NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 P 4.5504 0.0000 0.0000 62.4932 33.9083 177.3015 19 R 4.4874 7.6078 118.0737 54.5329 33.7869 176.4611 20 N 4.7860 9.0032 123.4711 52.9766 40.2043 173.3275 21 I 4.6887 8.4473 126.4538 60.3684 41.8330 175.1798 22 S 4.5473 8.7473 124.3714 58.0618 63.3517 177.2807 23 R 4.0923 8.6111 122.4621 62.1965 28.8129 180.1272 24 E 4.3107 8.2408 121.0766 59.4747 29.4677 179.4719 25 E 4.2316 8.2865 119.5825 61.0388 30.0460 183.1574 26 S 4.6623 7.9282 119.6714 64.1240 62.5535 181.7899 27 L 4.2430 8.3314 123.9394 56.7422 40.7953 180.4382 28 Q 4.6186 7.6656 115.0230 55.8098 28.4469 181.5316 29 L 4.4063 7.8880 121.4380 55.0963 41.7372 181.3703 30 E 4.4210 8.6238 118.1317 55.1743 31.6048 178.6382 31 G 3.5950 8.9598 109.3054 46.1421 0.0000 173.1135 *32 Y 3.5186 8.6405 125.7001 57.3668 36.0745 168.6759 33 K 4.9010 8.5578 127.2862 54.0449 35.1302 174.8082 *34 H 5.4561 8.8946 122.0850 53.3840 30.3061 172.5195 35 A 5.2226 9.2745 123.7137 49.7194 22.8617 174.7273 36 C 5.4345 9.2938 118.1679 58.4409 31.9263 173.1356 37 H 5.5675 9.5537 119.4058 54.0673 33.2014 172.2294 38 A 4.8351 8.7121 121.5861 50.1052 22.1135 175.4270 39 L 4.4136 8.2615 125.0629 54.0298 43.5662 175.1675 40 L 5.2829 8.5677 126.8270 53.5826 44.0726 175.3165 41 H 5.9883 8.9945 116.8253 54.8036 32.5749 172.0581 42 A 5.0503 8.3031 119.6400 49.9387 22.5206 174.0924 43 P 4.7449 0.0000 0.0000 63.1059 32.6352 175.6864 44 S 4.6141 8.6644 115.0649 57.3714 65.3533 173.8429 45 Q 4.3428 8.8350 124.2758 55.8640 29.3693 175.7415 46 A 4.2907 7.8541 121.3011 51.8485 19.8904 176.9499 47 K 4.9137 8.2223 118.4247 54.1211 35.3766 176.1262 48 L 3.5681 8.8219 128.6394 55.6194 42.8775 176.9125 49 F 4.1341 8.9006 123.4196 58.8674 36.7457 175.4427 50 D 5.0363 8.4184 114.7615 55.1490 38.6613 174.3123 51 R 4.2553 7.6512 117.1474 57.3877 32.3630 175.4387 52 V 4.0801 7.9635 120.4920 60.1338 31.6637 173.1630 53 P 4.7192 0.0000 0.0000 62.7172 31.6806 176.9502 54 I 3.8856 8.3179 124.6829 62.8839 37.3591 176.6313 55 R 4.2618 8.6712 122.4168 56.1580 28.3383 175.3006 56 R 5.0177 7.3718 115.7719 54.9754 33.7020 173.5403 57 V 4.2262 9.1268 125.9688 61.6316 33.3565 174.3864 58 L 5.2691 8.4083 127.6220 52.9395 44.4534 175.5451 59 L 4.9451 8.7044 124.7522 54.8494 42.8634 176.2901 60 M 5.0683 8.8739 121.6098 54.8759 37.0811 173.4404 61 M 5.1586 8.5383 114.7296 54.9674 35.4184 173.4094 62 M 4.6464 8.9191 120.7933 54.6723 33.6600 175.9476 63 R 4.8525 9.0720 126.0067 55.0716 31.5364 177.5896 64 F 4.0962 8.8749 116.6848 59.9409 37.6054 176.0753 65 D 4.2319 6.5971 118.0177 52.8536 39.3590 177.1253 66 G 3.8019 8.1701 108.5489 45.5188 0.0000 173.6030 67 R 4.5743 7.6564 118.5270 54.2734 33.1766 175.5005 68 L 4.8906 7.9960 121.1962 53.9895 43.5945 176.3950 69 G 4.0650 7.9236 107.2340 46.0784 0.0000 171.7994 70 F 5.4115 8.6553 118.4347 55.3837 40.7637 174.7894 71 P 4.5763 0.0000 0.0000 63.3332 32.6062 176.7804 72 G 3.8640 8.5216 107.9152 46.7129 0.0000 172.7558 73 G 3.7922 7.4612 107.8922 46.1350 0.0000 171.3488 74 F 4.8564 8.5655 123.3090 58.2251 41.0025 173.8942 75 V 4.2379 8.2624 129.5451 61.5155 29.5892 177.9847 *78 R 4.5392 8.8438 119.6632 57.1201 32.2608 177.1088 79 D 5.0682 7.7368 124.9349 55.6182 38.9571 177.5231 80 I 4.0232 7.7039 124.9192 60.5177 36.1352 174.5696 81 S 4.6537 7.3274 110.7358 56.4705 66.5677 177.3310 82 L 3.9264 8.1451 123.3923 58.3562 41.4110 179.8046 83 E 3.8267 8.1067 117.7890 