NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 Q 4.1237 8.2033 119.5482 55.6838 30.5530 173.7814 13 F 5.2653 8.4417 121.1677 54.8667 43.1960 172.9609 14 L 4.3701 9.8355 122.6829 54.7584 42.9411 176.5385 15 R 5.2668 8.5795 122.2126 54.0240 33.4392 175.6847 16 T 4.1618 8.6649 110.8147 62.7875 70.0117 175.2472 17 D 4.6356 9.7424 121.8374 54.8389 39.6308 174.1020 18 D 4.6060 7.5400 119.1545 54.2015 42.2792 175.2271 19 E 4.8209 8.7357 122.3429 55.5560 30.9871 175.6812 20 V 4.8803 9.3635 117.7859 59.5333 36.3948 174.9338 21 V 4.8640 8.3441 115.3980 59.5934 34.6827 175.1079 22 L 4.7108 8.8332 128.1858 55.1781 42.5597 176.3913 23 Q 5.3981 9.4037 125.3181 53.9816 32.3065 170.9522 24 C 4.8404 9.3933 118.6834 57.1490 33.8986 173.2449 25 S 5.1515 8.1559 115.2078 57.1322 65.8599 170.4756 26 A 4.7057 8.6629 124.3903 49.8169 22.8125 174.9980 27 T 4.6108 8.6085 119.6678 63.6469 69.1580 175.1711 28 V 4.0688 8.4874 123.8316 62.6653 32.4315 173.8653 29 L 4.0435 7.2500 122.7678 57.2147 42.5156 177.1695 *31 E 4.1384 7.8212 116.6093 57.2463 32.2140 176.9318 32 Q 4.8833 8.7832 127.0783 53.9845 29.4375 173.5600 33 L 4.4589 8.6498 130.6917 53.8026 43.1412 173.4029 34 K 4.8683 8.5225 126.1969 53.1660 33.9183 173.8332 35 L 5.1581 9.1677 126.1262 51.9030 44.9079 175.2767 36 C 5.3388 8.7124 118.7528 55.8396 32.6054 173.0673 37 L 4.4305 9.5483 125.0768 55.5525 42.7326 175.5161 38 A 4.9325 8.6323 127.3794 50.1871 22.3851 174.4217 39 A 4.8294 8.2661 122.8062 51.4767 22.0629 176.7609 40 E 4.3596 9.0535 116.6218 57.2940 33.1354 178.1570 *45 R 4.3569 7.5795 117.1585 56.3903 31.4801 178.2809 46 L 4.6858 8.4910 120.0397 55.1150 42.7381 176.3691 47 C 4.7092 8.8329 120.0438 59.4062 29.3430 173.2599 48 F 5.2242 8.5568 118.6543 54.9714 41.2947 173.5160 49 L 5.1375 8.8234 120.0354 53.9536 44.6836 176.9701 50 E 4.5992 8.8633 123.2965 54.7489 30.8588 170.9550 51 P 5.0810 0.0000 0.0000 61.6625 32.5564 175.7961 52 T 4.7240 8.1519 111.2729 60.3939 70.6949 174.7511 53 S 4.1995 8.7485 118.4525 60.0967 63.9253 172.6819 *60 P 4.2805 0.0000 0.0000 62.0264 31.9363 175.8837 61 D 4.7079 8.1647 120.7897 52.0800 42.7151 176.9967 62 L 4.1584 8.6772 127.2831 58.8127 40.8946 175.8252 63 A 4.2068 8.0400 121.0623 56.1261 18.5370 179.6776 64 I 3.9094 7.6068 117.1497 63.9277 35.7024 179.2395 65 C 4.9082 7.0521 115.8278 59.8458 28.8915 173.2763 66 C 4.5214 7.2855 122.4863 59.1053 32.2151 172.4298 67 F 5.2614 9.8364 125.2250 55.7371 42.7970 174.0356 68 T 4.8519 8.9954 112.1826 59.9920 70.9641 174.0011 69 L 4.6457 8.5797 126.9837 54.6624 40.0639 177.2436 70 E 4.1995 9.1702 124.7385 58.6653 30.6288 176.4248 71 Q 4.7570 7.8899 119.0365 54.5305 33.0109 173.0242 72 S 5.5425 8.8893 119.3255 56.7240 65.2128 172.8503 73 L 4.9940 9.1553 125.8504 52.7914 46.3496 176.4427 74 S 4.2228 8.2951 115.6392 57.4429 64.4392 175.3189 75 V 3.4959 8.5214 122.6334 67.1635 31.0313 179.0466 76 R 3.8890 7.8301 119.3224 61.2535 28.8380 180.2549 77 A 4.1249 7.7550 120.7861 54.7654 18.3079 179.6168 78 L 3.5618 8.0108 121.6119 58.8537 41.9572 179.8388 79 Q 3.9303 7.9752 120.6428 59.9107 28.0651 180.0481 80 E 4.1748 8.0774 120.7636 59.4804 29.5572 178.7545 81 M 4.1064 7.3996 115.0169 58.0571 31.4399 178.1784 82 L 4.0821 7.6330 119.2587 57.2577 41.8671 178.7041 83 A 4.3001 7.4053 118.5229 53.3070 19.2663 178.0375 84 N 4.9222 7.5613 115.5911 50.8111 37.6931 172.8731 85 T 4.3804 7.6919 111.8371 59.3054 71.9686 174.6053 *97 G 3.8708 9.2154 119.3191 45.7591 0.0000 173.8232 *98 H 4.9898 9.1225 119.8225 53.0707 29.9197 175.1319 99 R 4.5559 9.4317 124.0726 54.2966 32.2023 175.9361 100 T 4.3275 8.4400 120.6077 63.7405 69.2814 173.9949 101 L 4.2844 9.0575 127.1819 54.4217 43.0822 175.9335 102 L 5.0450 8.0639 122.1456 52.6253 44.9438 175.4530 103 Y 4.0346 8.6391 120.9916 59.6570 38.3086 175.8792 104 G 4.1562 9.1059 112.6910 46.2683 0.0000 174.2388 105 H 4.5253 8.1243 115.8508 55.6696 30.1535 174.6261 106 A 5.3038 9.4719 123.7917 50.7316 21.0872 176.4526 107 I 5.1302 9.2277 115.1158 