NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3027 8.3301 115.3979 57.6861 65.3731 173.6421 3 A 4.1556 7.6442 125.0227 50.6488 19.3650 175.2150 4 L 4.5627 8.0406 116.5335 52.0985 46.0162 172.7323 5 P 4.6026 0.0000 0.0000 60.9620 32.2989 175.8097 6 P 4.4072 0.0000 0.0000 64.7532 31.5065 177.6280 7 V 3.7883 7.5411 118.4018 63.4737 32.0139 177.0205 8 Y 4.1509 8.0767 119.8973 58.7017 38.0929 176.2953 9 S 4.8165 7.8278 111.1876 58.2421 64.8391 173.8571 10 F 4.7844 8.3869 125.0411 56.2379 38.4351 174.3493 11 P 4.3831 0.0000 0.0000 65.2889 31.2905 177.0540 12 P 4.0196 0.0000 0.0000 65.5171 31.5386 177.5056 13 L 4.2107 8.1362 120.0325 58.3714 42.0254 178.4503 14 Y 4.9805 7.9235 114.4400 58.2580 37.3482 175.8027 15 T 4.4788 8.3007 117.2843 61.8370 72.0282 174.1973 16 R 2.6558 8.1971 126.8259 56.5058 30.4600 174.8043 17 Q 4.4572 7.3017 117.7916 54.4016 31.5818 172.0995 18 P 4.2072 0.0000 0.0000 65.7724 31.8038 177.7702 *22 T 4.3764 7.8186 107.2645 61.7359 70.4750 176.1011 23 R 3.6398 7.8373 122.4836 58.4610 29.8212 177.4890 24 R 3.9585 8.1677 117.4490 58.6731 30.1806 176.7925 25 Q 4.6708 8.6619 117.0675 55.4631 30.1812 177.2237 26 Q 4.0541 8.3339 122.5212 59.2288 29.0243 178.2512 27 I 3.7344 7.8479 120.4075 64.6043 36.9677 178.0335 28 S 4.2185 8.1882 115.4134 62.1636 62.5855 177.0012 29 T 3.8618 7.8937 117.9508 66.5092 68.1649 176.7304 30 W 4.1588 7.9942 120.4221 59.7166 29.0536 178.4288 31 I 3.7878 8.3552 120.1698 64.5424 36.6298 177.8014 32 D 4.2910 8.2080 118.4318 57.4709 40.8625 177.9661 33 I 3.6197 7.8282 119.1964 65.5318 37.4316 177.6005 34 I 3.8163 8.9776 121.4552 63.0153 36.7146 178.1728 35 S 4.1689 8.9742 114.3095 62.2267 62.2887 177.3701 36 Q 3.9598 8.6836 120.6344 59.4197 28.3682 176.9410 37 Y 4.4583 8.4934 122.0384 59.4531 38.6322 177.2395 38 C 3.3220 7.9023 116.4449 62.9654 28.4123 176.1478 39 K 2.0000 6.8171 119.4844 59.0189 31.8471 178.2033 40 T 3.8153 7.0706 108.8507 64.6304 68.6183 176.6530 41 K 4.0254 7.6643 119.7045 56.3177 32.7248 176.9466 42 K 3.6032 7.3176 115.2938 56.8516 30.4109 175.2032 43 I 3.8732 6.9291 120.0380 61.4046 37.6827 175.2049 44 W 5.0526 8.8009 121.5614 58.8858 31.9602 175.7365 45 Y 5.4759 7.9883 114.6292 58.4025 38.5753 174.4536 46 M 4.5188 9.4402 117.9787 54.7955 38.0065 177.0291 47 S 3.6864 8.4331 113.2670 59.1861 62.0888 170.2881 48 V 4.4390 7.8320 112.3362 64.8346 33.3881 177.5272 49 D 4.8555 8.1066 119.5588 54.3002 40.0072 176.3860 50 G 4.0229 8.2234 113.4533 41.6336 0.0000 172.8186 51 T 3.3078 8.5898 128.0358 62.6038 66.2950 171.8777 52 V 3.6387 8.1873 117.4708 62.1355 32.4960 177.0989 53 I 4.7060 7.9434 123.3318 60.7638 37.6118 175.9653 54 N 4.3342 8.0390 118.4675 56.0817 39.6761 175.0102 *74 N 4.8315 8.1794 115.9957 53.7071 40.4044 175.3374 75 L 4.5493 7.8378 115.0948 55.4375 42.6187 176.5484 76 F 5.0418 8.1145 115.1259 57.8753 40.1900 174.0504 77 N 5.2453 7.7818 118.8197 50.8174 39.2155 173.3777 78 N 4.6462 8.5996 126.1443 52.1619 38.7464 175.7468 79 E 3.9078 8.8157 125.9618 59.7240 30.0011 179.2470 80 D 4.4013 8.2901 116.7553 57.5150 40.8542 178.0682 81 I 3.9148 9.0933 118.0303 61.1528 37.9526 175.4556 82 Q 3.4463 7.6764 118.6522 56.4683 26.5136 173.4629 83 R 4.7309 7.6645 114.9584 55.0428 35.7346 176.2009 84 S 5.0950 8.3068 116.4367 56.9466 67.6814 173.4188 85 V 4.3233 8.4660 124.8410 62.2601 32.0162 176.1976 86 S 4.2629 8.7486 122.4124 58.1240 63.8861 174.6723 87 Q 3.8961 8.9508 124.0885 59.4857 28.5154 178.8163 88 V 3.5987 7.9306 118.6381 66.2796 31.3305 177.4974 89 F 5.1883 8.2005 121.1023 61.1401 39.2408 176.8311 90 I 2.7222 7.6969 119.6555 64.4723 36.8906 177.8905 91 D 4.6058 8.5048 119.6962 57.5193 40.6804 178.5875 92 E 4.0180 7.8864 118.9555 59.4612 29.4551 179.3478 93 I 3.3513 7.5554 120.0084 64.1910 37.0231 178.2077 94 W 4.3485 8.0783 