59.2910 29.4596 178.9041 84 E 4.0288 7.9075 119.2564 59.0002 29.6488 179.0882 85 G 3.5261 8.2841 106.0635 47.6565 0.0000 175.2981 86 L 3.8910 7.7101 125.2307 58.3172 41.9957 179.7948 87 K 3.9539 8.0201 125.9265 60.4399 31.6491 181.5620 88 R 4.1411 7.8457 122.1178 61.3916 29.3023 180.6015 89 E 4.1962 8.3351 119.8195 59.1969 29.4803 179.4991 90 L 3.9960 8.3505 119.4744 57.6614 41.5963 179.2874 91 E 4.1899 8.2588 120.6421 58.9108 29.6524 178.7329 92 E 3.9749 8.3427 118.6160 59.0712 29.2541 178.7410 93 E 4.2872 8.2630 117.1111 57.5370 30.6578 177.5747 94 L 4.5792 8.2971 117.9882 54.4565 42.9203 174.9570 95 G 4.1193 8.0815 104.0136 43.4589 0.0000 172.3207 96 P 4.2852 0.0000 0.0000 65.2173 30.7602 177.9858 97 A 3.9962 8.0548 120.7937 55.3151 18.2053 179.2728 98 L 3.9757 8.0095 116.5065 57.6789 41.4276 179.1113 99 A 4.0015 7.6035 120.2725 54.9688 18.2288 178.8692 100 T 4.3055 7.4854 108.1002 62.5886 69.7593 176.6060 101 V 3.7019 7.3873 122.4684 61.2471 32.1963 181.5319 102 E 3.9979 9.1903 124.3906 58.9900 30.1648 175.7176 103 V 3.4101 7.5640 115.0313 62.3878 28.5344 174.4426 104 T 4.7434 7.9096 116.7912 58.8548 71.6246 176.6466 105 E 4.7164 8.5941 115.6553 60.8992 29.5121 179.2820 106 D 4.5132 8.1919 117.1696 56.5314 41.1320 176.4845 107 D 4.7701 8.0148 118.0051 53.9756 41.5408 175.8107 108 Y 3.3367 7.5616 121.1181 57.4688 39.4554 174.6169 109 R 4.2616 6.6161 122.4530 57.2213 33.2930 175.1326 110 S 4.3738 6.7374 110.3468 57.7620 66.8155 172.9051 111 S 5.1414 8.4688 117.0979 57.9968 67.1531 174.2899 112 Q 5.1535 9.0493 124.2596 53.7358 32.5682 172.0003 113 V 4.7286 9.2879 122.3040 62.4974 34.3591 175.5794 114 R 4.9106 8.7298 127.8681 55.4795 32.8398 173.4895 115 E 4.5223 8.5866 115.9285 59.1262 32.6656 176.3052 *116 H 4.6480 8.3195 117.0312 54.8771 28.7015 179.3611 117 P 5.0257 0.0000 0.0000 62.6025 32.0510 176.1839 118 Q 3.7818 8.1300 127.1512 54.4925 28.8203 175.7471 119 K 4.1753 8.5729 124.0996 55.8117 32.8913 173.9319 120 C 5.2595 9.0591 125.6856 56.6288 35.3433 172.7235 121 V 5.3843 8.9348 126.0360 60.6222 33.6164 174.0578 122 T 4.9092 8.4443 118.8500 60.8175 71.0433 173.1203 123 H 5.4303 9.7151 123.8664 54.1297 31.3413 173.1563 124 F 5.5114 9.1111 126.7807 57.0387 41.2951 174.0890 125 Y 4.7366 8.1492 122.4770 56.0668 41.8297 174.5664 126 I 4.7820 8.3026 122.5026 59.3861 40.7470 174.9265 127 K 4.5483 9.0544 127.8551 54.5696 35.4871 174.4218 128 E 4.3526 8.8835 128.6854 55.6189 30.5200 175.1327 129 L 4.8715 8.8122 129.0145 53.2255 45.4896 176.6151 130 K 4.3595 8.7043 120.7778 53.7218 32.9310 174.5316 131 L 4.0101 8.6547 122.8671 58.4671 41.8760 179.3601 132 E 4.2036 8.2044 116.8777 59.5313 29.3251 178.8571 133 E 3.9354 8.0139 118.8528 59.3588 29.6333 179.1615 134 I 3.7243 7.7037 119.7247 64.3019 37.0489 178.3802 135 E 4.0065 8.6963 122.2353 60.2511 29.3770 180.1740 136 R 3.9457 8.3479 120.9500 61.4583 29.2877 180.6927 137 I 3.8428 7.8498 119.9195 64.4377 36.9505 177.9468 138 E 3.9361 8.0251 117.7517 59.8532 29.4911 179.3457 139 A 4.1127 8.0588 118.8649 54.6176 18.7329 178.5874 140 E 4.3433 8.1858 115.2074 56.9454 30.2772 177.8891 141 A 4.7204 8.0028 122.9091 54.5944 18.0826 179.6178 142 V 3.4235 7.6650 108.6314 63.1069 31.8377 177.0116 143 N 4.7448 8.2112 114.9586 51.9694 38.8861 175.0440 144 A 4.2032 7.1899 124.7172 51.5969 19.2414 178.6928 145 K 3.8741 8.7185 121.2979 59.5941 32.3446 177.6545 146 D 5.1664 8.2079 115.8542 54.0178 41.5620 175.7777 147 