NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 M 4.4514 8.3049 120.3193 54.8750 33.4252 175.3355 16 D 4.3041 8.5874 121.2441 55.5890 41.0090 174.9953 17 R 4.6034 8.1160 113.6400 54.7118 33.0973 174.1810 18 S 4.3077 8.3074 114.3095 58.4090 63.3810 174.2150 19 L 4.4663 8.1427 122.6540 54.3297 42.4818 177.3233 20 R 4.4554 8.9977 122.2956 54.6626 31.5835 175.9066 21 P 4.3303 0.0000 0.0000 66.6305 31.1645 179.6008 22 E 4.1041 8.1829 116.4804 60.8589 29.6992 181.1636 23 E 4.3592 8.4602 118.1005 59.4381 29.5670 179.2400 24 I 3.8926 7.7670 119.6767 64.1472 37.2213 177.7186 25 E 3.9564 8.4472 120.6014 59.3845 29.5080 178.7910 26 E 4.1501 8.1919 117.2019 59.0128 29.7739 178.9138 27 L 4.2897 8.1633 120.1663 57.9177 41.7136 179.2414 28 R 3.6811 8.8159 118.2943 59.6802 30.1756 178.8671 29 E 3.9523 8.2920 117.6371 59.3063 29.3483 179.4156 30 A 4.1069 8.1606 120.8559 55.1834 18.4980 179.4230 31 F 3.1725 8.5343 122.0839 61.7863 39.3687 178.1850 32 R 3.6929 8.1663 120.4128 61.2119 29.1149 180.5719 33 E 4.1019 7.9451 119.2127 59.0150 29.5489 178.6993 34 F 4.0153 8.3199 121.0990 61.2732 39.2886 176.6705 35 D 4.0884 8.3131 119.1692 57.8209 41.0488 178.6099 36 K 4.0342 7.5206 122.8783 59.8587 31.6937 180.3050 37 D 4.6091 7.7119 118.9269 55.7885 40.9662 177.0828 38 K 3.9602 7.0820 122.9588 56.4230 32.6043 177.0487 39 D 4.5244 8.0642 124.5003 51.6050 40.7456 171.2942 40 G 4.1856 8.6135 120.4680 45.1818 0.0000 171.0618 *41 Y 4.6704 7.2691 118.1938 53.8180 40.5134 176.8546 42 I 4.2233 8.0699 121.9815 59.6299 39.3969 175.9639 43 N 4.7355 8.3502 125.1943 52.6359 39.8207 176.0586 44 C 4.1847 8.5007 119.0602 62.6183 28.3294 176.1261 45 R 3.9019 8.0339 120.0802 59.7652 29.6546 178.1448 46 D 4.3520 8.0159 117.8844 57.1520 40.9418 178.2162 47 L 4.1996 8.3669 121.3665 58.2529 42.0858 179.2262 48 G 3.7309 8.2627 105.4558 48.1377 0.0000 175.3661 49 N 4.4705 8.2054 119.3911 56.0106 38.2595 177.3378 50 C 4.3621 8.3507 116.0932 61.6306 29.8453 175.9381 51 M 4.3283 8.4362 121.2000 58.2116 31.4661 178.8871 52 R 4.3482 8.0899 119.6782 58.7590 29.9911 179.0614 53 T 3.9140 7.8631 114.8022 66.1661 68.5587 174.7974 54 M 4.4048 7.6346 116.7271 55.0152 31.4395 176.6527 55 G 4.0778 8.4716 107.4786 45.5917 0.0000 172.7411 56 Y 4.5016 8.2755 121.3687 55.6227 40.3757 174.2041 57 M 4.3465 7.8218 127.1831 53.2150 32.3167 173.3044 58 P 4.7731 0.0000 0.0000 61.8357 33.1105 176.6333 59 T 4.1906 8.7866 111.6494 61.3671 70.8510 175.4237 60 E 3.9738 8.5873 121.4707 59.3869 29.5445 178.4830 61 M 4.0153 7.9612 117.9880 58.6146 32.3729 177.6183 62 E 3.9767 8.2694 118.7395 59.5413 29.5838 179.4339 63 L 4.0117 7.9299 118.6144 57.9933 41.7715 179.4528 64 I 3.7157 8.0550 119.9611 64.5590 37.0409 178.3289 65 E 4.1804 8.3339 120.5532 59.0952 29.3595 179.4467 66 L 4.0400 8.3170 119.5870 57.7097 41.5685 179.8140 67 S 4.1579 8.5208 114.6953 61.3754 62.7864 175.9764 68 Q 4.0683 8.0111 123.4555 59.3532 28.7130 178.9814 69 Q 4.0323 8.0684 118.5742 58.9914 28.6003 178.9066 70 I 3.8087 8.0389 120.8827 64.6678 37.1507 178.2427 71 N 3.9904 9.0953 119.2278 55.7420 38.5055 176.3107 72 M 4.5965 8.2236 116.3913 56.1275 33.9825 181.9399 73 N 4.5431 8.3067 115.5211 55.8468 39.0912 176.1479 74 L 4.4450 8.6871 116.5646 53.5571 41.7830 176.9539 75 G 4.0280 9.1699 105.7145 46.4350 0.0000 174.6924 76 G 3.9899 9.0886 105.6121 46.3478 0.0000 174.2682 77 H 4.7386 8.6675 117.6489 54.0320 28.4200 174.8887 78 V 4.5806 8.3045 124.2506 60.5384 33.7712 174.8833 79 D 5.1083 8.7191 128.3714 51.8485 42.9161 176.5668 80 F 3.0945 8.2745 119.6495 61.1799 39.0676 176.5271 81 D 3.9431 7.8853 117.2482 57.2300 