NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.3538 8.3144 120.0116 56.4380 34.2732 174.1400 5 T 4.3497 7.4259 112.2845 60.7938 70.2624 171.9141 6 C 4.8568 9.1390 121.9858 57.4340 42.9938 172.9163 7 D 5.0197 9.0692 123.0076 52.5873 43.1187 176.4346 8 L 5.3033 8.4627 123.7504 53.8300 42.9487 176.9728 9 V 3.9296 8.2865 111.2861 62.5778 32.7925 177.1168 *16 S 4.1942 7.7559 113.7690 57.8285 63.7213 173.8019 17 E 3.9602 8.6401 128.5977 59.5216 29.4248 179.3659 18 K 3.9589 8.0423 118.0065 59.6346 32.0699 179.2470 19 Q 3.9527 7.8051 118.0125 58.9348 28.6069 178.7468 20 L 3.9888 7.9760 119.8394 57.6972 41.6000 179.4661 21 A 4.0031 8.1550 120.7904 55.0570 18.0760 179.7016 22 L 3.9444 7.6879 116.6199 57.8551 42.0039 179.3491 23 L 4.2436 8.1443 119.0482 57.7358 41.5908 179.3493 24 K 3.8688 8.2273 119.5574 59.7112 31.8907 178.7473 25 R 3.9149 7.9030 117.4914 58.7866 30.2786 177.4828 26 L 4.3340 7.7994 117.0467 55.0139 41.9695 178.3319 27 T 2.0000 7.1386 117.6263 65.5611 68.1855 173.9274 28 P 4.2595 0.0000 0.0000 64.8768 31.4975 177.4240 29 L 4.3989 8.1316 118.8135 56.0575 41.7084 178.3577 30 F 4.8331 7.5714 119.2199 60.0928 39.0414 176.7157 31 Q 4.0850 8.0080 113.7808 57.1833 28.9021 176.3211 32 K 4.1261 7.5493 117.8894 55.3367 33.2554 175.8629 33 S 4.1626 7.4911 113.8185 56.5526 65.2826 172.7444 34 F 5.0775 8.7161 125.8672 55.6789 41.3682 174.1881 35 E 5.5077 8.9228 123.3284 54.9150 33.1953 175.1230 36 S 4.6249 9.2414 118.3200 58.1269 66.1380 173.3757 37 T 5.1231 8.7448 124.5570 62.8802 69.8865 174.4887 38 V 4.4480 9.4320 118.1534 61.1573 37.1051 175.1006 39 G 4.1896 9.0176 108.2735 45.5654 0.0000 172.6503 40 Q 4.5543 8.0266 116.3322 53.4959 31.2407 175.9899 41 S 4.4444 8.6918 119.0888 58.4538 63.3670 172.7991 42 P 4.5325 0.0000 0.0000 63.6262 30.6289 176.2247 43 D 4.4417 7.7953 118.0312 54.3307 41.6345 175.4115 44 M 4.3564 7.5944 119.9680 55.1634 33.4347 174.2924 45 Y 5.3820 9.1105 123.9115 56.1834 42.2181 174.4760 46 S 5.1230 9.1094 117.3257 56.8856 65.1949 172.1219 47 Y 5.2551 9.4261 125.6250 56.4543 40.3278 174.7486 48 V 5.0447 8.8498 124.0540 61.1135 34.2083 173.9515 49 F 5.4904 9.4142 130.0536 56.5492 42.2989 173.8351 50 R 4.4051 8.5432 123.2164 54.2576 34.6482 175.1850 51 V 3.9734 7.9831 121.2976 62.4459 31.6905 176.3669 52 C 3.5460 9.1678 124.1750 57.2918 38.1466 173.1384 53 R 3.9799 6.6654 116.0307 53.4517 33.6144 174.5040 54 E 4.1743 8.7430 120.6233 57.1609 29.5993 176.5712 55 A 4.3372 9.2870 129.8754 52.5427 19.9981 176.7867 56 G 4.0439 8.2848 105.0294 44.5071 0.0000 173.4098 57 Q 4.4367 8.6707 116.2855 56.1537 29.2155 176.2778 58 H 4.7668 8.0175 114.8072 54.8865 29.1581 174.5303 59 S 4.4044 8.1139 112.8137 59.7041 60.2303 172.9536 60 S 4.2614 7.5990 112.3198 58.3225 62.3541 174.2338 61 G 3.3155 9.1760 107.7973 46.6243 0.0000 173.1698 62 A 4.1829 8.1873 122.7792 51.7872 19.1723 179.2081 63 G 3.4340 8.9496 109.9021 46.9201 0.0000 173.4379 64 L 5.3225 7.6607 122.2217 54.1440 45.7074 174.6121 65 V 4.9258 9.0357 118.9459 59.5489 36.1258 174.1273 66 Q 4.6549 9.2734 124.8362 54.3834 31.4433 174.1047 67 I 4.7890 8.7650 128.4408 59.4685 39.6414 174.7210 68 Q 4.5984 9.0409 129.6435 55.8032 29.0473 176.7690 69 K 4.0490 8.7134 127.9544 59.3458 32.1037 179.1708 70 S 4.2503 8.2395 114.4582 60.5445 62.5556 174.4643 71 N 4.8314 7.7693 114.3906 51.3291 38.2490 175.2781 72 G 3.8140 8.6585 106.7272 45.8433 0.0000 173.8056 73 K 4.1067 7.4810 122.6927 56.2936 33.1188 175.1283 74 E 5.0037 8.8210 127.8862 54.9103 32.0006 174.2859 75 T 4.7451 8.7068 123.2068 61.5802 72.1600 173.2181 76 V 3.9356 8.8793 127.2354 62.7951 31.7345 176.7132 77 V 3.6244 9.1153 128.8332 65.1954 32.9533 175.7795 78 G 4.3048 7.7553 104.3691 45.2903 0.0000 172.3202 79 R 4.9669 8.6846 121.5517 53.6559 32.8576 176.8310 80 F 4.3123 7.7085 117.1331 57.3404 38.0260 176.8514 81 N 4.2165 7.6522 118.6581 56.1161 39.2236 174.3472 82 E 4.7183 8.2367 117.7562 54.2580 30.3335 174.2525 83 T 5.4072 9.0673 119.7590 61.8459 71.9788 173.3499 84 Q 4.6547 8.9445 122.6922 54.3015 33.2591 174.1420 85 I 4.9934 7.4655 121.4911 59.6131 41.3515 173.8955 86 F 5.0149 9.4018 126.6552 55.7069 43.5598 173.4741 87 Q 4.7704 8.8856 122.7566 