NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.1762 8.2548 109.1054 44.9773 0.0000 174.8588 17 I 3.5309 7.1550 120.8349 63.8029 37.2400 175.5216 18 T 3.9714 7.5888 116.4441 63.5514 70.3378 173.8737 19 G 3.4315 7.4650 112.3008 44.8356 0.0000 171.5208 20 T 4.6618 7.6451 118.2312 61.5126 70.4914 174.2453 21 W 5.0115 8.2670 124.7039 55.0560 33.7145 173.9177 22 Y 5.4733 9.4970 119.0363 56.5601 42.0360 174.9635 23 N 5.5825 9.1158 120.3668 50.4551 39.8298 175.9167 24 Q 4.1571 8.6788 116.1782 58.6087 28.7639 177.0214 25 L 4.3798 8.1093 116.3242 53.9990 42.3664 176.2510 26 G 3.9307 7.6783 105.1126 45.5470 0.0000 174.8683 27 S 4.6663 8.7683 117.0878 58.8778 64.4413 173.3819 28 T 4.9113 8.9770 119.1646 61.7088 72.0627 172.9021 29 F 4.9965 8.8987 127.5094 56.4777 42.4848 173.6411 30 I 4.4527 8.7386 128.4866 59.9614 38.2695 174.9623 31 V 4.7462 7.9757 127.2463 61.0847 35.0979 174.3536 32 T 4.7028 8.7844 122.1296 61.6146 71.2824 172.9853 33 A 4.6108 8.7436 130.0981 50.7141 19.4308 177.2898 34 G 3.9330 9.5837 112.2514 44.6071 0.0000 174.3156 35 A 4.0497 8.6666 123.4984 54.3536 18.7897 178.1313 36 D 4.7637 8.0618 114.7940 53.8025 41.5237 176.7709 37 G 3.3219 8.1446 105.9148 44.7808 0.0000 172.9978 38 A 4.8309 7.7558 121.7521 51.4917 20.4087 176.5158 39 L 5.1806 9.0269 122.1618 53.2786 44.0546 175.9107 40 T 4.9062 9.6223 113.6363 59.4398 72.8571 174.7415 41 G 4.1782 7.6190 107.4242 46.0540 0.0000 170.7322 42 T 5.2008 7.6100 108.2981 60.0571 72.5518 172.0927 43 Y 4.9364 9.2252 125.7796 56.0255 41.2995 173.9231 44 E 5.2963 8.9852 126.7833 54.8169 31.5184 177.2133 45 S 4.9139 9.5724 121.9369 61.0987 63.3536 175.9030 *50 A 4.3716 8.1444 122.0085 51.9728 19.9711 178.3952 51 E 3.5107 7.7113 111.6224 58.2991 29.8463 177.6194 52 S 4.7872 7.9097 113.0557 57.8857 63.5480 172.5734 53 R 5.1542 7.4912 121.7429 55.6810 31.1247 175.1530 54 Y 4.9430 9.0845 122.4545 56.1810 42.8445 174.6193 55 V 4.2793 8.6142 122.4892 62.7313 32.3929 175.0714 56 L 5.1753 8.4650 127.2703 54.5034 43.2168 175.5484 57 T 4.8135 8.6103 114.1367 61.3421 71.4196 173.4755 58 G 4.0657 8.4367 111.5517 46.7685 0.0000 172.1174 59 R 6.0300 8.6505 118.0365 54.5189 35.1655 173.7623 60 Y 5.2949 8.1448 117.2912 55.7252 41.5424 174.2719 61 D 4.3619 9.1454 120.5647 53.9038 40.6134 176.8305 62 S 4.2753 8.1677 120.9567 59.1033 63.9929 174.6363 63 A 4.6096 8.0301 123.7453 49.9650 18.5499 173.1965 64 P 4.8926 0.0000 0.0000 60.2473 33.1485 176.9892 65 A 4.1447 8.4094 121.3951 52.9308 18.5672 177.3479 66 T 4.5750 8.4390 110.7862 61.6030 69.1006 174.7648 67 D 4.6226 8.0214 119.3515 53.7097 39.8858 176.8989 68 G 4.0619 8.2334 107.8328 45.5481 0.0000 174.4833 69 S 4.2823 8.1868 115.8775 58.2205 63.3337 174.1859 70 G 4.0026 8.3591 110.4333 46.3783 0.0000 172.6021 71 T 4.8133 8.7782 116.4917 61.6152 70.2333 174.8574 72 A 4.8093 8.7018 129.4023 52.0781 19.8834 175.9630 73 L 5.1593 9.2737 121.4637 55.2160 44.7408 174.4911 74 G 4.6724 9.2645 105.5119 45.5469 0.0000 171.9617 75 W 5.7625 8.6131 116.7540 55.6065 32.1495 173.4628 76 T 5.2535 9.4598 117.5034 61.8344 72.0127 173.2033 77 V 4.4965 8.7817 124.6087 60.9366 34.3037 173.9151 78 A 4.5160 8.3079 129.5815 49.6047 20.3871 177.3581 79 W 4.2641 8.2648 124.3578 56.4749 28.9646 176.5165 80 K 5.2312 7.9474 118.4571 54.6623 34.4523 174.2845 81 N 5.1296 9.1519 123.2984 51.5914 40.0282 174.2474 82 N 4.2967 8.6324 113.8037 55.7505 38.7819 175.4216 83 Y 4.6241 7.5282 114.8943 58.3568 39.9125 176.0365 84 R 4.7659 9.1204 117.3380 54.4750 34.2523 174.0404 85 N 5.2052 8.5176 117.7091 52.3272 40.5215 174.1086 86 A 4.1535 9.1789 129.4550 52.6614 19.6157 176.3833 87 H 4.1547 8.5953 113.6053 55.9593 26.9395 173.0735 88 S 5.2112 7.4821 111.6393 57.7885 67.1468 173.9154 89 A 5.0510 9.1172 120.6197 50.8162 22.7764 175.2226 90 T 4.8994 8.8125 118.3532 61.7298 71.5409 173.4014 91 T 4.9126 8.6364 116.2368 59.5958 71.9033 172.9061 92 W 4.9387 8.8391 124.5193 54.8244 32.1588 174.6263 93 S 4.9254 8.8130 118.9301 56.7909 