41.1631 177.6474 82 D 4.3111 8.9622 119.7727 57.3574 40.7842 178.7122 83 F 3.8602 7.9260 121.1626 60.9510 39.3481 177.4156 84 V 3.3107 7.5700 118.0163 66.0627 31.0844 177.7613 85 E 3.8425 7.6510 116.8189 59.3535 29.2966 179.1608 86 L 4.0085 7.5058 117.9778 57.4785 42.1028 178.5226 87 M 4.0727 8.0949 117.8086 56.0538 32.4118 178.5310 88 G 3.7031 8.1598 106.8804 47.6842 0.0000 173.9559 89 P 4.1889 0.0000 0.0000 64.6398 31.4716 178.7837 90 K 3.5994 7.4661 117.0474 59.0109 32.0927 178.5232 91 L 4.5043 7.7209 122.3547 57.7851 41.7259 179.0681 92 L 4.2149 7.9686 115.9381 56.2916 41.5277 178.1121 93 A 4.6552 7.5378 119.7109 50.7892 20.1256 176.3253 94 E 4.1874 7.8788 120.5201 57.4544 30.3388 176.9669 95 T 4.7198 8.1849 112.5089 59.7001 71.2415 175.1425 96 A 3.9531 8.1927 123.8299 55.7601 17.9000 179.7573 97 D 4.3522 8.0312 115.3772 56.1154 39.6633 177.6497 98 M 4.2780 7.7904 118.7151 56.6226 32.5142 177.7608 99 I 4.0782 7.7218 119.0966 60.9376 38.2614 177.2891 100 G 4.1691 7.4707 103.4610 45.8809 0.0000 174.5581 101 V 3.7699 8.2015 118.5054 65.5778 31.4910 178.3235 102 K 3.9212 8.0050 119.0833 59.5306 32.0723 178.3052 103 E 4.0246 8.1869 119.1388 58.9931 29.6257 178.3998 104 L 4.1981 8.1939 119.2264 58.0070 41.6910 179.5050 105 R 4.0021 8.5010 118.7421 59.5080 29.8549 178.2216 106 D 4.3982 8.5383 118.7180 57.4138 40.9130 178.6620 107 A 4.1912 8.5023 121.4680 55.1380 18.4386 179.4592 108 F 2.8711 8.5188 119.2843 61.1417 39.2512 177.3982 109 R 4.1682 8.2760 117.2830 59.3135 29.8632 177.9194 110 E 4.1985 7.7900 117.9069 58.7966 29.5874 178.8420 111 F 4.1336 8.1066 117.3382 59.7741 40.5856 176.7214 112 D 4.6422 8.0022 120.6220 53.2942 37.9826 176.5297 113 T 3.9687 7.7573 112.5933 63.3922 69.7085 175.8814 114 N 4.6436 8.4238 118.8930 51.6777 37.3477 174.7960 115 G 4.1523 7.9464 105.0187 46.7270 0.0000 174.5605 116 D 4.3888 8.3733 118.9166 54.2310 39.6930 177.3514 117 G 4.2415 9.3438 108.1080 45.0211 0.0000 172.8224 118 E 5.2001 8.6185 117.8239 54.6120 34.0801 175.0315 119 I 5.1826 8.9087 123.0942 59.2532 39.1600 176.1820 120 S 4.7798 8.7768 122.4190 57.4074 65.1841 175.5011 121 T 3.8619 8.5658 110.1029 65.1891 68.3757 176.4391 122 S 4.0643 8.0686 117.8711 61.2161 62.8780 176.3560 123 E 3.8969 7.8769 121.1277 59.2841 29.1200 179.2438 124 L 4.0219 8.4011 123.0368 58.8262 42.2328 179.7494 125 R 3.9031 8.6350 121.0535 61.5532 29.4452 180.1797 126 E 4.0678 8.2947 120.1198 58.9031 29.6247 178.8358 127 A 3.6633 7.6976 120.9023 55.0935 18.2316 179.4700 128 M 3.9430 8.0658 117.4714 58.4141 32.0180 178.9037 129 R 4.3860 8.2165 119.8938 58.9964 30.0513 178.4982 130 A 3.9830 7.4848 118.7982 54.9054 18.3612 179.1207 131 L 4.1852 7.5533 116.6160 56.8557 42.1809 178.4560 132 L 4.4783 8.2363 117.3089 53.6697 42.0238 178.2452 133 G 4.0319 8.1834 106.6894 45.8465 0.0000 172.8976 134 H 5.0201 7.5183 114.4180 53.2714 31.8089 172.9565 135 Q 4.3352 8.5154 119.0283 55.7622 29.2988 175.8249 136 V 4.3770 7.9734 120.2920 60.5459 34.0159 176.4538 137 G 3.8891 8.6302 113.1843 45.1885 0.0000 174.2895 138 H 4.3882 8.8720 120.3274 59.1033 28.6753 178.8581 139 R 3.8180 7.6187 122.9576 61.0734 29.3468 181.2623 140 D 4.5437 7.9924 119.1108 57.3680 40.8736 178.8251 141 I 3.7345 7.7774 122.2249 65.1893 37.0269 179.0830 142 E 4.2340 7.9990 117.6202 60.9063 29.5980 180.5020 143 E 4.2401 8.1927 118.3146 59.4608 29.9016 178.4051 144 I 3.6820 8.3424 120.0390 64.8226 37.2678 178.0875 145 I 3.7370 8.1939 120.5883 64.6652 36.7385 178.3757 146 R 3.8877 8.0147 118.4201 59.5788 29.9953 177.9930 147 D 4.5059 7.8806 116.8218 56.0707 40.9192 177.2198 148 V 4.0808 7.5633 