59.0913 41.5548 174.3916 108 L 4.2645 8.3579 124.1086 53.2598 44.5715 175.3055 109 L 4.9369 8.4820 127.6754 53.5167 43.2415 175.5591 110 R 4.5471 8.9618 126.4624 54.5600 31.9563 174.6785 111 H 3.8306 9.2012 127.3891 56.0929 29.9777 175.4686 112 A 3.8104 7.9086 129.0849 55.4913 18.3318 178.4555 113 H 4.0291 7.9967 116.5430 59.9957 30.2703 177.0966 114 S 4.2832 8.1624 116.1345 58.6508 62.6280 177.6331 115 R 3.8556 7.7352 115.0327 57.7927 27.5410 181.3869 116 M 4.5541 7.1957 117.1101 55.5737 34.7205 174.3446 117 Y 5.1814 8.7448 117.0225 55.9536 41.0864 175.5152 118 L 4.6924 8.9325 126.2750 55.3529 42.8622 175.9666 119 S 5.6127 9.1455 119.8974 55.9713 67.4414 172.6589 120 C 4.5997 8.4154 120.8654 57.7943 31.3789 173.1641 121 L 4.4927 8.5433 126.7605 54.6644 41.6481 177.9581 122 T 4.3284 8.6241 110.9502 64.1834 69.7254 175.5307 123 T 3.8623 7.7722 113.6610 61.2758 69.2348 174.6730 124 S 4.0700 8.1980 124.6103 58.5846 63.7598 174.4230 *131 L 4.3633 8.2057 119.2282 54.0867 42.7246 173.4998 132 A 4.7339 7.8841 117.6270 52.6613 19.5341 176.6893 133 F 4.7580 9.0844 117.6086 55.4487 43.0426 174.8289 134 D 4.8247 8.6792 122.1886 54.4476 42.0890 175.3270 135 V 4.8208 8.5765 122.8901 61.4805 33.9457 174.7984 136 G 4.6244 8.4680 112.6291 45.1474 0.0000 171.3935 137 L 4.9833 8.3732 119.6919 54.3935 42.9588 177.0138 138 Q 4.4605 8.9150 121.9058 54.5890 31.6576 175.8035 139 E 4.0051 9.2336 126.5385 59.3368 29.8998 177.2116 140 D 4.4775 8.0122 117.2874 53.8918 41.8048 175.5307 141 A 3.8340 8.4317 128.0291 52.2989 19.5364 177.0315 142 T 4.3146 7.3191 105.4240 60.8560 70.3788 175.1066 143 G 4.0181 8.6123 108.3080 45.1860 0.0000 173.7668 144 E 4.1462 8.5981 117.2409 58.2507 30.0875 179.4579 145 A 3.9883 7.8136 121.2827 54.5402 18.7006 179.3703 146 C 4.4273 7.8990 112.0923 61.5120 28.5949 173.8970 147 W 5.0242 7.6930 119.5790 55.3420 30.9429 175.8969 148 W 5.4810 9.1139 122.8988 55.2096 32.6419 174.5396 149 T 4.8267 9.2576 116.1188 61.5022 70.3164 173.5690 150 M 5.0638 8.6115 124.1610 54.7041 34.0787 174.9245 151 H 5.4220 9.4446 119.9267 53.1632 33.3329 171.5075 152 P 4.3239 0.0000 0.0000 62.6637 31.6517 176.7591 153 A 4.2442 8.7287 127.9263 55.0675 18.7985 178.9566 154 S 4.4725 7.6055 107.7646 57.8240 65.7002 178.4827 *158 S 4.0774 7.7979 112.1422 58.0424 62.9269 172.2371 159 E 4.2279 8.5456 127.3364 58.8025 29.1880 175.1815 160 G 3.6977 8.0898 116.8027 45.8108 0.0000 173.3818 161 E 4.3718 8.1760 119.8659 55.7542 30.9673 176.6499 162 K 4.3489 8.3805 120.4818 56.4168 33.2183 177.1962 163 V 3.8018 8.7060 124.5335 62.0205 32.3054 175.7833 164 R 4.8151 8.9237 127.2120 55.5509 31.8481 176.3726 165 V 3.6092 7.9115 121.8270 64.7365 31.5652 176.5702 166 G 4.0660 8.9852 116.0009 45.1297 0.0000 173.1503 167 D 4.5568 7.4429 119.9830 54.3903 41.4047 175.5204 168 D 4.9670 8.5674 122.9503 54.0113 41.8487 175.7491 169 L 5.2578 8.9857 121.9841 53.1659 46.6592 175.1881 170 I 4.8543 9.2271 121.7858 59.9295 39.6885 174.9048 171 L 5.1490 8.8727 126.4825 53.3128 43.9004 175.1674 172 V 4.7661 8.8860 125.4795 60.9622 33.7367 174.9493 173 S 3.6555 9.0022 123.9759 58.0742 62.5814 175.0458 174 V 3.5832 7.7644 127.9279 66.0523 31.4690 177.6170 175 S 4.1501 7.9228 115.2370 60.4902 63.2818 175.4935 176 S 4.2831 7.4260 113.7807 56.5596 63.7221 174.0198 177 E 3.9370 7.7861 119.5216 57.6968 27.5115 174.1427 178 R 4.3915 6.7293 112.9683 54.2212 33.8086 175.3883 179 Y 4.8656 8.5407 120.1734 57.6271 39.4588 174.8847 180 L 4.5134 9.2752 126.4468 55.8590 42.6009 175.4752 181 H 5.2143 9.8855 127.4069 54.3125 32.9130 172.3247 182 L 4.9785 8.5215 128.1120 53.8776 42.8853 175.6656 183 S 4.9763 9.2695 121.6048 56.9827 66.1502 173.4821 184 T 5.0507 8.3396 116.2749 62.1629 72.0975 173.6373 185 A 4.4435 8.2790 127.4041 53.9484 22.6395 177.3940 *188 E 4.1801 7.8805 111.0339 55.7628 31.3206 179.2777 189 L 4.6643 8.0600 124.2009 55.4621 40.7330 177.0773 190 Q 4.9968 8.6519 123.5431 53.4621 31.8553 173.2785 191 V 5.0247 8.4450 120.2843 60.5288 33.4354 