54.5668 30.8096 175.4501 88 G 2.4269 7.5521 117.1332 43.4951 0.0000 172.9740 89 S 4.1177 8.0500 114.3083 61.3956 62.9167 175.8196 90 N 5.3177 7.7247 116.0163 50.8151 40.5193 173.7842 91 W 5.6844 7.4252 113.7422 55.6132 32.0138 172.9457 92 I 5.2324 9.4894 121.7543 59.9114 40.4859 174.0434 93 M 5.0602 9.7451 127.3404 53.9782 34.2125 174.0378 94 L 5.0879 8.9111 128.8293 53.3293 44.9085 174.8944 95 I 5.0492 8.9882 126.8638 59.6864 40.8859 173.9551 96 Y 5.4938 9.0511 124.2487 56.6159 40.7632 175.5744 97 K 4.5478 9.1257 124.9402 54.9940 35.5811 177.5650 98 G 3.9455 8.9178 107.7719 46.3195 0.0000 173.9099 99 G 4.0297 7.7484 107.3367 44.4960 0.0000 173.6879 100 D 4.6587 8.7615 119.7020 54.2528 41.8242 176.6351 101 E 4.7229 8.5872 121.3320 56.4827 30.5778 176.5142 102 Y 4.3317 8.7533 120.7960 58.3923 38.7765 176.5280 103 D 4.6867 8.9846 120.9436 55.7042 42.0233 177.4424 104 N 4.8057 8.1854 112.7500 54.7783 41.6879 174.6330 105 H 4.3247 8.1189 113.9781 55.5753 29.8662 175.0630 106 C 4.5116 8.7655 114.0600 57.2080 37.6300 174.2940 107 G 3.7149 8.8554 101.9270 46.3876 0.0000 174.2454 108 R 4.4888 8.5461 114.5464 55.9258 27.7968 176.4702 109 E 4.4710 8.0347 116.3489 55.8113 31.4282 175.7297 110 Q 4.2824 8.5409 118.9884 55.7605 29.6233 176.8701 111 R 4.3870 8.6316 122.0710 56.6744 31.7489 175.4415 112 R 5.3711 8.7765 118.8608 55.1044 34.1046 173.1318 113 A 5.5401 9.5863 126.3240 50.2151 22.2934 175.2560 114 V 4.6431 9.3408 122.2617 61.1100 34.5066 174.3632 115 V 4.7473 9.0330 128.8239 61.4130 34.0163 174.3320 116 M 4.5076 9.0205 129.1994 54.5457 33.1638 175.8613 117 I 4.6372 9.0796 127.3197 60.1889 38.4426 175.5374 118 S 5.0397 8.7800 124.0831 57.0552 64.9322 173.3977 119 C 4.8600 8.6909 123.5722 57.2025 39.9696 173.1441 120 N 4.6489 8.4993 124.1209 53.0240 40.2385 175.0355 121 R 3.9509 8.7133 126.7906 59.2506 30.3796 177.6881 122 H 4.7154 8.1161 112.9703 56.6154 29.3021 174.9999 123 T 4.6912 7.3043 113.6110 60.3570 70.5133 174.0601 124 L 3.9050 9.0369 128.4922 57.1947 42.5460 176.7698 125 A 4.7821 7.4826 115.6753 52.4084 22.7282 174.6369 126 D 4.4796 8.3373 120.9163 54.5857 43.7762 174.1271 127 N 4.4715 8.6200 115.3571 54.1592 35.6142 174.4157 128 F 4.8731 8.4023 119.7766 58.4210 40.4788 173.5915 129 N 4.5274 8.1184 123.1690 51.3849 43.3730 172.3498 130 P 4.1521 0.0000 0.0000 62.7873 31.7723 175.9662 131 V 4.0257 7.9395 122.4701 63.9809 33.4237 175.3925 132 S 4.3912 6.7498 111.9419 57.7048 65.7775 174.5359 133 E 4.4112 8.4227 123.4477 54.0815 31.8101 174.9506 134 E 4.0055 8.4506 130.5269 54.6703 29.9709 176.0384 135 R 4.3721 8.1412 122.4938 55.6734 30.0782 176.1486 136 G 3.8841 8.6623 105.3814 46.0446 0.0000 173.9472 137 M 4.5313 7.3474 119.6155 53.3390 34.1039 177.5070 138 V 3.6958 8.1938 113.5967 64.2127 31.9698 176.2947 139 Q 4.6677 7.7242 114.1513 56.7681 30.8499 172.6066 140 D 4.4856 9.0227 114.7009 55.7936 37.8289 175.0906 141 C 4.9252 8.9464 116.9416 56.8194 39.1863 173.0738 142 F 5.1104 8.2686 112.1247 56.9832 41.1210 172.4049 143 Y 4.5780 8.9609 118.7566 56.5073 39.9257 174.2733 144 L 5.1761 8.6230 126.6138 53.4612 44.5265 175.1564 145 F 5.2857 9.3343 124.0197 55.7183 43.9422 173.1990 146 E 5.2234 8.7834 116.7920 55.5657 33.4604 173.9467 147 M 4.9313 8.2907 116.4248 55.9431 36.5609 173.1874 148 D 5.4648 8.6871 124.4386 53.3595 44.0137 175.4932 149 S 5.2390 8.8240 112.9889 58.4007 66.1869 176.6123 150 S 4.5067 8.9359 121.3467 60.6292 63.0411 176.3475 151 L 4.1121 7.6475 119.6689 56.7761 41.6874 177.6404 152 A 4.3643 7.8344 120.8865 52.9595 19.2738 176.5909 153 C 4.7188 7.8676 114.5582 56.2646 40.9353 174.0033 154 S 4.2541 8.6795 117.7705 58.6562 62.5286 173.9850 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 4 K 8.31 4.35 0.00 1.87 2.00 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.43 7.81 5 T 7.43 4.35 4.14 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 0.00 0.00 1.21 0.00 0.00 6 C 9.14 4.86 0.00 2.90 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 7 D 9.07 5.02 0.00 2.82 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 8 L 8.46 5.30 0.00 1.54 1.63 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.29 3.93 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 