NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3574 8.2893 120.3294 54.3133 33.2246 175.0031 2 P 4.5095 0.0000 0.0000 61.8579 31.7409 172.9249 3 Y 5.1859 9.1804 116.5923 56.0207 42.1558 175.3735 4 I 4.2902 8.6828 122.0868 61.4908 36.9470 175.8402 5 E 4.5297 9.6748 128.6735 58.9383 30.5835 176.8524 6 K 4.2779 7.5771 115.7434 56.1565 35.9104 173.5294 7 L 5.2204 8.3601 122.2267 53.2954 45.2955 174.6707 8 E 5.1255 9.5222 125.4800 54.5355 32.5798 174.8936 9 L 5.1617 9.0682 124.1639 52.8958 45.7114 176.0072 10 K 4.5815 9.2175 124.5840 56.1495 34.9322 176.0099 11 G 3.8437 9.4106 116.8831 46.1253 0.0000 171.6804 12 F 4.7618 8.1295 122.5705 56.6591 40.8554 176.9789 13 K 3.4532 7.7599 129.9245 57.6717 31.1640 177.7545 14 S 4.1945 8.2198 122.5733 60.3573 63.1496 173.2630 15 Y 4.2744 8.4238 121.5313 56.5695 38.7701 176.3081 16 G 4.1475 8.2905 116.0233 45.2460 0.0000 173.1095 17 N 4.3366 8.6467 115.7987 55.5400 38.8347 175.1998 18 K 4.1389 7.8528 119.5315 55.0385 32.3138 176.0181 19 K 4.1461 8.6553 128.0935 57.2682 32.9475 175.6180 20 V 4.3864 9.1172 127.0646 61.1658 33.8321 174.1866 21 V 4.5538 8.3869 127.7652 61.3386 33.2145 174.7829 22 I 4.2781 8.8254 130.0544 58.7237 38.8258 173.2416 23 P 4.6757 0.0000 0.0000 62.3179 32.3273 175.7628 24 F 5.1363 8.3410 119.8241 55.6295 42.5539 175.1021 25 S 4.3706 9.0446 117.1711 57.7922 62.8489 174.4902 26 K 3.7932 8.5272 125.9879 58.3859 33.8014 177.7904 27 G 3.8035 8.6199 105.8088 45.6782 0.0000 175.8439 28 F 5.1377 9.4388 122.4151 56.4330 41.3361 173.4949 29 T 4.5623 9.0001 123.8766 61.6260 71.2400 173.0603 30 A 4.8116 8.3358 128.3319 50.3426 21.2008 175.9299 31 I 4.4508 8.3241 121.5985 59.5173 39.1714 175.2947 32 V 4.3352 8.0867 125.5030 61.0392 33.0943 174.7311 33 G 3.9823 8.0796 113.4656 44.8672 0.0000 172.4356 34 A 4.3211 8.0065 122.5869 50.8686 19.4077 176.8979 35 N 4.4664 8.4504 117.5037 55.0572 38.3644 176.0826 36 G 3.9897 9.0761 111.4016 45.2718 0.0000 174.9070 37 S 4.1282 7.9723 114.5386 59.4286 63.2797 175.2973 38 G 4.1050 7.6925 105.5820 44.8948 0.0000 175.5941 39 K 4.1384 8.2118 120.6180 59.7662 32.9556 179.5668 40 S 4.2953 8.1301 114.4724 60.9074 63.0302 175.6344 41 N 4.8338 8.0241 119.6030 55.6070 38.2084 177.0823 42 I 3.8834 8.0462 122.3288 64.1396 37.3442 178.4430 43 G 3.6766 8.2401 106.7535 47.8521 0.0000 175.6048 44 D 4.5270 8.1512 120.6028 57.1728 40.9516 178.5237 45 A 3.2654 8.4333 121.5666 54.8813 18.1261 179.8170 46 I 3.7747 7.5855 118.0830 64.4429 37.0714 178.6138 47 L 4.0983 7.9908 119.6632 57.5225 41.2472 179.3427 48 F 4.3793 8.5319 121.0399 61.4575 39.2304 177.5900 49 V 3.5781 7.7833 116.7743 63.7736 31.5089 177.1978 50 L 4.5513 7.6613 117.6625 54.4426 41.2288 177.2482 51 G 4.0288 8.0067 108.3583 45.3788 0.0000 175.9558 52 G 3.6224 7.8918 110.9070 47.3452 0.0000 174.1505 53 L 4.5056 7.1592 118.0124 53.5140 40.6642 176.6346 54 S 4.3581 8.4555 118.2558 57.5106 63.8870 174.0673 55 A 4.1286 8.7285 124.6838 55.4288 18.4360 178.0716 56 K 3.7251 7.2443 117.6039 56.2192 32.5467 176.2632 *77 A 3.8940 7.6230 119.4924 52.0043 20.3138 177.3260 78 K 4.6039 7.8372 120.6060 53.7947 32.0199 174.7507 79 Y 4.9565 6.7571 115.1582 56.2159 41.0166 175.1555 80 A 4.9825 8.8764 123.4657 49.9896 21.4876 175.7533 81 E 5.2912 9.7153 122.2496 54.5186 33.7677 174.5217 82 V 4.9934 9.0010 124.8742 61.1199 35.3438 173.8384 83 A 5.2776 9.2320 128.8401 50.0950 22.4915 174.4435 84 I 4.7943 8.6703 121.7092 59.2925 41.4575 173.6782 85 Y 4.9396 8.9355 126.2882 56.2365 40.4642 174.5729 86 F 5.3368 9.3004 123.4165 55.5572 42.5764 174.2296 87 N 4.8426 9.0201 