174.4276 192 D 5.0841 9.2997 126.0616 51.8609 43.2528 174.0322 193 A 5.5602 9.4518 120.7968 49.9743 21.4381 175.4026 194 S 4.6824 8.4142 116.7853 57.5565 66.7906 174.5656 195 F 5.1805 8.8722 117.5014 58.3206 39.0389 175.3476 196 M 4.4226 7.9692 122.2447 53.7240 32.7526 176.3320 197 Q 4.3047 8.1331 121.7688 56.0698 29.9606 175.2535 198 T 4.5865 8.0614 113.9087 62.0016 72.5211 173.4122 199 L 4.7702 8.2125 125.0952 53.7134 42.8435 176.0178 200 W 4.9666 9.2624 124.0111 54.9334 32.4688 174.3408 201 N 5.2015 9.5872 121.4967 52.2560 40.4266 174.2975 202 M 4.6473 8.8616 125.9506 54.6125 32.3980 174.4433 203 N 4.7984 8.5760 122.9284 50.6951 39.6042 172.3289 204 P 5.0000 0.0000 0.0000 61.4277 31.4713 176.3062 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 12 Q 8.20 4.12 0.00 1.84 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 13 F 8.44 5.27 0.00 2.98 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 14 L 9.84 4.37 0.00 1.58 1.60 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.58 5.27 0.00 1.88 1.85 0.00 3.42 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 16 T 8.66 4.16 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 17 D 9.74 4.64 0.00 2.71 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 18 D 7.54 4.61 0.00 2.86 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 19 E 8.74 4.82 0.00 1.91 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 0.00 2.32 2.32 0.00 20 V 9.36 4.88 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 0.84 0.00 0.00 0.99 0.00 0.00 21 V 8.34 4.86 2.13 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 0.95 0.00 0.00 1.01 0.00 0.00 22 L 8.83 4.71 0.00 1.50 1.58 0.52 0.18 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 23 Q 9.40 5.40 0.00 1.68 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 24 C 9.39 4.84 0.00 2.20 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 0.00 0.00 0.00 25 S 8.16 5.15 0.00 3.35 3.59 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 26 A 8.66 4.71 1.13 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 0.00 0.00 0.00 27 T 8.61 4.61 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 1.19 0.00 0.00 28 V 8.49 4.07 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 0.73 0.00 0.00 0.93 0.00 0.00 29 L 7.25 4.04 0.00 1.74 1.64 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 *31 E 7.82 4.14 0.00 1.68 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 2.21 1.90 0.00 32 Q 8.78 4.88 0.00 1.82 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.20 1.91 0.00 33 L 8.65 4.46 0.00 1.35 1.56 0.92 0.61 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 34 K 8.52 4.87 0.00 1.43 1.72 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.74 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.02 7.81 35 L 9.17 5.16 0.00 1.42 1.55 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 36 C 8.71 5.34 0.00 3.03 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 37 L 9.55 4.43 0.00 1.86 1.69 0.80 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.63 4.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.27 4.83 1.03 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 40 E 9.05 4.36 0.00 1.95 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 2.11 1.82 0.00 *45 R 7.58 4.36 0.00 1.52 1.88 0.00 3.22 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.24 0.00 46 L 8.49 4.69 0.00 1.61 1.71 0.96 0.97 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 47 C 8.83 4.71 0.00 2.87 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 48 F 8.56 5.22 0.00 3.19 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 49 L 8.82 5.14 0.00 1.58 1.65 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.86 4.60 0.00 1.67 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 2.19 2.15 0.00 51 P 0.00 5.08 0.00 1.95 2.03 0.00 3.65 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 52 T 8.15 4.72 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 53 S 8.75 4.20 0.00 4.00 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 *60 P 0.00 4.28 0.00 2.24 2.16 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 61 D 8.16 4.71 0.00 2.91 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.68 4.16 0.00 1.68 1.72 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.04 4.21 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 64 I 7.61 3.91 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 1.64 0.72 0.91 0.00 0.00 65 C 7.05 4.91 0.00 3.