119.9928 59.8236 28.8144 178.3525 95 S 4.2408 8.3283 113.9478 61.8636 62.1855 176.0529 96 Q 4.1914 8.1058 123.6160 59.1516 28.6851 178.5254 97 M 4.0758 8.4651 119.0420 58.6892 32.0842 178.4064 98 T 3.9849 8.5496 116.7216 66.3493 68.5443 176.5578 99 K 3.8909 8.7456 121.5107 59.8076 32.2880 178.1953 100 E 4.2420 8.3399 116.6967 56.9163 29.4431 177.7499 101 G 3.9463 8.0161 106.9772 46.1399 0.0000 174.6789 102 K 4.5531 8.4535 121.1647 57.6951 33.2411 176.1837 103 C 5.3245 7.9492 112.9818 56.4640 33.6240 173.0335 104 L 4.8268 9.0443 120.7123 52.6153 44.6823 173.7626 105 P 4.8437 0.0000 0.0000 62.8043 31.3161 175.1526 106 I 4.4014 7.8228 114.4806 61.8741 43.6359 173.7922 *121 Y 4.3573 7.5495 117.4190 57.6687 39.9158 173.3862 122 F 5.4185 9.2288 122.4973 57.6103 41.2864 174.9668 123 I 4.5238 9.7481 128.5519 59.3528 37.2334 176.5431 124 L 4.0774 7.8504 135.0000 53.2621 39.9582 178.0751 125 W 4.4879 7.6706 111.8187 54.5806 28.0498 176.8740 126 K 4.6684 7.7845 129.1953 56.1988 34.2319 174.1451 127 S 4.1010 7.9453 121.6222 59.2565 64.2743 175.5470 128 L 4.4015 8.5753 123.9453 58.0209 41.4085 179.2146 129 D 4.3093 8.1030 117.4428 57.1714 41.1693 177.5019 130 S 4.2140 7.9767 114.6503 60.4542 62.3332 176.1480 131 W 4.9946 8.5521 121.5790 60.1755 28.9764 177.8983 132 A 4.0071 8.9153 121.0512 55.5177 17.6943 179.4773 133 S 4.2687 8.1783 112.5499 62.2691 62.8153 176.6295 134 L 4.3542 8.2766 122.2995 57.8621 42.1133 178.9199 135 I 2.5071 8.2381 119.0317 64.1616 37.2248 177.5903 136 L 4.1636 8.7044 121.1794 58.6680 41.7573 179.1625 137 Q 4.2148 8.3388 118.3819 58.6073 28.9992 177.8564 138 W 3.4914 7.9014 129.3402 59.2360 31.2040 175.7294 139 F 4.0451 7.0096 123.1894 58.0061 37.4564 175.1907 *143 G 3.7591 8.2776 112.8353 44.9663 0.0000 172.3756 144 K 4.4062 7.3215 120.9109 54.6126 32.2297 175.8628 145 L 3.8996 8.2273 127.1230 56.1109 40.9075 177.8920 146 N 5.0904 9.4711 111.3514 51.4956 37.7444 171.5130 147 Q 4.5046 6.9438 118.1030 55.3254 32.1274 174.4130 148 V 4.3060 8.4825 120.5671 62.5523 32.1609 174.8402 149 I 4.8208 8.5478 128.6697 59.0711 41.0708 174.9355 150 T 4.6153 8.6003 118.8035 61.2513 69.6251 175.1298 151 L 4.0477 9.0172 124.7655 58.0918 41.5250 179.6075 152 Y 3.8752 7.9095 119.0116 60.6358 38.8112 177.0700 153 E 4.1308 8.1945 118.2928 58.6400 29.7017 178.2069 154 L 3.9913 7.2254 118.3709 56.4782 42.7290 177.2328 155 S 3.9922 7.8102 113.0087 56.4799 63.1973 174.0854 *161 V 4.1153 7.7413 132.1024 63.6670 32.9733 175.2578 162 N 4.7053 8.3355 112.6221 52.2892 39.2278 175.4921 163 W 4.8953 7.4415 130.3654 57.1029 28.2673 178.6382 164 E 4.7038 9.1285 124.4389 58.0252 30.8035 176.7838 165 F 4.2624 7.9399 112.0626 56.8263 38.1399 174.5605 166 H 3.8188 7.3292 121.5250 57.5761 29.9757 175.1391 167 R 3.5482 8.1995 123.8522 56.7434 28.5707 175.3823 168 M 2.5500 7.2726 115.9734 54.4316 31.5831 173.4957 169 P 3.8553 0.0000 0.0000 63.1370 31.4591 177.4177 170 E 3.5366 8.4959 124.2422 59.4217 29.6276 179.7779 171 S 4.3257 7.8125 110.7612 59.9170 63.1893 174.3107 172 L 4.4837 8.4362 119.7041 53.4262 43.7657 177.0157 173 L 4.1388 7.4442 120.0797 55.7604 41.7504 177.2951 174 Y 4.3102 7.7936 118.9434 61.0094 38.7091 176.6715 175 Y 3.8944 8.6466 116.9303 61.4697 38.1744 178.2862 176 C 4.3683 8.1302 115.8547 62.9809 28.4873 175.8158 177 L 4.1089 7.4519 120.0814 57.7125 40.8669 178.7988 178 K 3.5749 7.8585 118.3944 59.2254 31.8836 176.7696 179 P 4.4416 0.0000 0.0000 65.7004 30.7685 178.1396 180 L 4.1019 7.5800 116.8923 57.8200 41.7192 178.4982 181 C 4.2858 10.1001 117.7598 61.8493 28.2457 176.5647 182 D 4.2441 6.8449 119.3746 57.0843 41.6684 177.9126 183 R 4.3459 7.8034 119.5690 59.6752 28.5709 176.7993 184 N 3.6301 7.9171 113.1357 50.5048 38.0497 173.7025 *187 T 4.2180 8.1761 114.0360 60.4717 70.9676 173.5177 188 M 4.6984 