117.3755 63.5308 33.2874 175.0670 149 D 4.6077 8.4851 122.7409 54.5041 40.9593 176.1771 150 L 4.5579 9.6667 127.6233 54.3685 41.8089 173.2492 151 N 4.8843 8.3964 113.8090 52.5852 37.3872 175.5913 152 G 4.0277 8.4085 104.3843 46.8684 0.0000 174.1092 153 D 4.5084 8.0549 116.2405 52.8316 39.4592 177.3558 154 G 3.8961 8.7743 109.7604 46.8473 0.0000 174.2234 155 R 4.9265 8.4276 118.8674 54.7871 33.6717 179.7691 156 V 4.6682 8.4932 119.3835 62.0997 33.5706 175.4915 157 D 5.2361 9.9894 129.2699 52.2243 41.9166 177.1302 158 F 3.3657 8.7817 119.3517 61.5683 39.0036 176.3599 159 E 3.7777 8.2217 117.9891 59.4670 29.3613 178.4765 160 E 4.0367 8.4884 118.3348 58.7215 29.2750 179.1330 161 F 4.0690 8.0766 120.5067 61.3104 40.0112 176.9955 162 V 3.3620 7.8523 118.2590 66.0564 31.2275 178.2346 163 R 3.8808 8.0062 117.6578 59.1212 29.6057 178.4869 164 M 4.0209 7.6140 117.5161 57.7269 32.2775 176.4258 165 M 4.6074 7.5662 118.1981 55.0515 32.9251 175.3048 166 S 4.8812 7.5897 113.4063 56.6846 66.1627 174.8597 167 R 4.1354 8.3819 120.2507 56.5917 29.9642 176.6579 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 15 M 8.30 4.45 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 16 D 8.59 4.30 0.00 2.71 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.12 4.60 0.00 1.87 1.88 0.00 3.17 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 18 S 8.31 4.31 0.00 3.88 3.84 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 L 8.14 4.47 0.00 1.63 1.60 0.87 0.90 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 20 R 9.00 4.46 0.00 1.89 1.87 0.00 3.16 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 21 P 0.00 4.33 0.00 2.18 2.13 0.00 3.62 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 22 E 8.18 4.10 0.00 1.97 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 2.31 1.97 0.00 23 E 8.46 4.36 0.00 2.17 2.06 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 2.38 2.39 0.00 24 I 7.77 3.89 1.95 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 1.59 0.83 1.12 0.00 0.00 25 E 8.45 3.96 0.00 2.22 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 0.00 2.34 2.40 0.00 26 E 8.19 4.15 0.00 2.30 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 0.00 2.63 2.43 0.00 27 L 8.16 4.29 0.00 2.21 2.17 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.82 3.68 0.00 1.98 1.89 0.00 2.97 0.00 0.00 2.75 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.74 0.00 29 E 8.29 3.95 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 30 A 8.16 4.11 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 0.00 0.00 0.00 0.00 0.00 31 F 8.53 3.17 0.00 2.03 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 32 R 8.17 3.69 0.00 1.85 1.93 0.00 3.32 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 33 E 7.95 4.10 0.00 2.07 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 0.00 2.33 2.32 0.00 34 F 8.32 4.02 0.00 3.34 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 35 D 8.31 4.09 0.00 1.87 2.30 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 36 K 7.52 4.03 0.00 1.93 1.72 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.36 7.81 37 D 7.71 4.61 0.00 2.71 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 38 K 7.08 3.96 0.00 1.27 1.40 0.00 1.63 0.00 0.00 0.81 0.00 0.00 3.35 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.30 1.14 7.81 39 D 8.06 4.52 0.00 2.67 2.40 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 40 G 8.61 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 *41 Y 7.27 4.67 0.00 2.30 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 0.00 0.00 0.00 42 I 8.07 4.22 1.65 