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 C 7.29 4.52 0.00 3.07 2.63 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 67 F 9.84 5.26 0.00 2.84 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 68 T 9.00 4.85 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 1.18 0.00 0.00 69 L 8.58 4.65 0.00 1.67 1.69 1.00 0.66 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 70 E 9.17 4.20 0.00 2.03 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 2.39 2.31 0.00 71 Q 7.89 4.76 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.64 0.00 0.00 0.00 0.00 0.00 2.65 2.51 0.00 72 S 8.89 5.54 0.00 3.97 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 9.16 4.99 0.00 1.14 1.20 0.41 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.30 4.22 0.00 3.80 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 75 V 8.52 3.50 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 0.95 0.00 0.00 0.90 0.00 0.00 76 R 7.83 3.89 0.00 1.86 1.92 0.00 3.30 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 77 A 7.75 4.12 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 78 L 8.01 3.56 0.00 1.26 1.58 -0.61 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 7.98 3.93 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 80 E 8.08 4.17 0.00 2.08 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 2.25 2.26 0.00 81 M 7.40 4.11 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 82 L 7.63 4.08 0.00 1.57 1.70 0.78 0.82 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 83 A 7.41 4.30 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.56 4.92 0.00 2.71 2.77 0.00 0.00 6.76 6.97 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 85 T 7.69 4.38 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 1.27 0.00 0.00 *97 G 9.22 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 *98 H 9.12 4.99 0.00 2.66 2.84 0.00 7.19 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 9.43 4.56 0.00 1.74 1.87 0.00 3.12 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 100 T 8.44 4.33 4.12 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 0.95 0.00 0.00 101 L 9.06 4.28 0.00 1.71 1.46 0.95 0.30 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 0.00 102 L 8.06 5.05 0.00 1.20 1.39 0.75 0.86 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.20 0.80 0.00 111 H 9.20 3.83 0.00 3.00 3.09 0.00 5.65 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 0.00 112 A 7.91 3.81 1.12 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 0.00 0.00 113 H 8.00 4.03 0.00 3.14 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.16 4.28 0.00 3.69 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 0.00 115 R 7.74 3.86 0.00 2.00 1.92 0.00 3.22 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 116 M 7.20 4.55 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.55 0.00 117 Y 8.74 5.18 0.00 2.84 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 0.00 118 L 8.93 4.69 0.00 1.73 1.48 0.62 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 119 S 9.15 5.61 0.00 3.95 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 0.00 120 C 8.42 4.60 0.00 2.53 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 0.00 121 L 8.54 4.49 0.00 1.77 1.66 1.00 0.98 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 0.00 122 T 8.62 4.33 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 1.28 0.00 0.00 123 T 7.77 3.86 4.21 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 1.21 0.00 0.00 124 S 8.20 4.07 0.00 3.72 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 