8.5710 126.7575 52.7295 34.5538 176.3844 189 L 4.2903 8.3115 124.6856 54.3647 42.9879 177.4152 190 K 5.6050 8.8253 122.4886 54.5218 35.6021 173.1943 191 D 5.1397 7.8532 117.2611 51.6992 41.6899 176.0563 192 E 4.2146 8.7741 119.0125 58.1368 29.1602 177.2460 193 N 4.8680 9.3305 114.8151 53.1849 39.8828 175.3477 194 D 4.5556 8.3539 116.2884 54.4022 39.5705 174.2165 195 K 3.9545 7.5808 120.2287 56.0391 32.7767 175.7869 196 V 4.4864 8.0183 124.7769 61.9326 32.2383 175.4229 197 I 4.2863 8.0095 127.4090 62.4853 38.5995 174.9962 198 A 4.6890 7.5728 121.6912 52.0316 22.7454 174.2134 199 I 4.6042 8.1811 117.1794 60.2216 42.1423 173.5277 200 K 4.9449 8.3799 124.8798 53.4428 35.5991 176.2507 201 V 3.8015 7.5347 123.9803 63.1233 31.6954 174.6389 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 2 S 8.33 4.30 0.00 3.96 3.91 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 0.00 0.00 0.00 3 A 7.64 4.16 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 4 L 8.04 4.56 0.00 1.27 1.08 -0.43 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.60 0.00 2.09 1.86 0.00 3.43 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 6 P 0.00 4.41 0.00 2.13 2.15 0.00 3.69 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 1.92 1.90 0.00 7 V 7.54 3.79 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 0.63 0.00 0.00 0.77 0.00 0.00 8 Y 8.08 4.15 0.00 2.89 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 9 S 7.83 4.82 0.00 3.93 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 0.00 10 F 8.39 4.78 0.00 3.00 2.99 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 11 P 0.00 4.38 0.00 2.05 2.09 0.00 3.58 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 12 P 0.00 4.02 0.00 1.45 1.90 0.00 2.20 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.64 0.00 13 L 8.14 4.21 0.00 1.69 1.69 0.61 -0.40 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 14 Y 7.92 4.98 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 15 T 8.30 4.48 4.42 0.00 0.00 0.00 0.00 0.00 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 16 R 8.20 2.66 0.00 1.18 1.52 0.00 3.07 0.00 0.00 2.94 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 17 Q 7.30 4.46 0.00 2.05 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.83 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 18 P 0.00 4.21 0.00 2.05 2.08 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 *22 T 7.82 4.38 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 1.22 0.00 0.00 23 R 7.84 3.64 0.00 1.96 2.06 0.00 3.30 0.00 0.00 3.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.15 0.00 24 R 8.17 3.96 0.00 1.87 2.00 0.00 3.25 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 25 Q 8.66 4.67 0.00 2.30 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.56 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 26 Q 8.33 4.05 0.00 2.24 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 27 I 7.85 3.73 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.72 0.79 0.00 0.00 28 S 8.19 4.22 0.00 4.05 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 29 T 7.89 3.86 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 1.02 0.00 0.00 30 W 7.99 4.16 0.00 3.43 3.10 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 31 I 8.36 3.79 2.06 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 1.39 0.77 0.95 0.00 0.00 32 D 8.21 4.29 0.00 2.87 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 33 I 7.83 3.62 2.10 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.65 0.97 0.00 0.00 34 I 8.98 3.82 2.16 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.89 1.06 0.00 0.00 35 S 8.97 4.17 0.00 3.94 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 36 Q 8.68 3.96 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 37 Y 8.49 4.46 0.00 2.93 