NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7299 8.2127 109.7281 45.5343 0.0000 175.5776 *3 N 4.6092 8.0585 117.7872 53.6948 40.7793 175.8131 4 D 4.3815 8.0952 117.8752 57.6603 40.7062 178.5033 5 Y 4.5256 7.6417 116.6928 61.0811 37.8674 178.3170 6 L 4.0646 8.0211 119.4707 57.9522 41.9043 178.9607 7 N 4.3299 8.6773 116.8533 56.3228 38.2473 177.2095 8 F 4.1947 8.3278 120.8644 61.4266 39.7478 176.8105 9 L 3.8423 8.2901 118.7928 57.9450 41.2016 179.3666 10 D 4.4683 8.3367 118.0520 56.8988 40.7852 178.6820 11 G 3.7604 7.5101 104.9778 45.7291 0.0000 173.7719 12 R 3.8641 6.9061 122.0089 56.5434 30.1896 175.8958 13 V 4.5414 7.8138 123.3304 60.0620 34.3975 174.3054 14 S 4.4556 8.5128 117.6197 58.2319 63.1943 173.9392 15 V 4.2254 8.4256 125.5319 61.1341 32.9361 175.3074 16 R 4.2242 8.2899 123.6601 55.6036 31.7304 175.4586 17 R 4.3699 7.2704 117.8903 54.5825 31.8840 174.8688 18 F 5.4086 8.4289 122.0611 55.4084 42.5523 175.2680 19 D 4.7587 9.1061 121.6086 53.1641 41.3266 175.3076 20 P 5.0446 0.0000 0.0000 63.9729 31.7087 176.5104 21 D 4.6697 8.2941 117.7851 54.2266 41.5872 176.3472 22 A 4.2258 7.8050 123.3126 51.6162 19.0425 176.9367 23 V 4.1434 8.3213 122.7233 61.0658 32.9452 174.8373 24 L 4.5620 8.1587 128.4934 52.0125 42.3232 174.7479 25 P 4.4286 0.0000 0.0000 62.4956 33.3382 177.2455 26 N 4.4012 8.7786 120.3337 56.9522 38.4927 178.0863 27 D 4.3722 8.0744 122.3421 58.5220 39.6367 182.0837 28 L 3.9174 7.6259 118.9215 57.3473 41.7471 178.9556 29 I 3.8586 7.3450 119.0325 64.4156 37.2530 178.3107 30 K 4.2043 8.1462 119.1484 59.3664 31.8577 180.1997 31 D 4.6306 7.9366 117.2883 54.8302 40.8654 178.4646 *33 L 4.2532 7.9426 121.8084 54.9009 43.8517 179.0258 34 E 3.8122 8.4629 118.2923 59.7159 29.8610 178.4054 35 H 3.5318 8.1904 115.9779 58.4212 28.6959 177.6994 36 A 3.6473 7.6737 122.4682 54.7223 17.9140 179.3589 37 S 4.3287 7.6932 111.5396 61.0484 63.0798 175.4628 38 Y 4.7331 7.3364 118.7827 58.0541 38.0598 175.6284 39 A 4.1823 7.3909 123.8675 51.7463 19.0606 175.7809 40 P 4.8934 0.0000 0.0000 62.6166 32.8314 175.6684 41 S 4.9457 8.4561 112.1955 56.6171 65.9065 173.8277 42 G 3.9604 9.2720 111.4480 47.6256 0.0000 173.3663 43 N 4.2584 9.6679 120.4327 53.7350 36.2937 173.3990 44 N 4.3768 8.4765 113.2431 54.7234 37.9287 175.5381 45 F 4.5186 8.5944 116.5239 58.3659 39.4662 175.6926 46 Q 2.0000 7.8118 119.9065 55.7871 26.2723 172.4251 47 P 4.1489 0.0000 0.0000 62.5902 32.9232 177.6161 48 W 4.5635 6.1552 117.4759 56.7200 28.8921 175.9426 49 R 4.4901 8.6797 121.0907 54.3133 33.6648 174.4465 50 V 5.1301 8.2879 120.9693 61.2396 35.0843 174.4858 51 V 4.5039 9.1150 126.7466 61.1392 34.3074 174.0238 52 V 4.4654 8.4456 127.8319 61.1537 33.1469 174.6777 53 V 4.0927 8.6162 129.0737 61.5277 32.8559 174.3472 54 K 4.6049 8.1277 129.7593 53.2973 32.5405 172.8955 55 N 4.2733 8.9325 115.8631 51.0405 42.2091 175.2898 56 K 3.9896 8.4722 127.1308 59.4095 32.0859 178.8434 57 N 4.3229 8.2558 116.3444 56.5382 38.5265 177.4168 58 K 4.3182 8.6399 121.2395 59.0841 32.0711 179.4880 59 Q 4.0093 8.4557 118.6584 58.9473 28.7016 178.6725 60 E 3.9581 8.6181 120.0598 59.5323 29.2677 179.1373 61 D 4.2232 7.6199 117.4843 57.3447 41.1679 178.5904 62 L 3.9199 7.8175 119.5031 57.3991 41.5455 179.4308 63 K 3.9085 8.2664 120.1847 59.4517 31.9171 179.0313 