NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 K 4.2744 8.1727 121.7922 56.4188 34.0808 177.6888 0 L 3.9742 7.9230 118.6880 57.6980 42.2023 176.1674 1 H 4.1175 8.3152 118.7058 58.4935 30.2065 176.2521 2 S 4.1500 8.0946 115.0917 62.0908 62.6123 176.4156 3 Q 3.9567 7.8512 121.4098 58.7980 28.4843 179.2717 4 A 3.9613 8.4312 121.8193 54.8085 18.4143 179.3234 5 N 4.2926 8.1388 114.6972 56.5873 38.6486 177.0812 6 L 3.6730 7.9396 121.4356 58.1925 42.1429 178.6100 7 M 3.8442 8.0955 118.8759 58.6908 31.9708 178.8722 8 R 3.8671 7.9864 118.4394 59.1395 30.1798 178.2931 9 L 3.4385 7.6415 120.2858 57.4519 41.8297 178.8495 10 K 2.7583 7.4285 118.6473 59.0377 31.8818 179.0841 11 S 4.1051 7.6923 113.0113 61.4869 62.1189 175.5981 12 D 4.3427 8.0079 120.3186 58.0347 40.7184 178.3242 13 L 3.8878 7.4716 117.3315 58.7872 41.8481 179.7008 14 F 4.7383 8.9391 117.6432 60.8130 39.1525 177.3466 15 N 4.8715 8.2308 113.3573 53.2548 40.0247 176.5027 16 R 4.8260 7.2560 113.6857 55.3022 31.7323 173.9717 17 S 4.4918 8.0229 120.1482 60.1186 68.4522 174.2841 *20 Y 4.4271 8.4566 122.1407 57.5920 40.1177 172.4110 21 P 4.5230 0.0000 0.0000 62.2967 31.9326 176.2247 22 G 3.1112 5.8938 104.0149 44.6606 0.0000 171.9283 23 P 4.3893 0.0000 0.0000 62.5383 31.7106 175.5510 24 T 4.7201 7.8377 108.0765 60.1561 71.8918 174.6145 25 K 4.3398 8.5716 118.9722 59.3281 32.1812 178.5883 26 D 4.4744 8.0234 117.3424 56.3649 41.7749 175.9743 27 D 4.8183 7.8289 118.2345 51.6945 40.8094 172.3155 28 P 5.1674 0.0000 0.0000 61.7211 33.3074 176.4727 29 L 4.8858 9.3742 121.4782 53.6057 46.0730 174.9809 30 T 4.9677 8.6008 119.8779 61.8789 71.2314 173.3712 31 V 4.7089 8.7614 127.1453 61.6300 34.0599 174.3972 32 T 5.0991 9.2853 124.9625 62.1328 70.8150 173.5895 33 L 5.1945 8.9307 125.8440 52.8233 45.1709 175.7920 34 G 4.1543 8.6821 109.9862 44.4053 0.0000 171.3672 35 F 5.1266 9.4131 122.7812 56.0129 41.7072 175.0078 36 T 4.8544 8.7866 119.0634 61.6519 71.3161 172.6231 37 L 4.7867 8.4781 129.4066 54.3007 42.6740 175.9212 38 Q 4.7259 9.3095 125.2515 57.3524 31.4875 175.2622 39 D 4.4782 7.8647 115.8687 53.1580 44.8774 174.5086 40 I 4.5405 8.7883 127.3916 60.5554 37.1302 175.7903 41 V 4.0258 8.6764 128.7053 65.3160 32.3414 176.3382 42 K 4.7381 7.7500 118.8372 55.2333 35.7130 174.4726 43 A 4.7503 8.7295 127.9950 50.2164 20.9071 174.8376 44 D 4.7428 9.1851 123.1504 53.8125 42.0109 176.9584 45 S 4.5704 8.8077 120.5447 58.7444 63.6567 174.9445 46 S 4.4733 8.7393 116.4728 59.5247 63.4096 174.7832 47 T 4.3922 7.6787 108.1403 60.1312 70.4375 172.9703 48 N 4.3269 8.1798 118.8767 54.1561 36.5531 173.1148 49 E 4.9251 7.6083 116.1333 54.5137 33.9107 176.8038 50 V 4.6444 7.7327 121.1356 61.2264 35.3395 173.6872 51 D 5.5654 9.2691 127.5326 52.8780 42.8667 175.4967 52 L 5.3721 9.4681 122.9040 52.9086 45.9235 175.4920 53 V 4.8998 8.9900 121.8212 61.3656 34.3447 174.0719 54 Y 5.3115 8.1321 124.5638 56.2412 42.0380 172.8506 55 Y 5.3722 8.7720 117.8903 55.2159 41.8115 174.4750 56 E 4.6061 8.9119 120.7096 54.1629 32.6521 174.4459 57 Q 4.2161 8.9627 130.4970 56.0883 30.3549 174.7057 58 Q 5.3001 9.1239 125.2143 54.3638 32.8316 174.7847 59 R 5.5026 9.2310 120.9525 54.3843 35.2560 174.1579 60 W 5.4191 8.0767 118.5543 55.9572 31.9217 172.9385 61 K 4.9112 8.7303 120.7705 55.1261 34.5194 174.7927 62 L 4.6784 8.8139 127.8077 52.7782 43.9808 177.7057 63 