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 38 C 7.90 3.32 0.00 2.81 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 39 K 6.82 2.00 0.00 0.87 1.47 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.56 0.21 7.81 40 T 7.07 3.82 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 41 K 7.66 4.03 0.00 1.50 1.71 0.00 2.38 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.54 7.81 42 K 7.32 3.60 0.00 1.75 1.81 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.54 7.81 43 I 6.93 3.87 1.61 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.15 0.92 0.00 0.00 44 W 8.80 5.05 0.00 2.81 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 45 Y 7.99 5.48 0.00 3.00 2.91 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 0.00 0.00 0.00 46 M 9.44 4.52 0.00 2.31 2.40 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 2.60 2.51 0.00 47 S 8.43 3.69 0.00 4.17 3.92 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 48 V 7.83 4.44 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 1.32 0.00 0.00 0.86 0.00 0.00 49 D 8.11 4.86 0.00 2.99 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 50 G 8.22 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 0.00 0.00 0.00 51 T 8.59 3.31 4.32 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 1.27 0.00 0.00 52 V 8.19 3.64 2.15 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 0.85 0.00 0.00 1.08 0.00 0.00 53 I 7.94 4.71 1.99 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 1.36 0.92 1.09 0.00 0.00 54 N 8.04 4.33 0.00 2.68 2.87 0.00 0.00 7.18 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 *74 N 8.18 4.83 0.00 3.00 2.97 0.00 0.00 6.88 6.66 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 75 L 7.84 4.55 0.00 1.78 1.43 0.75 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 76 F 8.11 5.04 0.00 3.29 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 77 N 7.78 5.25 0.00 2.75 2.81 0.00 0.00 7.07 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 78 N 8.60 4.65 0.00 2.10 2.11 0.00 0.00 6.98 7.47 0.00 0.00 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 E 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0.00 0.00 0.00 0.00 0.00 7.10 6.84 0.00 0.00 0.00 0.00 0.00 2.49 2.75 0.00 88 V 7.93 3.60 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 1.00 0.00 0.00 0.95 0.00 0.00 89 F 8.20 5.19 0.00 2.91 2.91 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 0.00 0.00 0.00 90 I 7.70 2.72 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.28 0.64 0.00 0.00 91 D 8.50 4.61 0.00 2.90 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 92 E 7.89 4.02 0.00 2.27 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 0.00 2.41 2.65 0.00 93 I 7.56 3.35 1.21 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 -0.36 0.36 0.00 0.00 94 W 8.08 4.35 0.00 3.43 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 95 S 8.33 4.24 0.00 4.13 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 0.00 96 Q 8.11 4.19 0.00 2.29 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 97 M 8.47 4.08 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.79 0.00 98 T 8.55 3.98 4.45 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 1.33 0.00 0.00 99 K 8.75 3.89 0.00 1.69 2.07 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.53 7.81 100 E 8.34 4.24 0.00 2.14 2.02 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 2.37 2.54 0.00 101 G 8.02 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 0.00 0.00 0.00 102 K 8.45 4.55 0.00 1.83 1.93 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.57 7.81 103 C 7.95 5.32 0.00 3.14 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 0.00 104 L 9.04 4.83 0.00 1.77 1.70 1.12 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.84 0.00 2.20 2.15 0.00 3.91 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.40 