0.72 0.00 0.00 0.96 0.00 0.00 *16 S 7.76 4.19 0.00 3.91 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 17 E 8.64 3.96 0.00 2.02 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 2.40 2.35 0.00 18 K 8.04 3.96 0.00 1.79 1.85 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.54 7.81 19 Q 7.81 3.95 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 20 L 7.98 3.99 0.00 1.87 1.73 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.15 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.69 3.94 0.00 1.83 1.75 0.90 0.89 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 23 L 8.14 4.24 0.00 1.95 1.88 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.23 3.87 0.00 1.96 2.03 0.00 1.49 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.47 7.81 25 R 7.90 3.91 0.00 1.92 2.13 0.00 3.30 0.00 0.00 3.35 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 26 L 7.80 4.33 0.00 2.03 1.80 1.04 0.60 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 27 T 7.14 2.00 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 0.89 0.00 0.00 28 P 0.00 4.26 0.00 2.16 2.09 0.00 3.57 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 1.90 1.98 0.00 29 L 8.13 4.40 0.00 1.87 1.96 1.00 1.16 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 30 F 7.57 4.83 0.00 2.92 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 31 Q 8.01 4.09 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 32 K 7.55 4.13 0.00 1.42 0.89 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.29 7.81 33 S 7.49 4.16 0.00 3.60 3.48 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 34 F 8.72 5.08 0.00 2.73 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 35 E 8.92 5.51 0.00 2.03 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 0.00 2.27 2.47 0.00 36 S 9.24 4.62 0.00 4.24 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 37 T 8.74 5.12 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 1.26 0.00 0.00 38 V 9.43 4.45 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 0.73 0.00 0.00 1.31 0.00 0.00 39 G 9.02 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 0.00 0.00 0.00 0.00 40 Q 8.03 4.55 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.92 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 41 S 8.69 4.44 0.00 3.81 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 42 P 0.00 4.53 0.00 2.14 2.11 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 43 D 7.80 4.44 0.00 2.67 2.62 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 44 M 7.59 4.36 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.54 0.00 45 Y 9.11 5.38 0.00 2.84 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 0.00 0.00 0.00 0.00 46 S 9.11 5.12 0.00 3.86 3.71 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 47 Y 9.43 5.26 0.00 3.33 3.22 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 48 V 8.85 5.04 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 0.94 0.00 0.00 1.00 0.00 0.00 49 F 9.41 5.49 0.00 2.41 1.53 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.54 4.41 0.00 1.62 1.48 0.00 3.06 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.39 0.00 51 V 7.98 3.97 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 1.27 0.00 0.00 0.89 0.00 0.00 52 C 9.17 3.55 0.00 1.62 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 6.67 3.98 0.00 1.42 1.51 0.00 3.20 0.00 0.00 2.77 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.52 0.00 54 E 8.74 4.17 0.00 2.00 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 0.00 2.30 2.52 0.00 55 A 9.29 4.34 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 56 G 8.28 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 0.00 0.00 0.00 57 Q 8.67 4.44 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.21 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 58 H 8.02 4.77 0.00 3.14 3.25 0.00 5.77 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.11 4.40 0.00 3.96 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 60 S 7.60 4.26 0.00 3.78 3.80 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 61 G 9.18 3.32 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 0.00 0.00 0.00 62 A 8.19 4.18 