N 4.3455 8.9137 120.9504 56.3282 38.7311 176.8661 64 S 4.4341 7.9636 110.2745 59.7488 63.5050 174.2335 65 L 4.7898 7.6025 120.4025 55.0448 41.9952 176.6640 66 M 4.7287 7.9555 119.0563 55.3216 32.7645 175.4436 67 W 5.1905 8.3974 117.3734 55.7518 32.2438 173.4243 68 D 4.6842 8.9721 120.3052 52.3731 41.1591 175.3788 69 P 4.7774 0.0000 0.0000 65.0561 31.9412 178.2260 70 N 4.4353 8.9678 116.6174 55.8548 38.6309 176.5592 71 E 4.1733 8.0627 115.2108 57.7512 29.3313 176.4306 72 Y 4.7331 7.3177 117.0994 57.6277 39.3280 175.4118 73 G 3.5416 8.9242 104.3962 46.9850 0.0000 174.1254 74 N 4.3233 8.6425 114.2792 54.0710 37.9965 173.5959 75 I 4.1614 7.6451 116.7425 61.0132 37.8696 175.8961 76 T 4.6159 8.7122 114.9246 62.6477 71.0480 173.6806 77 D 5.6240 8.2003 119.2287 52.5451 42.5510 174.2656 78 F 5.0797 8.6767 113.3830 55.6775 41.6780 173.6759 79 R 4.7974 8.6947 118.6063 56.4160 31.3348 175.8076 80 T 4.7945 8.8816 115.4033 60.7038 71.7681 172.9550 81 S 4.4387 8.8977 121.1465 58.4102 62.9662 175.2548 82 A 3.8285 8.8692 130.5183 54.8378 18.3041 179.4487 83 A 4.0040 7.4295 117.9961 54.9676 18.4693 178.2011 84 D 4.3041 7.7035 114.0998 55.1217 41.0561 175.8353 85 I 4.7257 7.0595 111.5773 58.1426 40.8894 174.7107 86 W 4.3266 8.9013 131.0872 57.4868 31.1744 175.2130 87 T 3.9774 6.8902 113.9478 58.5470 71.3624 171.5663 88 P 3.5679 0.0000 0.0000 62.1368 32.5373 176.1918 89 D 4.7172 8.2405 121.1595 52.8707 38.2279 176.6226 90 I 4.5664 7.5648 118.9108 62.6824 38.3213 177.5665 91 T 4.9715 10.0691 124.6455 61.5835 72.3695 173.2270 92 A 4.4913 8.7728 126.6726 51.9730 19.1960 177.1096 93 Y 4.6130 8.9689 119.1756 58.2999 39.0286 176.2464 94 S 4.8009 7.6541 114.8538 57.6711 63.7767 174.2427 95 S 4.8669 8.2644 114.7210 59.8103 63.4647 173.6188 96 T 4.5975 8.4535 109.8060 61.3605 69.3726 173.8702 97 R 4.6589 7.4915 119.1146 54.2828 34.1499 172.9286 98 P 4.2937 0.0000 0.0000 62.2935 31.9146 176.7114 99 V 3.8211 8.3567 122.0862 63.9626 32.1907 175.0537 100 Q 4.4492 8.9742 127.1301 54.6024 30.0734 175.1221 101 V 4.2387 8.4076 125.1616 62.8352 31.9281 175.5289 102 L 4.8163 8.9237 126.7601 54.4317 43.1837 176.1363 103 S 4.8255 7.7615 112.2065 55.3868 66.3583 172.2629 104 P 4.4491 0.0000 0.0000 62.9682 31.9181 177.4265 105 Q 4.7908 8.3931 121.5917 54.8334 27.5256 173.8944 106 I 5.0760 8.0217 120.5827 59.2608 41.6128 174.2148 107 A 5.0379 9.3323 126.9548 50.2070 22.9743 174.9269 108 V 4.5451 8.9863 119.2143 61.1004 34.1840 174.4137 109 V 4.5831 8.1776 127.9004 61.4102 33.6546 174.5428 110 T 5.0377 8.4520 124.5714 61.6745 71.0733 175.5175 111 H 2.0000 8.5900 119.9356 57.4040 28.3692 176.9238 112 D 4.1611 7.1091 117.6163 53.8547 39.7735 176.9471 113 G 3.9895 8.4033 109.6100 44.8437 0.0000 173.6463 114 S 4.7019 7.8043 114.8994 58.0671 64.8484 173.4762 115 V 4.4723 8.4711 121.0618 61.1176 34.7603 173.7399 116 M 5.0150 8.8720 126.7056 53.6347 35.3744 173.9805 117 F 5.2473 9.1645 127.2637 56.4045 42.9617 174.0023 118 I 5.2570 7.9673 125.8188 57.8790 36.6028 173.1549 119 P 4.1985 0.0000 0.0000 62.4434 33.1237 176.8980 120 A 5.0719 8.5688 125.0305 51.2345 21.2610 176.0983 121 Q 4.7525 8.6997 119.0051 54.4249 33.9090 173.6521 122 R 4.9118 8.9778 124.4954 54.8291 32.2121 174.6107 123 L 5.1067 9.0532 128.0426 53.4718 45.6386 174.8811 124 S 5.5048 8.8328 122.1691 57.2236 65.2792 173.2185 125 F 5.3949 8.6782 