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.13 1.02 0.00 0.00 43 N 8.35 4.74 0.00 2.99 2.91 0.00 0.00 6.29 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 44 C 8.50 4.18 0.00 3.01 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 45 R 8.03 3.90 0.00 1.88 1.94 0.00 3.19 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 46 D 8.02 4.35 0.00 2.84 2.81 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 47 L 8.37 4.20 0.00 1.97 1.90 1.19 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.26 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 0.00 0.00 0.00 49 N 8.21 4.47 0.00 2.83 2.93 0.00 0.00 6.84 7.58 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 50 C 8.35 4.36 0.00 3.58 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 M 8.44 4.33 0.00 2.31 2.43 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.62 0.00 52 R 8.09 4.35 0.00 2.08 2.02 0.00 3.35 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 53 T 7.86 3.91 4.59 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 1.29 0.00 0.00 54 M 7.63 4.40 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.77 0.00 55 G 8.47 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.28 4.50 0.00 3.17 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 M 7.82 4.35 0.00 1.78 1.86 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 58 P 0.00 4.77 0.00 2.30 2.26 0.00 3.80 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 59 T 8.79 4.19 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 60 E 8.59 3.97 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 61 M 7.96 4.02 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.70 0.00 62 E 8.27 3.98 0.00 2.32 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 0.00 2.39 2.43 0.00 63 L 7.93 4.01 0.00 2.02 1.75 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.05 3.72 2.03 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 1.54 0.96 0.92 0.00 0.00 65 E 8.33 4.18 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 66 L 8.32 4.04 0.00 1.69 1.74 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.52 4.16 0.00 4.21 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 68 Q 8.01 4.07 0.00 2.14 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 69 Q 8.07 4.03 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 70 I 8.04 3.81 2.01 0.00 0.00 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 1.71 1.12 1.16 0.00 0.00 71 N 9.10 3.99 0.00 2.77 2.90 0.00 0.00 6.84 5.29 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 72 M 8.22 4.60 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 73 N 8.31 4.54 0.00 2.92 2.91 0.00 0.00 6.84 7.85 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 74 L 8.69 4.44 0.00 1.97 1.91 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 75 G 9.17 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 9.09 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 77 H 8.67 4.74 0.00 3.28 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.30 4.58 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 1.03 0.00 0.00 1.18 0.00 0.00 79 D 8.72 5.11 0.00 3.07 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.27 3.09 0.00 2.47 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 81 D 7.89 3.94 0.00 2.65 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.96 4.31 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 F 7.93 3.86 0.00 3.14 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 84 V 7.57 3.31 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 0.77 0.00 0.00 0.12 0.00 0.00 85 E 7.65 3.84 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 