H 4.4309 7.8433 120.9736 57.5351 30.0642 176.0171 148 G 3.9052 9.3400 115.1517 45.4443 0.0000 173.0665 149 L 4.4481 7.6817 115.8071 55.0036 43.0461 177.5411 150 E 4.1584 9.4061 128.1229 59.0281 31.7826 177.5395 151 V 4.5955 8.3902 120.6116 61.6040 33.2128 176.0533 152 M 4.3645 10.1380 128.0508 54.9440 32.8119 176.3124 153 G 4.3898 7.6227 111.9131 44.5784 0.0000 171.7370 154 L 4.9968 7.8907 122.5311 53.9189 43.1219 176.1380 155 I 4.7847 8.7153 114.5118 59.3939 41.4678 174.0874 156 R 4.9988 8.4184 121.9600 54.7915 31.8894 176.2121 157 V 3.1061 8.1018 124.1052 61.1686 32.0217 174.0349 158 P 3.8668 0.0000 0.0000 62.5913 31.5082 176.2135 159 L 4.1430 7.8494 122.7000 55.3960 42.5820 176.2383 160 Y 4.6626 6.3995 117.0376 56.4270 40.3928 174.2702 161 T 5.1424 8.3639 115.9978 61.8232 71.3342 174.5327 162 L 4.4102 9.1549 126.8536 53.9007 43.1234 178.1559 163 R 3.9441 8.8599 118.9807 59.7903 28.8271 178.1363 164 D 4.4147 8.0715 115.2728 54.1048 39.5818 177.3486 165 R 4.0641 8.4014 118.3350 57.0027 28.3682 176.4132 166 V 4.2370 7.9211 117.5705 64.3169 33.8228 176.2897 167 G 4.0010 9.2283 109.6171 46.9532 0.0000 171.6255 168 G 4.6301 8.7215 106.8062 43.5412 0.0000 175.6521 169 L 3.9930 9.2658 123.4338 57.6801 41.6161 177.0381 170 P 4.2630 0.0000 0.0000 65.6770 31.4450 178.1289 171 A 4.1682 8.0912 118.3373 55.1039 18.3326 179.0195 172 F 4.2427 8.4268 118.8377 61.0608 40.4006 177.1203 173 L 4.2775 7.8168 119.0856 53.6310 39.1684 175.4785 *175 N 4.2154 7.3498 115.2353 52.9074 40.2620 174.0284 176 N 4.6012 7.9258 117.7451 53.0038 39.8373 173.3491 177 F 4.9838 8.6161 125.3817 55.5154 40.8828 176.0042 178 I 3.7652 8.8861 124.5525 60.4395 39.3581 174.9462 179 G 3.9768 8.5163 116.1672 47.3373 0.0000 173.1842 180 N 4.5459 9.0826 124.1589 53.6333 38.5806 176.0533 181 S 4.5004 8.1441 114.4165 61.1758 62.7377 176.4166 182 K 3.3537 7.8190 122.8064 59.1743 31.9941 178.2369 183 S 3.9851 7.9391 112.8837 61.7330 61.8044 176.0440 184 Q 3.4663 7.8267 120.3414 58.5484 28.2607 178.6333 185 L 4.2683 8.1619 121.5433 58.4095 42.0932 179.0498 186 L 4.0120 8.1088 119.0372 57.7568 41.3861 178.8989 187 Y 3.9643 8.1027 119.2986 60.7424 38.7758 177.8946 188 A 4.0103 8.2471 121.6387 55.4400 18.4278 179.5384 189 L 4.0399 8.1398 119.7513 58.5073 41.6627 180.7727 190 R 3.9976 7.7085 120.4135 61.4001 29.2383 180.8685 191 S 4.0724 8.1237 113.5296 60.8810 62.3741 175.3974 192 L 4.3900 8.1129 121.2593 54.0701 41.5675 177.2484 193 K 3.8868 7.7273 118.9650 55.4967 29.6825 181.0683 194 L 4.3000 8.0324 121.9126 57.6632 41.9965 178.1340 195 L 4.8500 7.3610 115.9975 52.0230 45.6563 176.7958 196 R 4.2480 9.2130 122.4285 55.1809 32.1561 177.8238 197 E 3.8935 8.5600 119.6972 59.7128 29.5940 178.1976 198 D 4.3566 8.1083 118.6127 56.6884 39.1960 178.4395 199 Q 3.9633 7.9878 118.7681 58.7783 28.8255 178.5861 200 I 3.6838 7.8702 120.7828 64.6499 37.0661 178.5929 201 Q 4.0908 8.5973 121.6059 59.3160 28.3777 179.2703 202 E 3.9774 8.6232 119.8682 61.4031 29.8202 182.2792 203 V 3.8502 7.9926 113.8738 63.9825 31.4454 178.8554 204 L 4.0761 8.1363 121.5030 58.1746 41.2481 180.2045 205 K 3.9660 8.1146 122.6647 59.7634 31.7418 180.6414 206 A 4.3305 8.0969 121.5245 54.9848 18.7081 179.1612 207 S 4.2635 8.5388 114.5187 62.6116 62.1756 176.5793 *208 H 4.8809 8.3619 122.1967 57.6548 28.6270 178.2275 209 R 4.4504 7.7383 126.0748 57.2306 30.2974 178.1088 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 18 P 0.00 4.55 