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.95 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.66 5.32 0.00 1.99 1.58 -0.12 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 65 V 9.04 4.93 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 0.75 0.00 0.00 1.01 0.00 0.00 66 Q 9.27 4.65 0.00 1.88 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 1.83 1.30 0.00 67 I 8.77 4.79 1.96 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 1.12 0.46 0.93 0.00 0.00 68 Q 9.04 4.60 0.00 2.36 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 69 K 8.71 4.05 0.00 1.65 1.85 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.51 7.81 70 S 8.24 4.25 0.00 3.95 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 71 N 7.77 4.83 0.00 2.87 3.01 0.00 0.00 6.21 7.84 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 72 G 8.66 3.81 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 0.00 73 K 7.48 4.11 0.00 2.08 1.73 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.40 7.81 74 E 8.82 5.00 0.00 2.11 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 2.29 2.32 0.00 75 T 8.71 4.75 4.14 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 0.00 0.00 1.11 0.00 0.00 76 V 8.88 3.94 2.28 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 0.96 0.00 0.00 0.89 0.00 0.00 77 V 9.12 3.62 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 0.61 0.00 0.00 0.63 0.00 0.00 78 G 7.76 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 0.00 0.00 0.00 0.00 79 R 8.68 4.97 0.00 1.58 1.54 0.00 3.14 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.52 0.00 80 F 7.71 4.31 0.00 2.88 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 81 N 7.65 4.22 0.00 2.34 2.74 0.00 0.00 6.85 7.65 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 82 E 8.24 4.72 0.00 2.11 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 2.22 2.23 0.00 83 T 9.07 5.41 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 84 Q 8.94 4.65 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 85 I 7.47 4.99 1.81 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.94 0.79 0.00 0.00 86 F 9.40 5.01 0.00 3.17 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 87 Q 8.89 4.77 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.85 0.00 0.00 0.00 0.00 0.00 2.03 2.21 0.00 88 G 7.55 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.05 4.12 0.00 3.74 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 90 N 7.72 5.32 0.00 2.62 2.78 0.00 0.00 7.14 7.68 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 91 W 7.43 5.68 0.00 3.45 3.14 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 0.00 0.00 0.00 92 I 9.49 5.23 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.70 1.07 0.00 0.00 93 M 9.75 5.06 0.00 2.48 2.10 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.64 0.00 94 L 8.91 5.09 0.00 1.79 1.41 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.99 5.05 1.99 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.02 1.04 0.00 0.00 96 Y 9.05 5.49 0.00 2.94 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 97 K 9.13 4.55 0.00 1.78 1.82 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.48 7.81 98 G 8.92 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.75 4.03 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 0.00 100 D 8.76 4.66 0.00 2.51 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 0.00 101 E 8.59 4.72 0.00 1.88 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 0.00 2.34 2.35 0.00 102 Y 8.75 4.33 0.00 3.04 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 0.00 103 D 8.98 4.69 0.00 2.75 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 0.00 104 N 8.19 4.81 0.00 2.67 2.75 0.00 0.00 6.95 8.16 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 0.00 105 H 8.12 4.32 0.00 2.50 2.76 0.00 5.96 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 C 8.77 4.51 0.00 2.84 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 0.00 107 G 8.86 3.71 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 0.00 0.00 0.00 108 R 8.55 4.49 0.00 2.02 2.17 0.00 3.15 0.00 0.00 3.16 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.55 0.00 109 E 8.03 4.47 0.00 2.17 