 2.79 2.87 0.00 0.00 6.12 7.79 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 85 L 8.10 4.22 0.00 1.87 1.94 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.45 4.54 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 0.82 0.00 0.00 0.93 0.00 0.00 87 G 8.95 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 0.00 0.00 0.00 88 L 8.43 4.88 0.00 1.60 1.53 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.74 4.33 1.84 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 1.13 0.86 1.02 0.00 0.00 90 D 8.62 4.92 0.00 2.68 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 91 S 8.99 4.23 0.00 4.10 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 92 D 7.99 4.96 0.00 2.83 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 93 Y 8.00 4.35 0.00 2.98 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 94 Q 7.32 4.60 0.00 1.81 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 1.99 2.26 0.00 95 G 5.38 3.59 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 0.00 96 Q 8.32 4.20 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 97 L 9.04 4.41 0.00 1.69 1.64 0.98 1.10 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 98 M 8.75 4.96 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.75 0.00 99 I 8.64 4.37 1.87 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 1.10 0.65 0.91 0.00 0.00 100 S 8.74 4.70 0.00 3.90 3.95 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 0.00 101 V 8.87 4.77 2.12 0.00 0.00 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 1.00 0.00 0.00 102 W 9.13 5.34 0.00 3.32 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 0.00 103 N 9.20 4.87 0.00 2.77 2.81 0.00 0.00 6.59 8.00 0.00 0.00 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 R 7.97 3.25 0.00 0.91 0.66 0.00 2.79 0.00 0.00 2.90 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.15 0.00 105 G 7.59 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.60 4.52 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.63 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 107 D 7.69 5.04 0.00 2.55 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.86 4.49 0.00 3.90 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.07 4.85 0.00 3.09 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 0.00 110 T 7.65 4.70 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 1.11 0.00 0.00 111 I 8.87 4.19 1.98 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 1.51 0.90 0.96 0.00 0.00 112 Q 8.48 4.60 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.04 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 113 P 0.00 4.28 0.00 2.20 2.39 0.00 3.71 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 2.10 2.13 0.00 114 G 8.31 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 0.00 0.00 0.00 115 E 7.78 4.06 0.00 2.14 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 2.42 2.38 0.00 116 R 8.68 4.60 0.00 1.74 1.88 0.00 3.22 0.00 0.00 3.45 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 117 I 8.77 4.50 1.86 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 1.13 0.63 0.94 0.00 0.00 118 A 7.62 4.81 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 0.00 119 Q 9.19 5.06 0.00 2.13 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 120 M 9.09 5.25 0.00 1.92 1.78 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.88 0.00 121 I 8.60 4.88 1.91 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 1.31 1.12 0.99 0.00 0.00 122 F 8.92 5.18 0.00 3.02 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 0.00 123 V 8.75 4.64 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 0.75 0.00 0.00 0.99 0.00 0.00 124 P 0.00 4.91 0.00 1.95 2.00 0.00 3.65 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 2.05 2.15 0.00 125 V 8.41 4.61 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 0.66 0.00 0.00 0.95 0.00 0.00 126 V 8.34 4.30 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 0.85 0.00 0.00 0.94 0.00 0.00 127 Q 8.59 4.31 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 128 A 8.42 4.27 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 0.00 129 E 8.54 4.52 0.00 1.90 1.87 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 2.23 2.29 0.00 130 F 8.63 4.72 0.00 3.03 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 0.00 131 N 8.65 4.88 0.00 2.69 2.78 0.00 0.00 7.14 7.78 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 0.00 132 L 8.50 4.22 0.00 1.68 1.61 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 133 V 7.94 4.58 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 0.86 0.00 0.00 0.92 0.00 0.00 134 E 8.68 4.12 0.00 1.90 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 2.26 2.24 0.00 135 D 7.40 4.54 0.00 2.53 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.10 4.86 0.00 3.05 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.48 4.59 0.00 2.70 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 0.00 138 A 8.54 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 0.00 139 T 7.98 4.59 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 *141 R 8.42 4.14 0.00 1.78 1.87 0.00 3.22 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.