122.2242 51.8087 40.0782 174.9770 88 N 5.4084 8.8634 126.2845 53.2328 39.7317 176.2251 89 E 4.0097 8.8632 119.6551 58.8015 29.6165 178.0414 90 D 4.5564 8.1398 115.5166 53.1962 40.0245 176.0814 91 R 4.0480 8.2035 118.5556 57.4066 27.8125 177.9769 92 G 3.6162 8.8573 109.3192 47.8912 0.0000 174.5483 93 F 4.5710 8.4882 118.7157 55.4576 40.3528 175.2306 94 P 4.6616 0.0000 0.0000 62.5902 30.1992 176.9880 95 I 4.4851 7.3220 117.5348 60.7177 41.1891 176.6758 96 D 4.7211 8.5866 128.4192 52.9726 39.8363 175.3386 97 E 4.7726 7.3558 119.7251 54.7238 34.2566 176.6993 98 D 4.5208 8.6898 121.1925 56.3278 41.8939 175.5090 99 E 5.0969 7.7252 119.2349 54.2436 33.2339 174.7381 100 V 4.3555 8.9620 125.9045 61.0287 34.6822 174.0628 101 V 4.5493 9.3016 128.4163 61.0936 34.0008 174.1112 102 I 4.9287 8.4765 129.3768 59.8757 38.9995 174.4970 103 R 5.1053 9.1032 128.4618 54.5007 32.9841 174.7238 104 R 4.8500 8.9220 125.3151 54.7382 33.9004 173.6115 105 R 5.3032 9.0453 125.0400 54.5656 33.4944 174.7684 106 V 4.7018 8.9508 118.0188 60.3954 33.7295 175.7824 107 Y 4.9525 9.0654 123.5951 56.2225 39.6943 175.1783 108 P 4.3519 0.0000 0.0000 65.7845 31.4806 177.7898 109 D 4.4902 8.1280 115.0808 54.2133 39.5382 176.9291 110 G 4.0793 7.9200 108.5054 45.1357 0.0000 174.2831 111 R 4.3360 8.5458 119.1135 56.3955 31.5281 175.6042 112 S 5.1585 8.5545 114.8666 56.9077 65.3967 173.2091 113 S 4.6864 8.6978 121.2603 56.8801 66.6850 172.5658 114 Y 5.2147 7.9459 118.5481 56.1536 41.8292 174.5749 115 W 5.3080 9.5158 120.3504 55.1548 34.4008 174.2023 116 L 4.8847 9.0645 124.2898 53.4071 44.4087 176.3604 117 N 3.9429 10.0371 126.9678 54.4343 36.5550 175.7272 118 G 3.9982 8.3929 104.7114 45.3865 0.0000 173.5912 119 R 4.7547 7.7260 119.2657 54.1132 31.9333 175.9186 120 R 4.1279 8.5241 120.6913 56.7198 30.6119 175.7305 121 A 4.8511 8.3129 123.4085 50.7935 22.8910 175.5762 122 T 4.2965 8.4821 109.9138 60.3670 71.2313 176.2388 123 R 3.3004 8.4388 121.2927 59.3901 30.0608 178.2420 124 S 4.0325 7.9222 112.5029 61.4418 62.3274 175.8930 125 E 3.9566 8.1038 121.2860 59.0715 29.1518 179.2107 126 I 3.5241 7.5980 120.0087 64.2471 37.0712 178.2114 127 L 3.9034 7.9691 120.0676 58.1144 41.4828 179.3810 128 D 4.3028 7.8027 118.1226 57.4035 40.2415 179.0527 129 I 3.7028 7.8841 120.2543 64.3294 37.0541 178.4907 130 L 3.8909 8.2629 120.1673 58.1214 41.3888 179.5218 131 T 3.8538 8.5044 115.7638 66.8178 68.1752 176.3387 132 A 3.9063 7.7887 121.0739 54.4651 18.3632 178.4773 133 A 4.2528 6.8125 117.3636 50.6194 19.1494 176.6916 134 M 3.0892 7.9978 116.6923 57.2824 29.6578 176.8510 135 I 4.5919 7.5960 117.8715 59.7073 40.7366 175.4414 136 S 4.6297 8.0843 116.4499 56.3010 65.1303 173.5361 137 P 4.3272 0.0000 0.0000 65.5293 31.2067 176.6970 138 D 4.6237 7.7929 116.7396 53.9243 41.0715 176.9122 139 G 3.8885 7.7222 109.1324 44.8814 0.0000 174.8835 140 Y 4.2242 8.3711 118.5435 60.2308 38.0793 177.2248 141 N 4.5213 8.2900 116.2804 53.8470 37.9002 174.1843 142 I 4.3923 7.4739 120.5514 59.7634 38.0859 175.5553 143 V 4.3844 8.2517 125.9746 61.0417 31.9919 174.7099 144 L 4.5735 9.4721 128.8652 52.7474 43.6378 176.1727 145 Q 4.3394 8.3494 118.8216 57.5602 29.2730 176.1468 146 G 4.1566 9.0746 110.3167 46.1557 0.0000 175.5082 147 D 4.3115 8.2968 119.7121 57.1786 40.8261 178.8502 148 I 4.0044 7.7590 120.0078 64.6608 37.1619 178.3498 149 T 3.9005 7.9148 116.2126 66.3185 68.2922 176.1529 150 K 3.7190 7.8374 121.3330 59.7943 31.9075 178.8733 151 F 4.3935 7.5374 116.0949 60.3816 38.8324 177.6404 152 I 3.9349 7.8282 118.7936 64.2304 37.1528 178.0036 153 K 4.2604 