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 0.00 2.69 2.54 0.00 110 Q 8.54 4.28 0.00 2.02 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.08 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 111 R 8.63 4.39 0.00 1.77 1.98 0.00 3.04 0.00 0.00 2.89 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.23 0.00 112 R 8.78 5.37 0.00 2.00 1.94 0.00 3.27 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 113 A 9.59 5.54 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 0.00 114 V 9.34 4.64 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.85 0.00 0.00 115 V 9.03 4.75 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 0.74 0.00 0.00 0.41 0.00 0.00 116 M 9.02 4.51 0.00 1.81 1.92 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 117 I 9.08 4.64 2.06 0.00 0.00 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 1.30 0.66 0.97 0.00 0.00 118 S 8.78 5.04 0.00 3.83 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 0.00 119 C 8.69 4.86 0.00 3.13 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 0.00 120 N 8.50 4.65 0.00 2.78 2.65 0.00 0.00 7.21 7.65 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 0.00 121 R 8.71 3.95 0.00 1.74 1.98 0.00 3.41 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 122 H 8.12 4.72 0.00 3.31 3.33 0.00 5.67 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 0.00 123 T 7.30 4.69 4.29 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 0.00 0.00 0.00 1.25 0.00 0.00 124 L 9.04 3.90 0.00 1.79 1.70 0.93 1.25 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 0.00 125 A 7.48 4.78 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 0.00 126 D 8.34 4.48 0.00 2.70 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 N 8.62 4.47 0.00 2.99 2.93 0.00 0.00 6.45 8.13 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 0.00 128 F 8.40 4.87 0.00 2.93 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.12 4.53 0.00 2.52 2.49 0.00 0.00 6.68 7.58 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 0.00 130 P 0.00 4.15 0.00 1.71 1.28 0.00 3.53 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.81 0.00 131 V 7.94 4.03 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 0.62 0.00 0.00 0.81 0.00 0.00 132 S 6.75 4.39 0.00 3.73 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.42 4.41 0.00 1.54 1.48 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 1.63 1.47 0.00 134 E 8.45 4.01 0.00 1.26 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 2.05 2.04 0.00 135 R 8.14 4.37 0.00 1.44 1.72 0.00 2.59 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.42 0.00 136 G 8.66 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 0.00 0.00 0.00 137 M 7.35 4.53 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.60 0.00 138 V 8.19 3.70 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 0.70 0.00 0.00 0.93 0.00 0.00 139 Q 7.72 4.67 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 140 D 9.02 4.49 0.00 2.93 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 0.00 141 C 8.95 4.93 0.00 3.04 3.19 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 0.00 142 F 8.27 5.11 0.00 3.13 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 0.00 143 Y 8.96 4.58 0.00 3.28 2.62 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 0.00 144 L 8.62 5.18 0.00 1.79 1.47 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 145 F 9.33 5.29 0.00 2.88 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 0.00 146 E 8.78 5.22 0.00 1.95 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 2.23 2.18 0.00 147 M 8.29 4.93 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.15 0.00 148 D 8.69 5.46 0.00 2.73 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 0.00 149 S 8.82 5.24 0.00 3.86 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.94 4.51 0.00 4.06 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 0.00 151 L 7.65 4.11 0.00 1.66 1.78 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.83 4.36 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 C 7.87 4.72 0.00 3.07 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 0.00 154 S 8.68 4.25 0.00 3.95 4.08 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.