118.8025 55.0870 42.2340 173.3331 126 M 4.4560 8.9419 119.2278 55.9823 31.9564 176.1729 127 C 4.5682 8.7019 123.4838 55.7114 47.7772 172.5296 128 D 4.9862 9.0877 126.7182 52.6411 40.7795 173.1116 129 P 4.6569 0.0000 0.0000 62.9881 31.6563 175.9086 130 T 3.9579 8.0775 116.3674 66.0876 68.8123 174.7581 131 G 3.9189 8.9593 113.5985 45.3845 0.0000 175.3852 132 V 3.5014 7.6203 120.3887 63.6983 31.4492 176.9153 133 D 4.9472 7.9700 119.4047 53.0799 39.5058 175.6642 134 S 4.7798 7.6255 114.2031 56.6218 65.8660 174.5849 135 E 3.8917 8.7283 120.8168 59.4843 29.2655 177.3922 136 E 4.1329 8.1665 114.5358 55.9603 30.2381 178.4141 137 G 3.6877 7.4095 107.7651 45.0047 0.0000 172.5993 138 A 4.7113 7.8980 119.9202 50.2581 22.8911 176.0026 139 T 5.1148 8.3048 114.8477 62.1404 71.6829 174.2722 140 C 5.4252 9.4144 122.6932 55.3808 44.9238 172.8942 141 A 5.8681 8.8233 120.7537 50.8622 22.0011 176.1656 142 V 4.2749 7.8965 119.9618 59.9495 35.0806 174.0763 143 K 4.6914 8.3767 123.2034 55.4667 33.9258 175.5082 144 F 5.3951 8.7023 122.7832 55.8806 42.7580 174.5887 145 G 4.2460 8.9991 108.3730 45.6266 0.0000 172.2999 146 S 4.9692 9.1137 114.7415 58.0641 62.3441 174.0515 147 W 4.4438 9.3001 135.0000 59.1501 30.8362 177.3156 148 V 4.2882 8.1540 108.0088 60.9079 33.0487 174.7213 149 Y 4.7875 8.4571 118.8912 56.0448 39.2394 176.0100 150 S 2.7900 9.3874 120.1900 56.9115 64.0264 174.9563 151 G 3.5849 8.0965 108.5171 47.8305 0.0000 174.2777 152 F 4.9444 7.7672 118.3630 57.6296 39.8717 176.3190 153 E 4.6972 8.5762 120.1406 57.3133 31.9778 175.9352 154 I 4.8131 7.6041 120.6740 59.5038 40.2149 174.4549 155 D 4.7524 9.5713 127.8725 53.2569 43.0937 174.9260 156 L 5.4426 8.4039 122.3307 53.0673 44.7943 175.9677 157 K 4.8972 8.8660 120.5308 54.9824 36.8175 175.3433 158 T 5.1344 8.3082 111.5392 59.3245 71.0084 174.0073 159 D 4.5112 8.7750 122.2260 56.9358 41.4016 176.3624 160 T 4.6282 7.4704 110.9564 61.0168 70.4092 172.2514 161 D 5.2619 8.5146 122.1586 52.5799 40.8339 175.1841 162 Q 4.7073 7.9459 118.8751 54.7034 29.8605 176.1156 163 V 3.8301 8.5487 124.3659 62.7227 32.9920 175.1393 164 D 4.5052 8.8524 124.8725 54.0868 41.1158 176.5467 165 L 4.6360 8.4143 125.8309 54.6174 42.2624 178.0713 166 S 4.4777 8.9459 113.9664 59.7837 63.3040 174.6559 167 S 4.8266 7.7160 117.4468 58.2901 63.6881 173.3926 168 Y 4.4139 8.1803 121.4544 57.0415 39.3413 174.3816 169 Y 4.1664 7.9199 128.2846 57.8110 38.9921 176.8772 170 A 4.0736 8.4378 130.3990 54.2740 18.8325 177.7994 171 S 4.3766 5.8100 110.2923 57.9194 63.2907 174.3314 172 S 4.4449 6.8127 114.8724 58.1132 62.7183 174.5484 173 K 3.9841 8.7714 124.2752 58.7012 32.8360 176.1670 174 Y 5.3651 8.1155 117.1541 56.0005 40.5414 175.4691 175 E 4.7313 9.0858 121.4497 55.3399 32.3738 174.8577 176 I 4.5945 7.9542 122.1259 60.5736 37.7194 175.6263 177 L 4.4742 9.2200 128.2032 56.9776 42.6691 177.2513 178 S 4.6711 7.7600 109.5790 57.6300 66.2181 174.9644 179 A 4.9899 8.2895 123.5289 51.3355 21.8965 175.2158 180 T 5.1464 9.1421 113.0730 60.2705 72.7289 173.3389 181 Q 5.0221 8.9929 119.8541 55.0746 31.9915 174.0632 182 T 4.7792 8.6473 119.5802 61.3395 72.7815 173.5509 183 R 4.5051 8.7674 126.9051 56.9833 31.0026 175.2666 184 Q 4.6861 9.5244 123.1594 54.5797 34.1136 173.5510 185 V 4.8333 8.2451 119.5766 61.4001 34.2322 174.5620 186 Q 4.6019 9.0407 125.2331 54.4573 33.1593 173.7508 187 