L 8.21 4.36 0.00 1.69 1.62 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.88 4.73 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.08 4.76 0.00 2.96 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 0.00 134 D 8.68 4.82 0.00 2.82 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 0.00 135 V 8.58 4.82 2.13 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 1.13 0.00 0.00 1.09 0.00 0.00 136 G 8.47 4.62 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 0.00 137 L 8.37 4.98 0.00 1.59 1.63 0.82 0.86 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 0.00 138 Q 8.92 4.46 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 139 E 9.23 4.01 0.00 2.04 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 2.35 2.34 0.00 140 D 8.01 4.48 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.43 3.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 1.76 0.00 0.00 0.00 0.00 0.00 0.00 170 I 9.23 4.85 2.22 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.19 1.31 0.00 0.00 171 L 8.87 5.15 0.00 1.48 1.53 0.82 0.29 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 0.00 172 V 8.89 4.77 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.00 0.00 0.00 173 S 9.00 3.66 0.00 3.15 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 V 7.76 3.58 2.16 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 0.74 0.00 0.00 0.94 0.00 0.00 175 S 7.92 4.15 0.00 3.89 3.90 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 0.00 176 S 7.43 4.28 0.00 3.22 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.79 3.94 0.00 2.15 2.06 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 2.18 2.17 0.00 178 R 6.73 4.39 0.00 1.50 1.63 0.00 2.51 0.00 0.00 2.84 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.15 0.00 179 Y 8.54 4.87 0.00 3.18 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 L 9.28 4.51 0.00 1.49 1.44 0.32 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 181 H 9.89 5.21 0.00 3.61 3.45 0.00 5.82 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 L 8.52 4.98 0.00 1.44 1.34 0.85 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 183 S 9.27 4.98 0.00 3.92 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 0.00 184 T 8.34 5.05 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 1.21 0.00 0.00 185 A 8.28 4.44 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *188 E 7.88 4.18 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.91 0.00 189 L 8.06 4.66 0.00 1.66 1.69 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 190 Q 8.65 5.00 0.00 1.76 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 191 V 8.45 5.02 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.21 0.00 0.00 192 D 9.30 5.08 0.00 3.03 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 0.00 193 A 9.45 5.56 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 S 8.41 4.68 0.00 3.89 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 0.00 195 F 8.87 5.18 0.00 3.21 3.21 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 0.00 196 M 7.97 4.42 0.00 1.97 1.73 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 2.60 2.49 0.00 197 Q 8.13 4.30 0.00 1.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.71 0.00 0.00 0.00 0.00 0.00 2.06 2.25 0.00 198 T 8.06 4.59 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 199 L 8.21 4.77 0.00 1.43 1.60 0.90 0.88 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 0.00 200 W 9.26 4.97 0.00 3.21 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 0.00 201 N 9.59 5.20 0.00 2.72 2.76 0.00 0.00 6.74 7.97 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 0.00 202 M 8.86 4.65 0.00 1.88 2.03 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 203 N 8.58 4.80 0.00 2.36 2.70 0.00 0.00 6.93 8.01 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 0.00 204 P 0.00 5.00 0.00 2.04 2.00 0.00 3.73 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 * Residues marked with a * may have inaccurate shift predictions.