86 L 7.51 4.01 0.00 1.55 1.44 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 87 M 8.09 4.07 0.00 1.56 1.52 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.54 0.00 88 G 8.16 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 0.00 0.00 0.00 89 P 0.00 4.19 0.00 1.90 2.04 0.00 3.60 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 90 K 7.47 3.60 0.00 1.17 0.74 0.00 1.17 0.00 0.00 1.37 0.00 0.00 2.72 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.15 0.97 7.81 91 L 7.72 4.50 0.00 1.74 1.81 0.97 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.97 4.21 0.00 1.61 1.70 0.93 0.64 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 93 A 7.54 4.66 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 94 E 7.88 4.19 0.00 2.31 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 2.61 2.71 0.00 95 T 8.18 4.72 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 1.20 0.00 0.00 96 A 8.19 3.95 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 97 D 8.03 4.35 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 M 7.79 4.28 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 99 I 7.72 4.08 1.90 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 1.61 0.74 0.97 0.00 0.00 100 G 7.47 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.20 3.77 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 1.16 0.00 0.00 0.99 0.00 0.00 102 K 8.01 3.92 0.00 1.88 1.82 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.51 7.81 103 E 8.19 4.02 0.00 2.14 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 0.00 2.46 2.47 0.00 104 L 8.19 4.20 0.00 2.22 2.05 1.03 0.58 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 0.00 105 R 8.50 4.00 0.00 1.61 2.19 0.00 2.88 0.00 0.00 2.74 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 106 D 8.54 4.40 0.00 3.03 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 0.00 107 A 8.50 4.19 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 8.52 2.87 0.00 2.89 3.19 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 0.00 109 R 8.28 4.17 0.00 2.04 2.21 0.00 3.34 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 110 E 7.79 4.20 0.00 2.24 2.06 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 2.38 2.39 0.00 111 F 8.11 4.13 0.00 2.70 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 0.00 112 D 8.00 4.64 0.00 1.97 2.29 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 0.00 113 T 7.76 3.97 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 1.20 0.00 0.00 114 N 8.42 4.64 0.00 2.86 2.92 0.00 0.00 7.08 7.15 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 0.00 115 G 7.95 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.37 4.39 0.00 2.82 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 0.00 117 G 9.34 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 0.00 0.00 0.00 0.00 118 E 8.62 5.20 0.00 1.85 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 119 I 8.91 5.18 1.91 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.08 1.00 0.00 0.00 120 S 8.78 4.78 0.00 3.90 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 0.00 121 T 8.57 3.86 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 1.23 0.00 0.00 122 S 8.07 4.06 0.00 3.87 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 0.00 123 E 7.88 3.90 0.00 2.19 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 0.00 2.28 2.29 0.00 124 L 8.40 4.02 0.00 1.90 1.86 1.19 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.64 3.90 0.00 1.82 1.93 0.00 3.32 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 126 E 8.29 4.07 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 