64 K 4.0089 7.7641 117.3247 58.5886 32.1873 178.1972 65 L 4.5250 7.5562 117.3853 54.0247 41.9091 176.6498 66 A 4.6726 7.7356 122.6918 51.9673 19.5031 176.3583 67 A 3.5559 8.6827 118.2809 55.2596 16.1838 177.9061 68 L 3.7182 8.1275 114.2603 56.9559 39.7146 175.2116 69 Q 4.1628 7.9349 118.0874 55.0095 29.1387 175.9696 70 P 4.3580 0.0000 0.0000 65.6149 31.3082 178.4391 71 Q 4.3638 8.1260 118.4877 58.5752 28.1131 178.6962 72 V 3.6205 7.5681 119.4262 65.4784 31.6485 177.0799 73 A 4.3992 7.9101 118.6629 53.3017 19.1880 178.4434 74 T 4.2845 7.8856 106.9994 61.9697 69.6849 174.9699 75 A 3.8405 7.0822 124.0318 52.0399 18.9951 177.5645 76 S 4.4243 8.2552 116.5922 61.5913 63.4587 174.7615 77 A 4.6670 7.6789 118.4715 50.7638 22.7248 175.3959 78 V 4.5475 8.6340 120.3989 61.2117 33.8194 174.7033 79 F 4.7477 9.3022 128.3996 56.5965 39.8802 175.5568 80 L 4.5305 9.1537 125.7638 53.4020 43.2304 175.6482 81 L 5.0619 8.8107 125.3983 53.1209 43.7099 176.0670 82 F 5.2294 9.3808 122.3926 55.4931 43.2380 174.2819 83 G 4.1976 8.9604 107.1391 44.4186 0.0000 171.6954 84 D 5.2397 8.2753 123.9782 51.9289 42.5455 176.8102 85 E 3.9588 8.5106 125.1416 58.7838 29.8714 178.5271 86 N 4.4318 8.3991 116.1982 54.8282 38.6287 175.9919 87 A 3.6505 7.4573 121.3629 54.5962 18.9892 178.0024 88 Y 3.3331 6.7762 115.8087 56.6429 36.5416 175.2969 89 D 4.9863 7.6742 119.6263 52.5220 44.0273 175.7135 90 L 4.5104 8.7785 127.5768 57.9647 41.8106 179.4437 91 T 3.9575 8.2201 115.6061 66.3930 68.5392 175.8013 92 W 4.3684 10.0044 131.2734 60.5786 30.6674 177.5063 93 W 3.3743 8.8255 127.9402 60.5246 29.8919 177.8995 94 Q 4.0485 8.4101 117.5524 59.0364 28.1908 178.4955 95 E 3.8984 8.0878 119.4332 59.3646 29.6039 179.1694 96 F 3.7006 7.9009 120.6505 61.6517 39.2937 176.9168 97 H 3.7741 7.3705 115.3679 58.0162 28.3285 178.0809 98 V 3.7233 7.5443 121.8630 65.2344 31.2067 177.9171 99 Q 3.8453 7.9553 118.9323 58.8628 28.9522 176.9546 100 K 3.8776 7.4288 114.7617 56.3428 32.1644 177.4740 101 G 3.7811 7.8520 109.5195 46.8998 0.0000 175.8268 102 I 3.9010 7.5739 120.2662 61.9494 35.3992 179.5317 103 I 4.4974 7.0998 113.6309 59.1726 40.2486 174.8282 104 T 4.1191 8.3259 119.2111 63.0880 70.5021 177.3779 105 K 4.2471 8.6297 128.8385 61.3183 31.8825 181.0602 106 D 4.7104 8.1921 124.6818 58.8215 39.7477 180.7198 107 E 4.2686 8.2333 118.7931 60.7558 29.7178 181.3593 108 A 4.4550 8.1146 120.6103 55.4370 18.4651 179.5712 109 A 4.2819 8.2376 120.0028 54.7098 18.2711 179.7545 110 A 4.0074 8.1780 121.6045 55.9707 18.3986 180.7846 111 R 3.8245 8.3358 119.1313 61.4131 29.4809 180.4613 112 A 3.8539 8.4956 122.1690 55.1312 18.2932 179.4486 113 E 3.9563 8.0036 117.2754 59.4208 29.7034 179.2834 114 R 3.9155 7.7323 118.3183 59.0468 30.0300 179.0842 115 I 3.4733 7.7791 120.0852 64.1883 37.0740 178.3275 116 R 4.0704 8.5032 122.4525 60.2174 29.7706 179.1300 117 Q 4.0283 8.2424 120.4803 60.3559 28.0493 179.8708 118 Y 4.1268 7.9892 121.6229 60.6496 38.4848 178.2343 119 F 4.5086 8.2243 118.5330 60.4706 38.6669 177.4384 120 D 4.3564 7.9026 118.2649 57.2018 40.6380 178.4284 121 L 4.0476 7.3565 118.4938 56.6185 43.2998 177.3988 122 H 4.9702 7.7143 115.2510 51.8950 28.8695 172.5108 123 P 4.4583 0.0000 0.0000 64.4960 32.1276 179.5417 124 E 3.9811 8.1253 117.7541 59.2673 29.2773 178.2140 125 D 4.6776 