0.00 106 I 7.82 4.40 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.39 1.01 0.00 0.00 *121 Y 7.55 4.36 0.00 2.68 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 0.00 122 F 9.23 5.42 0.00 3.01 3.04 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 0.00 123 I 9.75 4.52 2.16 0.00 0.00 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 1.52 1.17 1.16 0.00 0.00 124 L 7.85 4.08 0.00 1.41 1.70 0.73 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 125 W 7.67 4.49 0.00 3.48 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 0.00 126 K 7.78 4.67 0.00 1.15 0.74 0.00 0.90 0.00 0.00 0.61 0.00 0.00 2.26 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.30 0.55 7.81 127 S 7.95 4.10 0.00 4.05 3.96 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 0.00 128 L 8.58 4.40 0.00 1.87 1.93 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.10 4.31 0.00 2.73 2.67 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 0.00 130 S 7.98 4.21 0.00 3.73 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 W 8.55 4.99 0.00 3.42 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 0.00 132 A 8.92 4.01 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 0.00 133 S 8.18 4.27 0.00 4.03 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 0.00 134 L 8.28 4.35 0.00 1.95 2.25 1.48 1.73 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 C 8.13 4.37 0.00 2.87 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 0.00 177 L 7.45 4.11 0.00 1.90 1.69 0.96 0.65 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 0.00 178 K 7.86 3.57 0.00 1.88 1.66 0.00 1.28 0.00 0.00 1.38 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 0.89 7.81 179 P 0.00 4.44 0.00 2.27 2.36 0.00 4.05 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.99 0.00 180 L 7.58 4.10 0.00 1.90 1.83 1.08 1.48 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 0.00 181 C 10.10 4.29 0.00 3.07 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 0.00 182 D 6.84 4.24 0.00 2.96 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 R 7.80 4.35 0.00 1.73 1.87 0.00 3.32 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 184 N 7.92 3.63 0.00 2.79 2.98 0.00 0.00 6.82 8.19 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 *187 T 8.18 4.22 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 1.19 0.00 0.00 188 M 8.57 4.70 0.00 1.98 2.11 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 2.52 2.58 0.00 189 L 8.31 4.29 0.00 1.64 1.59 0.92 0.38 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 0.00 190 K 8.83 5.60 0.00 1.80 1.80 0.00 1.11 0.00 0.00 2.39 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.33 7.81 191 D 7.85 5.14 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 0.00 192 E 8.77 4.21 0.00 1.91 1.98 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 2.27 2.37 0.00 193 N 9.33 4.87 0.00 2.73 2.69 0.00 0.00 7.01 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 0.00 194 D 8.35 4.56 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 0.00 195 K 7.58 3.95 0.00 1.76 1.93 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.30 7.81 196 V 8.02 4.49 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 1.02 0.00 0.00 0.92 0.00 0.00 197 I 8.01 4.29 1.86 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 1.13 0.80 0.89 0.00 0.00 198 A 7.57 4.69 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 0.00 199 I 8.18 4.60 1.90 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 1.04 1.32 1.02 0.00 0.00 200 K 8.38 4.94 0.00 1.71 1.52 0.00 1.61 0.00 0.00 1.43 0.00 0.00 2.61 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.23 1.23 7.81 201 V 7.53 3.80 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 0.85 0.00 0.00 0.32 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.