0.00 1.87 2.03 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.61 0.00 19 R 7.61 4.49 0.00 1.44 1.76 0.00 3.23 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 20 N 9.00 4.79 0.00 2.71 2.73 0.00 0.00 6.86 7.94 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 21 I 8.45 4.69 1.87 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 1.10 0.87 0.94 0.00 0.00 22 S 8.75 4.55 0.00 3.70 3.72 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 23 R 8.61 4.09 0.00 1.81 1.97 0.00 3.21 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 24 E 8.24 4.31 0.00 2.04 2.01 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 2.38 2.41 0.00 25 E 8.29 4.23 0.00 2.07 1.87 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 2.23 1.94 0.00 26 S 7.93 4.66 0.00 3.72 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 27 L 8.33 4.24 0.00 1.64 1.62 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 7.67 4.62 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.14 0.00 29 L 7.89 4.41 0.00 1.65 1.47 0.92 0.91 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 30 E 8.62 4.42 0.00 1.98 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 2.23 1.87 0.00 31 G 8.96 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *32 Y 8.64 3.52 0.00 2.46 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.56 4.90 0.00 1.44 1.67 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.27 1.23 7.81 *34 H 8.89 5.46 0.00 2.59 2.95 0.00 7.09 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 9.27 5.22 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 36 C 9.29 5.43 0.00 2.73 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 37 H 9.55 5.57 0.00 3.31 3.41 0.00 5.56 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.71 4.84 1.11 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 39 L 8.26 4.41 0.00 1.34 1.24 1.19 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.57 5.28 0.00 1.68 1.57 0.95 0.95 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 41 H 8.99 5.99 0.00 3.33 3.38 0.00 5.74 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.30 5.05 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 43 P 0.00 4.74 0.00 2.09 2.08 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 44 S 8.66 4.61 0.00 3.86 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 45 Q 8.83 4.34 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 46 A 7.85 4.29 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 47 K 8.22 4.91 0.00 1.56 1.66 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.37 7.81 48 L 8.82 3.57 0.00 1.30 1.13 0.11 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.90 4.13 0.00 3.23 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 50 D 8.42 5.04 0.00 2.82 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 51 R 7.65 4.26 0.00 1.79 2.04 0.00 3.25 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 52 V 7.96 4.08 1.74 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 0.65 0.00 0.00 0.91 0.00 0.00 53 P 0.00 4.72 0.00 2.10 1.99 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 54 I 8.32 3.89 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.74 0.99 0.00 0.00 55 R 8.67 4.26 0.00 2.08 2.08 0.00 3.16 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 56 R 7.37 5.02 0.00 1.79 1.75 0.00 3.23 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 57 V 9.13 4.23 2.10 0.00 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2.39 