H 5.0784 8.5386 117.3256 54.2902 31.6624 173.4567 188 Y 4.8511 8.0651 117.5728 55.8176 40.9451 176.8903 189 S 4.1227 8.8670 116.8649 61.4742 62.5949 174.7422 190 C 4.5147 8.1179 113.8719 57.7656 41.8354 174.3986 191 C 5.1683 8.2514 116.4912 54.3179 44.0934 172.2393 192 P 4.4289 0.0000 0.0000 65.8709 31.1305 177.1929 193 E 4.0551 8.0907 117.9595 55.0585 30.1748 174.8913 194 P 4.4099 0.0000 0.0000 62.8648 33.1537 174.4421 195 Y 4.7090 9.1367 118.5848 56.2988 41.2319 174.6396 196 I 4.9553 8.3837 123.5105 59.8593 39.1446 174.7090 197 D 5.1186 9.1724 125.4765 51.6013 43.4943 174.4016 198 V 4.7119 9.2090 120.4937 61.4015 33.8894 173.8321 199 N 4.9681 9.0133 127.9937 52.2602 40.6198 173.6166 200 L 4.4000 8.8062 130.0305 54.3501 43.0138 175.2249 201 V 4.6465 8.3698 127.8994 61.5672 33.4039 174.7075 202 V 4.8455 9.0102 127.9882 61.1484 34.3862 174.0009 203 K 5.4161 9.5706 128.8801 54.9798 34.3883 175.5436 204 F 5.5804 8.7593 118.4174 56.1981 41.8740 173.0659 205 R 5.0664 9.0709 114.9676 54.5996 33.1443 174.1165 206 E 4.3603 9.1441 121.1228 56.7641 30.0018 177.1128 207 R 4.0969 8.5685 125.9373 57.0661 30.6931 176.6676 208 R 4.1847 8.3197 124.0248 56.6597 31.2471 174.7600 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -1 K 8.17 4.27 0.00 1.81 1.88 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.44 7.81 0 L 7.92 3.97 0.00 1.74 1.69 0.95 0.66 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 1 H 8.32 4.12 0.00 3.24 3.18 0.00 5.76 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.09 4.15 0.00 4.11 4.17 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 3 Q 7.85 3.96 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 4 A 8.43 3.96 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.14 4.29 0.00 2.97 3.11 0.00 0.00 6.78 6.74 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 6 L 7.94 3.67 0.00 1.67 1.71 0.46 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 7 M 8.10 3.84 0.00 1.98 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.77 0.00 8 R 7.99 3.87 0.00 2.06 2.16 0.00 3.05 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 9 L 7.64 3.44 0.00 0.66 1.02 -0.98 -1.23 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 10 K 7.43 2.76 0.00 1.62 1.42 0.00 1.37 0.00 0.00 1.33 0.00 0.00 2.56 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.82 0.21 7.81 11 S 7.69 4.11 0.00 3.84 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 12 D 8.01 4.34 0.00 2.56 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.47 3.89 0.00 1.23 1.48 0.70 0.81 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 14 F 8.94 4.74 0.00 2.97 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 15 N 8.23 4.87 0.00 2.92 2.89 0.00 0.00 6.99 7.19 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 16 R 7.26 4.83 0.00 2.03 1.92 0.00 3.06 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 17 S 8.02 4.49 0.00 3.90 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 Y 8.46 4.43 0.00 2.95 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.52 0.00 2.05 1.99 0.00 2.96 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 22 G 5.89 3.11 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 0.00 23 P 0.00 4.39 0.00 1.99 1.71 0.00 3.