8.2485 119.0856 55.4242 40.6467 177.3712 126 K 2.9858 7.1374 118.2034 57.3851 33.4258 175.5215 127 E 5.0517 7.8885 120.9305 55.3541 32.6120 176.0822 128 T 4.0021 8.5903 114.5272 67.7881 68.2632 176.2608 129 Q 4.1122 8.1372 119.6164 58.9166 28.7072 179.0661 130 G 3.8465 7.8965 107.5288 47.2167 0.0000 175.5860 131 L 4.1137 8.0719 121.6567 57.6700 41.6674 179.7789 132 R 3.9645 8.3063 118.2025 59.1373 29.9553 178.9253 133 L 3.9590 7.7606 120.0016 58.3369 42.3266 178.6609 134 D 4.5764 8.4334 118.9575 57.6842 40.8199 179.0877 135 V 4.1294 8.6130 118.9495 65.4503 31.2798 178.3200 136 G 3.6606 7.9227 105.2775 47.6363 0.0000 175.3510 137 L 4.1811 8.0178 120.5480 57.5248 41.9513 178.9654 138 F 3.8302 8.0947 119.7763 61.0396 38.9397 177.6484 139 A 3.9686 7.9743 115.6913 52.9856 18.1768 177.5630 *141 N 4.8388 8.0199 119.9556 55.0663 40.6317 177.4919 142 L 3.8324 7.4184 118.8970 55.2873 41.3896 178.6673 *144 Q 4.0877 8.2791 117.1227 55.4336 30.7357 177.8001 145 V 3.6577 7.9745 117.2274 66.2362 31.3184 178.5043 146 V 3.8536 8.0876 112.1572 64.3403 31.2965 178.6741 147 R 4.4310 7.7817 118.9017 58.7394 29.6195 179.0395 148 V 3.6116 7.6866 116.9981 65.6782 31.4583 176.1570 149 Y 4.4999 7.9065 113.1304 57.8118 38.0373 176.0751 150 G 3.8704 8.4398 108.3000 45.5195 0.0000 172.9763 151 Y 4.7392 7.8513 117.3031 56.5917 41.2029 173.8169 152 D 5.0823 9.3150 120.0283 53.5596 46.3666 174.1992 153 S 5.6579 8.6810 112.7250 58.4495 66.7582 173.4756 154 V 4.7856 8.1660 119.2584 59.8183 33.6072 173.3763 155 P 4.5622 0.0000 0.0000 62.1769 32.7040 176.4011 *157 R 4.3713 8.5705 116.9145 55.8588 32.1984 176.6259 158 G 3.8925 7.7593 108.4315 44.5647 0.0000 172.4244 159 V 4.3381 6.6571 110.0433 59.1075 36.5460 176.5977 160 D 4.6147 8.6343 121.4778 53.0494 39.6814 176.4439 161 F 4.4742 8.2541 124.5863 60.0180 39.2652 176.5537 162 D 4.4459 8.3870 118.1179 57.5122 40.6424 178.5675 163 A 4.1320 8.1646 121.0242 54.9258 18.3547 179.8286 164 I 3.7784 8.0089 118.4850 64.6373 37.1440 178.5614 165 K 4.0868 8.5551 119.6096 60.1522 31.6863 179.5352 166 T 3.9399 7.7211 114.3249 66.7077 68.5039 176.0501 167 Y 4.2176 8.5337 121.7860 59.6774 38.6085 176.8511 168 L 4.5593 7.8730 116.9382 52.3039 42.4960 173.0231 169 D 4.0253 7.2551 125.4638 53.3839 40.5864 171.5201 *171 P 3.8478 0.0000 0.0000 62.5084 32.4413 178.3729 172 N 4.4556 8.4826 117.6202 55.2472 37.7224 177.6935 173 G 3.8283 7.9671 105.3516 46.6468 0.0000 172.3614 174 W 5.2820 7.5553 119.9235 55.5517 30.2315 175.6417 175 E 4.7347 9.3173 126.1834 54.1071 30.7360 174.0070 176 P 4.0958 0.0000 0.0000 63.1704 31.4380 175.5254 177 I 4.0626 8.0181 124.5003 62.6824 39.0081 174.8812 178 L 4.1416 6.9217 122.8774 54.5659 46.1043 173.7183 *180 L 4.6489 8.5451 116.4347 54.3628 43.1655 174.7972 181 P 4.8150 0.0000 0.0000 62.3728 32.9006 175.2249 182 V 4.6064 8.4823 123.6940 61.3001 34.9950 174.7747 183 G 4.0464 8.2322 112.6497 45.9446 0.0000 171.5170 184 K 4.8063 8.4296 119.0255 54.9671 33.4939 176.7572 185 A 4.4890 8.7941 127.6263 52.4192 18.3845 177.0593 186 L 4.4688 9.1269 124.6892 55.9828 42.9943 177.8887 187 Q 4.4693 7.7426 115.6655 52.5453 31.8828 180.0033 188 A 4.1912 8.4456 124.7986 51.0838 19.1172 177.5047 189 G 3.8318 8.1804 109.1917 44.9797 0.0000 173.1391 190 N 4.6956 8.1336 116.4763 51.1816 39.7219 