64.9734 172.9132 94 G 4.4757 8.6233 113.2200 46.7808 0.0000 171.6742 95 Q 5.2924 8.1969 117.7115 55.2027 32.6111 173.4096 96 Y 4.8148 9.3181 123.4180 56.9688 40.6630 174.3453 97 V 4.1935 9.0218 127.9197 60.5039 33.1552 175.0646 98 G 3.7649 7.9104 114.7145 45.5267 0.0000 171.3047 99 G 4.1096 8.6587 106.6417 43.9793 0.0000 172.1539 100 A 4.0742 8.2229 122.2854 55.2415 18.2641 179.1002 101 E 4.4506 7.6909 116.8204 53.8782 28.4237 174.7624 102 A 4.4843 8.0062 122.4297 52.7794 19.2454 177.0242 103 R 5.2288 9.4491 117.6367 55.3552 34.0427 173.9023 104 I 5.1770 8.7963 120.2300 59.7816 40.2540 174.4496 105 N 5.4362 8.9842 125.7978 52.0247 40.4534 174.5913 106 T 5.3513 9.3960 113.5174 60.0853 73.1847 172.5420 107 Q 5.2143 8.8895 120.1800 53.7970 32.4570 174.9489 108 W 5.3829 8.5419 118.9530 54.7456 32.2945 173.9022 109 L 5.3038 8.8064 120.3202 52.9387 45.0807 175.2244 110 L 5.0836 9.4307 126.3033 53.7739 44.3804 174.8840 111 T 5.1411 8.8675 123.8444 62.0402 70.9591 173.8827 112 S 5.1232 8.7072 122.0704 56.3620 65.4209 174.3774 113 G 3.8482 8.7973 111.8047 46.7387 0.0000 173.0430 114 T 4.8163 8.3993 115.1181 59.5180 72.3284 173.4546 115 T 4.1923 8.0347 112.2557 60.7929 70.1849 175.5615 116 E 3.9575 8.6132 120.4838 59.1521 29.6389 179.4836 117 A 4.0843 8.0351 120.5113 54.2586 18.7642 177.4969 118 N 4.8392 8.1121 111.5908 52.8199 39.3829 176.4543 119 A 4.0969 7.9795 121.7003 54.2792 18.5735 179.2390 120 A 4.1937 8.0152 118.0246 54.0191 18.7236 177.8928 121 K 4.6392 7.8234 115.4664 56.7245 33.1136 177.1764 122 S 4.5788 8.0505 114.8566 60.3409 64.8852 173.3325 123 T 5.0984 7.8077 117.0247 61.7674 71.1082 173.3020 124 L 4.7757 9.1830 127.1888 53.3898 43.8777 175.9657 125 V 4.3917 7.8238 121.6791 60.2076 34.1623 175.1006 126 G 3.1628 6.3958 108.3747 45.9092 0.0000 171.3144 127 H 5.3626 7.9612 113.6034 54.3209 31.8524 172.6480 128 D 5.1045 9.3299 118.5377 53.2938 45.7500 174.3609 129 T 5.2261 8.8712 118.6957 61.8642 71.7415 173.1406 130 F 5.7186 9.6799 124.7152 56.1246 42.3288 174.5946 131 T 5.6310 9.4330 111.9695 60.2821 72.7213 174.3508 132 K 4.1825 8.7546 119.0991 56.3575 32.4371 177.4298 133 V 3.9910 7.3707 124.4730 62.9261 31.5033 174.9915 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 16 G 8.25 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 17 I 7.15 3.53 1.37 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.36 0.58 0.00 0.00 18 T 7.59 3.97 4.13 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 1.12 0.00 0.00 19 G 7.46 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 20 T 7.65 4.66 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 0.70 0.00 0.00 21 W 8.27 5.01 0.00 2.82 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 22 Y 9.50 5.47 0.00 2.96 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 23 N 9.12 5.58 0.00 2.33 2.54 0.00 0.00 6.63 7.25 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 24 Q 8.68 4.16 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 25 L 8.11 4.38 0.00 1.73 1.80 0.99 0.99 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 26 G 7.68 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 0.00 0.00 0.00 27 S 8.77 4.67 0.00 4.16 3.94 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 0.00 0.00 0.00 28 T 8.98 4.91 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 0.98 0.00 0.00 29 F 8.90 5.00 0.00 2.54 2.54 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 30 I 8.74 4.45 1.76 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.82 0.77 0.00 0.00 31 V 7.98 4.75 1.52 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 0.97 0.00 0.00 0.26 0.00 0.00 32 T 8.78 4.70 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 1.16 0.00 0.00 33 A 8.74 4.61 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.58 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 0.00 0.00 0.00 35 A 8.67 4.05 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 36 D 8.06 4.76 0.00 2.59 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 