7.9827 115.8287 55.8036 32.6869 176.9263 154 M 3.9923 7.3573 119.6710 56.0129 32.8685 176.6230 155 S 4.5002 8.3838 119.2836 57.4588 65.7188 173.6673 156 P 4.2962 0.0000 0.0000 65.3028 30.9487 178.9084 157 L 3.8872 7.8314 119.0273 58.2195 42.2165 178.3277 158 E 3.9325 8.4108 119.4993 59.3922 29.1966 178.7316 159 R 3.9845 8.2038 118.7216 59.4553 30.0382 178.5373 160 R 4.0204 8.1112 118.6139 59.2267 30.0968 178.3428 161 L 4.0170 8.3498 119.3245 57.8401 41.5489 179.4940 162 L 4.1538 8.1838 118.9213 57.8641 41.5538 179.6667 163 I 3.7382 7.4443 118.5413 64.2163 36.8000 177.9587 164 D 4.4049 8.1296 119.2580 57.6487 40.7915 178.4768 165 D 4.5346 7.9301 117.5675 57.5113 40.9412 178.5641 166 I 3.9185 7.7540 119.2317 64.2899 37.2156 176.8534 167 S 4.4158 8.0141 118.2315 58.7786 62.9447 173.8486 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 8.29 4.36 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 2 P 0.00 4.51 0.00 2.34 2.36 0.00 3.68 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.73 0.00 3 Y 9.18 5.19 0.00 3.21 3.18 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 4 I 8.68 4.29 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.69 1.02 0.00 0.00 5 E 9.67 4.53 0.00 1.95 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 2.38 2.24 0.00 6 K 7.58 4.28 0.00 1.60 1.65 0.00 0.97 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 0.95 7.81 7 L 8.36 5.22 0.00 2.00 1.53 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 8 E 9.52 5.13 0.00 1.98 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 0.00 2.07 2.23 0.00 9 L 9.07 5.16 0.00 1.36 1.43 0.66 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 10 K 9.22 4.58 0.00 1.85 1.72 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.28 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.32 1.56 7.81 11 G 9.41 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 0.00 0.00 0.00 12 F 8.13 4.76 0.00 2.91 2.94 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 13 K 7.76 3.45 0.00 1.66 0.75 0.00 1.19 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.89 0.21 7.81 14 S 8.22 4.19 0.00 3.89 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 15 Y 8.42 4.27 0.00 3.29 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 16 G 8.29 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 17 N 8.65 4.34 0.00 2.70 2.85 0.00 0.00 6.71 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 18 K 7.85 4.14 0.00 1.71 1.74 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.42 7.81 19 K 8.66 4.15 0.00 1.83 1.72 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.48 7.81 20 V 9.12 4.39 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 0.87 0.00 0.00 1.11 0.00 0.00 21 V 8.39 4.55 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 0.68 0.00 0.00 0.84 0.00 0.00 22 I 8.83 4.28 1.61 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.74 0.54 0.00 0.00 23 P 0.00 4.68 0.00 1.94 1.87 0.00 3.45 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.87 0.00 24 F 8.34 5.14 0.00 3.24 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 25 S 9.04 4.37 0.00 3.86 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 26 K 8.53 3.79 0.00 1.06 1.51 0.00 1.47 0.00 0.00 1.49 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.91 0.21 7.81 27 G 8.62 3.80 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 0.00 0.00 0.00 28 F 9.44 5.14 0.00 2.89 2.83 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 29 T 9.00 4.56 4.46 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 0.00 0.00 0.00 1.43 0.00 0.00 30 A 8.34 4.81 