173.9366 191 P 4.2646 0.0000 0.0000 62.9543 31.9996 176.1939 192 H 4.3053 8.5513 119.0734 55.7068 29.2188 175.0094 193 V 4.3247 8.3081 123.9867 61.1964 32.5982 174.9041 194 R 4.7546 8.1584 124.6998 54.0948 34.2075 175.1266 195 K 4.1943 8.4718 119.6996 56.3849 32.9176 177.4945 196 S 4.4743 8.7618 116.4579 57.7293 64.2959 175.2577 197 V 2.6512 8.5033 120.8058 65.8875 31.1642 178.1308 198 A 3.9761 7.7303 120.2868 54.4572 18.3163 177.8294 199 E 4.3169 7.9269 114.3404 57.5036 29.8312 177.0987 200 F 4.9631 7.5153 110.1235 55.6167 39.4935 174.3626 201 A 4.7062 7.6658 123.4850 50.2037 21.8423 174.8623 202 E 4.6188 8.5595 120.3947 54.1953 32.6157 174.9931 203 I 4.4100 8.3197 125.8173 59.4825 39.2585 174.8435 204 I 4.4110 8.3507 126.1094 59.5625 38.8374 175.5107 205 E 4.2783 8.7285 123.9494 56.4455 29.7461 175.8625 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 0 G 8.21 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 *3 N 8.06 4.61 0.00 2.82 2.98 0.00 0.00 7.25 8.49 0.00 0.00 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 D 8.10 4.38 0.00 2.42 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 0.00 0.00 0.00 0.00 5 Y 7.64 4.53 0.00 3.02 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 6 L 8.02 4.06 0.00 1.91 1.76 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.68 4.33 0.00 2.94 2.93 0.00 0.00 6.70 7.98 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 8 F 8.33 4.19 0.00 3.06 3.42 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 0.00 9 L 8.29 3.84 0.00 1.85 1.66 0.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.34 4.47 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 11 G 7.51 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 12 R 6.91 3.86 0.00 1.55 1.78 0.00 3.37 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 13 V 7.81 4.54 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 0.73 0.00 0.00 0.89 0.00 0.00 14 S 8.51 4.46 0.00 3.87 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 15 V 8.43 4.23 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 0.29 0.00 0.00 0.89 0.00 0.00 16 R 8.29 4.22 0.00 1.68 1.81 0.00 3.16 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 17 R 7.27 4.37 0.00 1.54 1.76 0.00 3.20 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 18 F 8.43 5.41 0.00 2.97 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 19 D 9.11 4.76 0.00 2.78 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 20 P 0.00 5.04 0.00 2.25 2.21 0.00 3.45 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 21 D 8.29 4.67 0.00 2.85 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 22 A 7.80 4.23 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 23 V 8.32 4.14 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 0.83 0.00 0.00 0.96 0.00 0.00 24 L 8.16 4.56 0.00 1.45 1.47 0.10 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.43 0.00 2.16 1.94 0.00 3.63 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 26 N 8.78 4.40 0.00 2.77 2.83 0.00 0.00 7.07 8.08 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 27 D 8.07 4.37 0.00 2.68 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 28 L 7.63 3.92 0.00 1.49 1.24 0.90 0.67 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 29 I 7.35 3.86 1.94 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 1.47 0.51 0.79 0.00 0.00 30 K 8.15 4.20 0.00 1.93 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.59 7.81 31 D 7.94 4.63 0.00 2.64 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 *33 L 7.94 4.25 0.00 1.93 1.88 1.