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.23 0.00 24 T 7.84 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 1.15 0.00 0.00 25 K 8.57 4.34 0.00 1.78 1.88 0.00 1.82 0.00 0.00 2.34 0.00 0.00 3.02 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.39 1.50 7.81 26 D 8.02 4.47 0.00 2.65 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.83 4.82 0.00 2.72 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.17 0.00 2.13 2.24 0.00 3.37 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.81 0.00 29 L 9.37 4.89 0.00 1.56 1.38 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.60 4.97 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 31 V 8.76 4.71 2.18 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 1.10 0.00 0.00 0.99 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0.65 0.96 0.00 0.00 107 A 9.33 5.04 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 0.00 108 V 8.99 4.55 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.89 0.00 0.00 109 V 8.18 4.58 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 0.00 0.00 1.03 0.00 0.00 0.72 0.00 0.00 110 T 8.45 5.04 4.19 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 0.00 0.00 0.00 1.08 0.00 0.00 111 H 8.59 2.00 0.00 2.20 2.37 0.00 5.45 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 D 7.11 4.16 0.00 2.62 2.49 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 0.00 0.00 0.00 0.00 113 G 8.40 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.80 4.70 0.00 3.71 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 0.00 115 V 8.47 4.47 0.67 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 0.23 0.00 0.00 0.64 0.00 0.00 116 M 8.87 5.01 0.00 1.93 1.72 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 117 F 9.16 5.25 0.00 3.03 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 0.00 118 I 7.97 5.26 1.68 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.67 0.82 0.00 0.00 119 P 0.00 4.20 0.00 1.92 1.65 0.00 3.57 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.49 0.00 120 A 8.57 5.07 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 0.00 121 Q 8.70 4.75 0.00 0.99 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 122 R 8.98 4.91 0.00 1.82 1.77 0.00 3.03 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 123 L 9.05 5.11 0.00 2.09 1.87 1.08 1.14 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 0.00 124 S 8.83 5.50 0.00 3.85 3.78 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 0.00 125 F 8.68 5.39 0.00 3.34 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 0.00 126 M 8.94 4.46 0.00 1.93 2.16 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.49 0.00 127 C 8.70 4.57 0.00 2.47 2.45 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 0.00 128 D 9.09 4.99 0.00 2.65 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 0.00 129 P 0.00 4.66 0.00 2.29 2.33 0.00 3.85 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 130 T 8.08 3.96 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 1.19 0.00 0.00 131 G 8.96 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 0.00 0.00 0.00 132 V 7.62 3.50 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.95 0.00 0.00 133 D 7.97 4.95 0.00 2.80 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 0.00 134 S 7.63 4.78 0.00 3.98 3.97 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 0.00 135 E 8.73 3.89 0.00 1.94 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 2.28 2.33 0.00 136 E 8.17 4.13 0.00 1.97 