37 G 8.14 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 0.00 0.00 0.00 38 A 7.76 4.83 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 9.03 5.18 0.00 1.84 1.62 0.80 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 40 T 9.62 4.91 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 41 G 7.62 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 42 T 7.61 5.20 4.29 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 1.21 0.00 0.00 43 Y 9.23 4.94 0.00 3.09 3.02 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 44 E 8.99 5.30 0.00 1.92 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 2.26 2.23 0.00 45 S 9.57 4.91 0.00 3.96 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 *50 A 8.14 4.37 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.71 3.51 0.00 1.87 1.32 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 2.07 2.07 0.00 52 S 7.91 4.79 0.00 4.18 4.16 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 53 R 7.49 5.15 0.00 1.89 1.91 0.00 3.18 0.00 0.00 3.76 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 54 Y 9.08 4.94 0.00 2.98 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.61 4.28 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 0.81 0.00 0.00 0.96 0.00 0.00 56 L 8.47 5.18 0.00 1.79 1.61 0.69 0.74 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 57 T 8.61 4.81 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 1.25 0.00 0.00 58 G 8.44 4.07 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 0.00 0.00 0.00 59 R 8.65 6.03 0.00 1.78 1.80 0.00 3.43 0.00 0.00 3.34 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 60 Y 8.14 5.29 0.00 2.98 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 61 D 9.15 4.36 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.17 4.28 0.00 3.89 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 63 A 8.03 4.61 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 64 P 0.00 4.89 0.00 2.27 2.19 0.00 3.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 65 A 8.41 4.14 1.37 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 66 T 8.44 4.57 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 1.24 0.00 0.00 67 D 8.02 4.62 0.00 2.79 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 68 G 8.23 4.06 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 0.00 0.00 0.00 69 S 8.19 4.28 0.00 3.91 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 70 G 8.36 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.78 4.81 4.55 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 1.47 0.00 0.00 72 A 8.70 4.81 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 9.27 5.16 0.00 1.94 1.94 1.14 0.64 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 74 G 9.26 4.67 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 0.00 0.00 0.00 75 W 8.61 5.76 0.00 3.47 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 76 T 9.46 5.25 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 1.22 0.00 0.00 77 V 8.78 4.50 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 -0.81 0.00 0.00 0.83 0.00 0.00 78 A 8.31 4.52 1.16 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 0.00 0.00 79 W 8.26 4.26 0.00 3.35 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 80 K 7.95 5.23 0.00 1.86 1.73 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.55 7.81 81 N 9.15 5.13 0.00 2.83 2.74 0.00 0.00 6.62 6.85 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 82 N 8.63 4.30 0.00 1.91 2.43 0.00 0.00 6.65 7.46 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 83 Y 7.53 4.62 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.12 4.77 0.00 2.00 1.89 0.00 3.54 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 85 N 8.52 5.21 0.00 2.64 2.59 0.00 0.00 6.99 7.96 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 86 A 9.18 4.15 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 87 H 8.60 4.15 0.00 3.35 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.48 5.21 0.00 3.98 