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.46 3.81 0.00 1.99 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 2.01 2.29 0.00 35 H 8.19 3.53 0.00 3.16 3.27 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.67 3.65 0.47 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 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.69 4.33 0.00 4.44 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 0.00 38 Y 7.34 4.73 0.00 3.12 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0.00 8.07 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 47 P 0.00 4.15 0.00 1.60 1.34 0.00 3.00 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.00 0.00 48 W 6.16 4.56 0.00 2.55 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 49 R 8.68 4.49 0.00 0.67 0.66 0.00 2.83 0.00 0.00 2.69 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.50 0.00 50 V 8.29 5.13 2.19 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 1.00 0.00 0.00 1.01 0.00 0.00 51 V 9.11 4.50 2.41 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 1.05 0.00 0.00 1.18 0.00 0.00 52 V 8.45 4.47 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 0.13 0.00 0.00 0.46 0.00 0.00 53 V 8.62 4.09 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 1.00 0.00 0.00 1.01 0.00 0.00 54 K 8.13 4.60 0.00 1.65 1.59 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 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3.96 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 114 R 7.73 3.92 0.00 2.01 1.90 0.00 3.30 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 115 I 7.78 3.47 1.77 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 1.11 0.27 0.79 0.00 0.00 116 R 8.50 4.07 0.00 1.96 2.14 0.00 3.32 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 117 Q 8.24 4.03 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 118 Y 7.99 4.13 0.00 2.99 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 0.00 119 F 8.22 4.51 0.00 3.10 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 0.00 120 D 7.90 4.36 0.00 2.83 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 0.00 121 L 7.36 4.05 0.00 1.31 1.23 0.90 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 122 H 7.71 4.97 0.00 2.51 3.30 0.00 5.83 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.46 0.00 2.14 2.24 0.00 3.83 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.85 0.00 124 E 8.13 3.98 0.00 2.34 2.24 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 2.38 2.36 0.00 125 D 8.25 4.68 0.00 3.23 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 0.00 126 K 7.14 2.99 0.00 1.06 0.74 0.00 1.18 0.00 0.00 1.06 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.81 1.07 7.81 127 E 7.89 5.05 0.00 2.05 1.85 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 2.11 2.22 0.00 128 T 8.59 4.00 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 1.27 0.00 0.00 129 Q 8.14 4.11 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 130 G 7.90 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 0.00 131 L 8.07 4.11 0.00 1.90 1.75 