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 0.00 2.29 2.28 0.00 137 G 7.41 3.69 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 0.00 0.00 0.00 138 A 7.90 4.71 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 T 8.30 5.11 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 1.24 0.00 0.00 140 C 9.41 5.43 0.00 3.20 3.33 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 0.00 141 A 8.82 5.87 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 0.00 142 V 7.90 4.27 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 -0.03 0.00 0.00 0.29 0.00 0.00 143 K 8.38 4.69 0.00 1.54 1.39 0.00 1.48 0.00 0.00 2.04 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.37 7.81 144 F 8.70 5.40 0.00 3.01 3.07 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 0.00 145 G 9.00 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 0.00 0.00 0.00 0.00 146 S 9.11 4.97 0.00 4.18 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 W 9.30 4.44 0.00 3.39 3.11 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 0.00 148 V 8.15 4.29 1.89 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 0.88 0.00 0.00 0.59 0.00 0.00 149 Y 8.46 4.79 0.00 3.05 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 0.00 150 S 9.39 2.79 0.00 3.38 3.51 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 0.00 0.00 0.00 0.00 151 G 8.10 3.58 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 0.00 0.00 0.00 152 F 7.77 4.94 0.00 3.12 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 0.00 153 E 8.58 4.70 0.00 2.19 1.91 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 2.41 2.40 0.00 154 I 7.60 4.81 1.96 0.00 0.00 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 1.07 0.84 1.00 0.00 0.00 155 D 9.57 4.75 0.00 2.79 2.54 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 0.00 156 L 8.40 5.44 0.00 1.57 1.58 1.04 0.91 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 0.00 157 K 8.87 4.90 0.00 1.69 1.65 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.54 7.81 158 T 8.31 5.13 4.40 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 1.26 0.00 0.00 159 D 8.77 4.51 0.00 2.69 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 0.00 160 T 7.47 4.63 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 1.22 0.00 0.00 161 D 8.51 5.26 0.00 2.91 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 0.00 162 Q 7.95 4.71 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 163 V 8.55 3.83 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 0.74 0.00 0.00 0.97 0.00 0.00 164 D 8.85 4.51 0.00 2.72 2.49 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 0.00 0.00 0.00 0.00 165 L 8.41 4.64 0.00 1.74 1.65 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 166 S 8.95 4.48 0.00 3.96 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 0.00 167 S 7.72 4.83 0.00 3.90 3.93 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 0.00 168 Y 8.18 4.41 0.00 3.08 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 0.00 169 Y 7.92 4.17 0.00 2.81 2.51 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 0.00 0.00 0.00 0.00 170 A 8.44 4.07 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 S 5.81 4.38 0.00 3.05 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 0.00 172 S 6.81 4.44 0.00 3.88 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 0.00 173 K 8.77 3.98 0.00 1.33 0.95 