3.97 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 89 A 9.12 5.05 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 90 T 8.81 4.90 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 91 T 8.64 4.91 4.16 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 1.15 0.00 0.00 92 W 8.84 4.94 0.00 1.78 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 0.00 0.00 0.00 0.00 93 S 8.81 4.93 0.00 3.79 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 94 G 8.62 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 95 Q 8.20 5.29 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 96 Y 9.32 4.81 0.00 2.98 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 97 V 9.02 4.19 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 0.84 0.00 0.00 0.91 0.00 0.00 98 G 7.91 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.66 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 0.00 0.00 0.00 100 A 8.22 4.07 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 0.00 101 E 7.69 4.45 0.00 1.99 1.97 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 2.28 2.26 0.00 102 A 8.01 4.48 1.45 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 0.00 0.00 103 R 9.45 5.23 0.00 2.25 2.18 0.00 3.05 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.86 0.00 104 I 8.80 5.18 1.75 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 -0.10 1.09 0.00 0.00 105 N 8.98 5.44 0.00 2.73 2.81 0.00 0.00 6.07 7.14 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 0.00 106 T 9.40 5.35 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 1.36 0.00 0.00 107 Q 8.89 5.21 0.00 1.93 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 108 W 8.54 5.38 0.00 2.59 2.33 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 0.00 109 L 8.81 5.30 0.00 1.52 1.55 0.87 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.43 5.08 0.00 1.53 1.67 0.96 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.87 5.14 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 0.00 112 S 8.71 5.12 0.00 3.73 3.77 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 0.00 0.00 0.00 113 G 8.80 3.85 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 0.00 0.00 0.00 114 T 8.40 4.82 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 1.26 0.00 0.00 115 T 8.03 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 1.21 0.00 0.00 116 E 8.61 3.96 0.00 2.02 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 2.39 2.25 0.00 117 A 8.04 4.08 1.28 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 0.00 118 N 8.11 4.84 0.00 2.74 2.81 0.00 0.00 6.70 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 0.00 119 A 7.98 4.10 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.02 4.19 1.28 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 0.00 121 K 7.82 4.64 0.00 1.86 1.87 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.60 7.81 122 S 8.05 4.58 0.00 4.08 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 0.00 123 T 7.81 5.10 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 124 L 9.18 4.78 0.00 1.84 1.83 0.98 0.63 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 0.00 125 V 7.82 4.39 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 0.55 0.00 0.00 0.67 0.00 0.00 126 G 6.40 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 0.00 0.00 0.00 127 H 7.96 5.36 0.00 3.17 3.12 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.33 5.10 0.00 3.14 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.87 5.23 4.31 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 1.42 0.00 0.00 130 F 9.68 5.72 0.00 2.99 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 0.00 131 T 9.43 5.63 4.44 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 1.42 0.00 0.00 132 K 8.75 4.18 0.00 1.46 1.52 0.00 0.92 0.00 0.00 1.15 0.00 0.00 2.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 133 V 7.37 3.99 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 0.72 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.