127 A 7.70 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 M 8.07 3.94 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.82 0.00 129 R 8.22 4.39 0.00 1.88 2.08 0.00 3.16 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 130 A 7.48 3.98 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 0.00 131 L 7.55 4.19 0.00 1.78 1.75 1.11 1.06 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 0.00 132 L 8.24 4.48 0.00 1.54 1.59 0.87 1.10 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 0.00 133 G 8.18 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 H 7.52 5.02 0.00 3.21 3.34 0.00 5.27 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.52 4.34 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 136 V 7.97 4.38 2.06 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 0.81 0.00 0.00 0.86 0.00 0.00 137 G 8.63 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 H 8.87 4.39 0.00 3.35 3.58 0.00 5.46 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 7.62 3.82 0.00 1.84 1.98 0.00 3.26 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 140 D 7.99 4.54 0.00 2.84 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 0.00 141 I 7.78 3.73 1.89 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 1.60 0.85 0.98 0.00 0.00 142 E 8.00 4.23 0.00 2.08 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 2.26 2.20 0.00 143 E 8.19 4.24 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 144 I 8.34 3.68 2.05 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 1.54 1.08 0.96 0.00 0.00 145 I 8.19 3.74 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 1.59 1.00 0.94 0.00 0.00 146 R 8.01 3.89 0.00 1.93 2.13 0.00 3.26 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 147 D 7.88 4.51 0.00 2.86 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 7.56 4.08 2.29 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 0.84 0.00 0.00 0.97 0.00 0.00 149 D 8.49 4.61 0.00 2.71 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 0.00 150 L 9.67 4.56 0.00 1.65 1.54 0.92 0.61 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 0.00 151 N 8.40 4.88 0.00 2.79 3.03 0.00 0.00 6.70 7.90 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 0.00 152 G 8.41 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 D 8.05 4.51 0.00 2.85 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 G 8.77 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 R 8.43 4.93 0.00 1.54 1.66 0.00 3.24 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 156 V 8.49 4.67 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 1.02 0.00 0.00 157 D 9.99 5.24 0.00 2.85 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 0.00 158 F 8.78 3.37 0.00 2.39 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 E 8.22 3.78 0.00 2.08 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 2.32 2.39 0.00 160 E 8.49 4.04 0.00 2.28 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 2.46 2.38 0.00 161 F 8.08 4.07 0.00 3.23 3.26 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 0.00 162 V 7.85 3.36 1.82 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 0.79 0.00 0.00 -0.05 0.00 0.00 163 R 8.01 3.88 0.00 1.84 1.90 0.00 3.16 0.00 0.00 3.05 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 164 M 7.61 4.02 0.00 1.84 2.15 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 165 M 7.57 4.61 0.00 2.04 1.75 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 166 S 7.59 4.88 0.00 3.76 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 R 8.38 4.14 0.00 1.77 1.81 0.00 3.22 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.