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.31 3.96 0.00 2.00 2.01 0.00 3.30 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 133 L 7.76 3.96 0.00 1.78 1.90 0.98 1.32 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 0.00 134 D 8.43 4.58 0.00 2.98 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 0.00 135 V 8.61 4.13 2.22 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 1.12 0.00 0.00 1.03 0.00 0.00 136 G 7.92 3.66 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 0.00 137 L 8.02 4.18 0.00 1.98 1.84 1.11 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.09 3.83 0.00 2.18 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.97 3.97 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 *141 N 8.02 4.84 0.00 2.76 2.61 0.00 0.00 7.31 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 0.00 142 L 7.42 3.83 0.00 1.10 1.43 0.54 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 *144 Q 8.28 4.09 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.66 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 145 V 7.97 3.66 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 1.13 0.00 0.00 0.92 0.00 0.00 146 V 8.09 3.85 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 0.77 0.00 0.00 0.91 0.00 0.00 147 R 7.78 4.43 0.00 2.11 2.06 0.00 3.57 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.42 0.00 148 V 7.69 3.61 1.85 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 0.25 0.00 0.00 0.82 0.00 0.00 149 Y 7.91 4.50 0.00 3.25 3.17 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 0.00 150 G 8.44 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 0.00 0.00 0.00 151 Y 7.85 4.74 0.00 3.17 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 0.00 152 D 9.32 5.08 0.00 2.76 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 0.00 153 S 8.68 5.66 0.00 3.96 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 0.00 154 V 8.17 4.79 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 0.94 0.00 0.00 0.95 0.00 0.00 155 P 0.00 4.56 0.00 2.12 2.13 0.00 3.81 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 1.99 1.99 0.00 *157 R 8.57 4.37 0.00 1.94 2.25 0.00 3.42 0.00 0.00 3.30 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.76 0.00 158 G 7.76 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 0.00 159 V 6.66 4.34 1.86 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 0.51 0.00 0.00 -0.26 0.00 0.00 160 D 8.63 4.61 0.00 2.60 2.52 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 0.00 0.00 0.00 0.00 161 F 8.25 4.47 0.00 3.16 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 0.00 162 D 8.39 4.45 0.00 2.92 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 0.00 163 A 8.16 4.13 1.40 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 0.00 0.00 164 I 8.01 3.78 2.22 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 1.54 0.97 1.15 0.00 0.00 165 K 8.56 4.09 0.00 2.04 1.95 0.00 1.87 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.80 1.93 7.81 166 T 7.72 3.94 4.47 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 0.00 0.00 0.00 1.24 0.00 0.00 167 Y 8.53 4.22 0.00 3.16 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 0.00 168 L 7.87 4.56 0.00 1.75 1.70 1.13 1.05 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 0.00 169 D 7.26 4.03 0.00 2.66 