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.32 4.45 1.96 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.87 1.01 0.00 0.00 32 V 8.09 4.34 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 0.82 0.00 0.00 0.94 0.00 0.00 33 G 8.08 3.98 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 0.00 0.00 0.00 34 A 8.01 4.32 1.27 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 0.00 0.00 0.00 35 N 8.45 4.47 0.00 2.73 2.80 0.00 0.00 7.12 7.65 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 36 G 9.08 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 37 S 7.97 4.13 0.00 3.99 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 38 G 7.69 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.21 4.14 0.00 1.98 2.16 0.00 1.37 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.44 7.81 40 S 8.13 4.30 0.00 4.13 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 41 N 8.02 4.83 0.00 3.40 3.31 0.00 0.00 6.88 7.00 0.00 0.00 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 8.05 3.88 2.09 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 1.02 0.00 0.00 43 G 8.24 3.68 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 0.00 0.00 0.00 44 D 8.15 4.53 0.00 3.14 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 45 A 8.43 3.27 0.98 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 0.00 0.00 46 I 7.59 3.77 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.41 0.95 0.00 0.00 47 L 7.99 4.10 0.00 2.01 1.81 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.53 4.38 0.00 3.14 3.15 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 49 V 7.78 3.58 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 0.97 0.00 0.00 1.09 0.00 0.00 50 L 7.66 4.55 0.00 1.67 1.81 1.03 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.01 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 52 G 7.89 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 53 L 7.16 4.51 0.00 1.88 1.80 1.12 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.46 4.36 0.00 4.03 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 55 A 8.73 4.13 1.41 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 0.00 0.00 56 K 7.24 3.73 0.00 1.88 1.86 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.44 7.81 *77 A 7.62 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.84 4.60 0.00 1.69 1.77 0.00 1.87 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 79 Y 6.76 4.96 0.00 2.69 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 80 A 8.88 4.98 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 0.00 0.00 0.00 0.00 0.00 81 E 9.72 5.29 0.00 2.20 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 0.00 2.26 2.27 0.00 82 V 9.00 4.99 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 0.86 0.00 0.00 0.38 0.00 0.00 83 A 9.23 5.28 1.27 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 0.00 0.00 0.00 84 I 8.67 4.79 1.84 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.32 0.99 0.00 0.00 85 Y 8.94 4.94 0.00 2.89 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 86 F 9.30 5.34 0.00 2.83 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 87 N 9.02 4.84 0.00 2.27 1.42 0.00 0.00 6.48 6.58 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 88 N 8.86 5.41 0.00 2.76 2.88 0.00 0.00 6.80 7.21 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 89 E 8.86 4.01 0.00 2.14 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 2.52 2.37 0.00 90 D 8.14 4.56 0.00 2.81 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 91 R 8.20 4.05 0.00 1.98 2.08 0.00 3.45 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 