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.38 7.81 174 Y 8.12 5.37 0.00 3.10 3.23 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 0.00 175 E 9.09 4.73 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 176 I 7.95 4.59 1.58 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 -0.34 0.85 0.00 0.00 177 L 9.22 4.47 0.00 1.50 1.71 0.91 0.89 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 S 7.76 4.67 0.00 3.83 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 0.00 179 A 8.29 4.99 1.17 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 0.00 0.00 180 T 9.14 5.15 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 1.20 0.00 0.00 181 Q 8.99 5.02 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 182 T 8.65 4.78 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 1.21 0.00 0.00 183 R 8.77 4.51 0.00 1.84 1.84 0.00 3.30 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 184 Q 9.52 4.69 0.00 2.25 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 185 V 8.25 4.83 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.90 0.00 0.00 186 Q 9.04 4.60 0.00 1.42 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.51 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 187 H 8.54 5.08 0.00 2.87 3.16 0.00 5.83 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 Y 8.07 4.85 0.00 2.72 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 0.00 189 S 8.87 4.12 0.00 3.84 3.93 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 0.00 190 C 8.12 4.51 0.00 3.08 3.13 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 0.00 191 C 8.25 5.17 0.00 3.12 3.36 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 0.00 192 P 0.00 4.43 0.00 2.28 2.25 0.00 3.85 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 2.08 2.06 0.00 193 E 8.09 4.06 0.00 1.91 1.54 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 2.59 2.69 0.00 194 P 0.00 4.41 0.00 1.86 1.81 0.00 2.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 195 Y 9.14 4.71 0.00 2.90 3.11 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 0.00 196 I 8.38 4.96 1.90 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 1.32 0.78 0.96 0.00 0.00 197 D 9.17 5.12 0.00 2.64 2.49 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 0.00 0.00 0.00 0.00 198 V 9.21 4.71 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 1.16 0.00 0.00 1.02 0.00 0.00 199 N 9.01 4.97 0.00 2.98 2.64 0.00 0.00 6.38 7.52 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 0.00 200 L 8.81 4.40 0.00 1.65 1.29 0.36 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 201 V 8.37 4.65 2.07 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 0.95 0.00 0.00 0.91 0.00 0.00 202 V 9.01 4.85 2.17 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 0.92 0.00 0.00 0.85 0.00 0.00 203 K 9.57 5.42 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.39 7.81 204 F 8.76 5.58 0.00 3.33 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 0.00 205 R 9.07 5.07 0.00 2.05 1.98 0.00 2.80 0.00 0.00 3.37 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 206 E 9.14 4.36 0.00 1.85 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 2.26 2.44 0.00 207 R 8.57 4.10 0.00 1.87 1.80 0.00 3.17 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 208 R 8.32 4.18 0.00 1.77 1.73 0.00 3.28 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.