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 *171 P 0.00 3.85 0.00 1.03 1.42 0.00 2.20 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.27 0.00 172 N 8.48 4.46 0.00 2.74 2.73 0.00 0.00 6.69 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 G 7.97 3.83 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 0.00 0.00 0.00 174 W 7.56 5.28 0.00 3.16 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 0.00 175 E 9.32 4.73 0.00 1.90 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 2.32 2.30 0.00 176 P 0.00 4.10 0.00 0.49 1.64 0.00 3.72 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.03 0.00 177 I 8.02 4.06 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 1.20 0.87 0.90 0.00 0.00 178 L 6.92 4.14 0.00 1.72 1.47 0.98 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 *180 L 8.55 4.65 0.00 1.87 1.79 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 181 P 0.00 4.82 0.00 2.28 2.00 0.00 3.93 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 182 V 8.48 4.61 2.19 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 0.89 0.00 0.00 0.58 0.00 0.00 183 G 8.23 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 0.00 0.00 0.00 184 K 8.43 4.81 0.00 1.73 1.71 0.00 1.17 0.00 0.00 0.75 0.00 0.00 2.75 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.27 7.81 185 A 8.79 4.49 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 L 9.13 4.47 0.00 1.47 1.71 1.00 0.76 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 0.00 187 Q 7.74 4.47 0.00 2.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.16 1.89 0.00 188 A 8.45 4.19 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 0.00 189 G 8.18 3.83 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 0.00 0.00 0.00 190 N 8.13 4.70 0.00 2.68 2.71 0.00 0.00 6.91 8.02 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 0.00 191 P 0.00 4.26 0.00 2.02 1.97 0.00 3.64 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 2.01 2.09 0.00 192 H 8.55 4.31 0.00 3.15 3.21 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 V 8.31 4.32 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 0.83 0.00 0.00 0.99 0.00 0.00 194 R 8.16 4.75 0.00 1.81 1.78 0.00 3.37 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 1.54 1.57 0.00 195 K 8.47 4.19 0.00 1.86 1.89 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.46 7.81 196 S 8.76 4.47 0.00 4.00 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 0.00 197 V 8.50 2.65 1.94 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 0.64 0.00 0.00 0.91 0.00 0.00 198 A 7.73 3.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 E 7.93 4.32 0.00 2.25 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 2.35 2.26 0.00 200 F 7.52 4.96 0.00 3.05 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 0.00 201 A 7.67 4.71 0.81 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 0.00 202 E 8.56 4.62 0.00 1.86 1.77 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 2.16 2.27 0.00 203 I 8.32 4.41 1.85 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 1.39 0.73 0.90 0.00 0.00 204 I 8.35 4.41 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.58 0.91 0.00 0.00 205 E 8.73 4.28 0.00 1.92 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 2.20 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.