2.40 0.00 134 I 7.70 3.72 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.92 0.93 0.00 0.00 135 E 8.70 4.01 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 136 R 8.35 3.95 0.00 1.78 1.95 0.00 3.27 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 1.57 1.55 0.00 137 I 7.85 3.84 2.05 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 1.53 0.55 0.93 0.00 0.00 138 E 8.03 3.94 0.00 2.13 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 2.37 2.50 0.00 139 A 8.06 4.11 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 0.00 140 E 8.19 4.34 0.00 2.10 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 2.25 2.44 0.00 141 A 8.00 4.72 1.42 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 0.00 0.00 142 V 7.66 3.42 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 0.72 0.00 0.00 0.89 0.00 0.00 143 N 8.21 4.74 0.00 2.70 2.84 0.00 0.00 6.92 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 0.00 144 A 7.19 4.20 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 0.00 145 K 8.72 3.87 0.00 1.73 2.02 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 146 D 8.21 5.17 0.00 2.85 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 0.00 147 H 7.84 4.43 0.00 3.41 3.22 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 9.34 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 0.00 0.00 0.00 149 L 7.68 4.45 0.00 1.85 1.36 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 150 E 9.41 4.16 0.00 2.00 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 2.33 2.12 0.00 151 V 8.39 4.60 2.27 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 1.05 0.00 0.00 1.01 0.00 0.00 152 M 10.14 4.36 0.00 1.91 2.21 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.69 0.00 153 G 7.62 4.39 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 0.00 154 L 7.89 5.00 0.00 1.57 1.64 0.95 0.81 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 0.00 155 I 8.72 4.78 1.93 0.00 0.00 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 1.27 1.00 0.95 0.00 0.00 156 R 8.42 5.00 0.00 1.67 1.84 0.00 3.20 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 157 V 8.10 3.11 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 0.34 0.00 0.00 0.91 0.00 0.00 158 P 0.00 3.87 0.00 1.47 1.56 0.00 2.45 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 159 L 7.85 4.14 0.00 1.60 1.70 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 160 Y 6.40 4.66 0.00 3.09 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 T 8.36 5.14 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 1.27 0.00 0.00 162 L 9.15 4.41 0.00 1.68 1.70 1.08 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 163 R 8.86 3.94 0.00 1.81 2.03 0.00 3.20 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 164 D 8.07 4.41 0.00 2.88 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 0.00 165 R 8.40 4.06 0.00 1.99 2.13 0.00 3.12 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 166 V 7.92 4.24 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 1.09 0.00 0.00 1.00 0.00 0.00 167 G 9.23 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 0.00 168 G 8.72 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 9.27 3.99 0.00 1.78 1.65 0.99 1.40 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 0.00 170 P 0.00 4.26 0.00 2.29 2.26 0.00 3.85 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 171 A 8.09 4.17 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 0.00 172 F 8.43 