92 G 8.86 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 93 F 8.49 4.57 0.00 2.92 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 94 P 0.00 4.66 0.00 2.18 2.12 0.00 3.84 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 2.02 1.99 0.00 95 I 7.32 4.49 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.69 0.87 0.00 0.00 96 D 8.59 4.72 0.00 2.64 2.61 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 0.00 0.00 0.00 0.00 97 E 7.36 4.77 0.00 1.97 1.73 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 2.28 2.30 0.00 98 D 8.69 4.52 0.00 2.61 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 99 E 7.73 5.10 0.00 2.00 1.75 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 2.22 2.52 0.00 100 V 8.96 4.36 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 0.09 0.00 0.00 0.58 0.00 0.00 101 V 9.30 4.55 1.80 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 0.55 0.00 0.00 102 I 8.48 4.93 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.59 1.12 0.00 0.00 103 R 9.10 5.11 0.00 1.84 1.94 0.00 2.46 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 104 R 8.92 4.85 0.00 0.91 1.07 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.50 0.00 105 R 9.05 5.30 0.00 1.68 1.38 0.00 2.89 0.00 0.00 2.99 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.57 0.00 106 V 8.95 4.70 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 1.11 0.00 0.00 1.17 0.00 0.00 107 Y 9.07 4.95 0.00 3.16 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 0.00 108 P 0.00 4.35 0.00 2.13 2.17 0.00 3.93 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 109 D 8.13 4.49 0.00 2.81 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 0.00 110 G 7.92 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 0.00 111 R 8.55 4.34 0.00 1.93 1.96 0.00 3.03 0.00 0.00 3.06 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 112 S 8.55 5.16 0.00 3.85 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 0.00 113 S 8.70 4.69 0.00 3.08 2.93 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 0.00 114 Y 7.95 5.21 0.00 2.94 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 0.00 115 W 9.52 5.31 0.00 3.23 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 0.00 116 L 9.06 4.88 0.00 1.65 1.48 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 117 N 10.04 3.94 0.00 2.81 2.82 0.00 0.00 7.16 7.50 0.00 0.00 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 G 8.39 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 0.00 119 R 7.73 4.75 0.00 2.08 1.87 0.00 3.15 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 120 R 8.52 4.13 0.00 1.61 1.66 0.00 3.12 0.00 0.00 3.05 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.66 0.00 121 A 8.31 4.85 1.09 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 0.00 0.00 122 T 8.48 4.30 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 1.15 0.00 0.00 123 R 8.44 3.30 0.00 1.99 1.95 0.00 3.27 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 124 S 7.92 4.03 0.00 3.88 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 0.00 125 E 8.10 3.96 0.00 2.07 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 2.27 2.27 0.00 126 I 7.60 3.52 1.36 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 1.20 -0.12 0.69 0.00 0.00 127 L 7.97 3.90 0.00 1.58 1.67 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 128 D 7.80 4.30 0.00 2.62 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 0.00 129 I 7.88 3.70 2.10 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 1.53 1.01 1.04 0.00 0.00 130 L 8.26 3.89 0.00 1.75 