4.24 0.00 3.11 3.35 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 0.00 173 L 7.82 4.28 0.00 1.83 1.59 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 *175 N 7.35 4.22 0.00 2.11 2.24 0.00 0.00 7.12 8.00 0.00 0.00 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 N 7.93 4.60 0.00 2.71 2.51 0.00 0.00 6.77 7.71 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 0.00 177 F 8.62 4.98 0.00 2.84 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 0.00 178 I 8.89 3.77 1.79 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 1.14 1.45 0.89 0.00 0.00 179 G 8.52 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 0.00 180 N 9.08 4.55 0.00 2.95 2.99 0.00 0.00 6.90 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 S 8.14 4.50 0.00 4.12 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 0.00 182 K 7.82 3.35 0.00 1.25 1.59 0.00 1.31 0.00 0.00 1.54 0.00 0.00 2.71 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.21 0.81 7.81 183 S 7.94 3.99 0.00 3.83 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 0.00 184 Q 7.83 3.47 0.00 2.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 1.72 2.24 0.00 185 L 8.16 4.27 0.00 2.05 1.86 1.18 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 186 L 8.11 4.01 0.00 1.83 1.69 0.85 0.85 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 0.00 187 Y 8.10 3.96 0.00 2.95 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 0.00 188 A 8.25 4.01 1.59 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 0.00 0.00 189 L 8.14 4.04 0.00 1.85 1.72 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 190 R 7.71 4.00 0.00 1.77 1.93 0.00 3.28 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 191 S 8.12 4.07 0.00 3.02 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 0.00 192 L 8.11 4.39 0.00 1.63 1.61 0.64 0.78 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 0.00 193 K 7.73 3.89 0.00 1.92 1.72 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.26 7.81 194 L 8.03 4.30 0.00 1.73 1.73 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 195 L 7.36 4.85 0.00 1.54 1.49 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 196 R 9.21 4.25 0.00 1.91 1.85 0.00 3.12 0.00 0.00 3.08 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 197 E 8.56 3.89 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 198 D 8.11 4.36 0.00 2.90 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 0.00 199 Q 7.99 3.96 0.00 2.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 200 I 7.87 3.68 2.00 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 1.50 0.57 0.89 0.00 0.00 201 Q 8.60 4.09 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 202 E 8.62 3.98 0.00 1.93 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 2.24 2.23 0.00 203 V 7.99 3.85 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 0.76 0.00 0.00 0.99 0.00 0.00 204 L 8.14 4.08 0.00 1.86 1.69 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 205 K 8.11 3.97 0.00 1.84 1.73 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.33 7.81 206 A 8.10 4.33 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 0.00 207 S 8.54 4.26 0.00 4.03 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 *208 H 8.36 4.88 0.00 3.05 2.92 0.00 7.20 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 R 7.74 4.45 0.00 1.81 1.65 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 * Residues marked with a * may have inaccurate shift predictions.