1.81 0.95 0.75 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 0.00 131 T 8.50 3.85 4.33 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 1.17 0.00 0.00 132 A 7.79 3.91 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 0.00 133 A 6.81 4.25 0.18 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 0.00 134 M 8.00 3.09 0.00 2.13 2.13 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 2.45 2.53 0.00 135 I 7.60 4.59 1.81 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.55 0.95 0.00 0.00 136 S 8.08 4.63 0.00 3.78 3.61 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 0.00 0.00 0.00 0.00 137 P 0.00 4.33 0.00 2.24 2.21 0.00 3.80 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 1.98 2.00 0.00 138 D 7.79 4.62 0.00 2.65 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 0.00 139 G 7.72 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 0.00 140 Y 8.37 4.22 0.00 3.05 3.03 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 0.00 141 N 8.29 4.52 0.00 2.90 3.11 0.00 0.00 6.12 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 0.00 142 I 7.47 4.39 1.90 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 1.21 0.68 0.94 0.00 0.00 143 V 8.25 4.38 2.14 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 0.96 0.00 0.00 1.05 0.00 0.00 144 L 9.47 4.57 0.00 1.74 1.64 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 145 Q 8.35 4.34 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.79 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 146 G 9.07 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 0.00 0.00 0.00 147 D 8.30 4.31 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 0.00 148 I 7.76 4.00 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.21 0.98 0.00 0.00 149 T 7.91 3.90 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 1.21 0.00 0.00 150 K 7.84 3.72 0.00 1.92 1.24 0.00 1.42 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.13 1.33 7.81 151 F 7.54 4.39 0.00 3.09 3.08 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 0.00 152 I 7.83 3.93 2.08 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 1.58 0.81 0.94 0.00 0.00 153 K 7.98 4.26 0.00 1.71 1.85 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.44 7.81 154 M 7.36 3.99 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 155 S 8.38 4.50 0.00 4.10 3.98 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 0.00 156 P 0.00 4.30 0.00 2.19 2.15 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 157 L 7.83 3.89 0.00 1.72 1.67 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 158 E 8.41 3.93 0.00 2.07 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 2.34 0.00 159 R 8.20 3.98 0.00 1.99 2.11 0.00 3.17 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 160 R 8.11 4.02 0.00 1.92 2.02 0.00 3.52 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 161 L 8.35 4.02 0.00 1.92 1.74 0.94 0.57 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 0.00 162 L 8.18 4.15 0.00 1.80 1.92 1.27 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 163 I 7.44 3.74 1.97 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 1.69 1.09 0.89 0.00 0.00 164 D 8.13 4.40 0.00 2.78 2.76 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 0.00 165 D 7.93 4.53 0.00 2.87 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 0.00 166 I 7.75 3.92 1.99 0.00 0.00 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 1.62 0.65 0.88 0.00 0.00 167 S 8.01 4.42 0.00 4.03 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 * Residues marked with a * may have inaccurate shift predictions.