NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 3.9431 8.0549 120.3680 62.3926 33.4542 174.7330 5 T 4.4590 7.4982 115.2113 61.2869 70.1758 172.2182 6 K 4.8033 8.3440 125.3032 54.3437 37.0026 174.9064 7 S 5.6582 9.2367 116.9214 56.7356 66.4085 173.3360 8 V 5.0964 9.3783 121.3759 60.1376 34.8332 173.5585 9 L 4.5795 8.3055 126.6602 53.0341 44.2639 174.7917 10 F 4.8249 8.7954 125.3340 56.1699 41.1280 175.0248 11 V 5.1578 9.1296 122.8646 60.3451 34.9709 174.2062 12 C 5.2244 8.1064 120.9595 57.2612 33.0075 173.4555 13 L 3.7477 8.8022 119.2268 58.3705 41.9717 179.9800 14 G 3.7135 8.0651 104.5895 44.5860 0.0000 172.6093 15 N 4.2836 8.3667 116.8698 54.5623 37.1088 175.0499 16 I 4.5227 7.7252 109.2216 60.2199 39.4678 175.2211 17 C 4.7740 7.8952 115.7147 61.5676 30.6941 176.0890 18 R 3.9404 7.7547 118.0134 59.2415 29.5428 179.1850 19 S 4.0769 7.9138 113.4213 60.8463 63.0945 174.2237 20 P 4.1844 0.0000 0.0000 65.6759 31.0577 178.5101 21 I 3.7210 7.3750 117.7269 64.2580 37.1025 178.2613 22 A 3.5753 7.8248 121.6107 54.9117 18.0482 179.2543 23 E 3.4332 7.9973 117.7888 59.3325 29.7516 179.0019 24 A 3.9766 7.7193 120.2974 54.9275 18.4180 179.8241 25 V 3.4904 7.7543 116.9135 66.0862 31.6036 178.1287 26 F 4.0329 8.0312 120.4320 61.1438 39.2225 177.0656 27 R 3.8088 8.2312 118.5426 59.1463 29.8623 178.3787 28 K 3.8406 8.0477 119.3816 59.3211 32.2321 178.3047 29 L 3.7701 7.6676 120.4909 58.3945 41.9610 179.2867 30 V 3.3815 7.3255 117.8520 65.9207 31.2028 178.2116 31 T 3.8482 7.8275 115.7271 66.7303 68.1100 176.4332 32 D 4.3700 8.2344 119.9329 57.2242 40.9103 178.0396 33 Q 4.2290 7.9526 115.5259 55.1388 29.0687 175.4103 34 N 4.2833 8.3741 117.0859 54.6270 36.7488 174.5546 35 I 4.7127 7.9117 107.9479 60.4740 38.7476 177.3394 36 S 4.2367 8.2614 118.2578 61.8775 62.9270 176.1093 37 D 4.4363 8.1432 120.1450 57.2747 40.8284 176.7066 38 N 4.6954 8.5760 115.0154 53.4272 38.6266 174.1272 39 W 5.6261 8.0570 118.0876 54.9548 32.9768 174.7089 40 V 4.4849 9.1072 125.0594 61.4871 32.7126 174.3815 41 I 5.3773 8.6474 128.3541 59.9097 40.1198 174.2013 42 D 5.1447 9.1761 124.8820 53.4448 45.4577 173.4667 43 S 5.1424 8.4654 114.0674 56.9141 66.2427 173.0933 44 G 4.2633 8.9018 107.2823 45.2155 0.0000 170.8799 45 A 4.9982 8.5094 121.0392 49.9439 21.3810 178.1370 46 V 3.5427 8.3800 121.5697 65.5975 32.1338 176.5740 47 S 4.3495 7.3852 113.8705 56.6446 64.9936 173.8374 48 D 4.7555 7.8109 116.0245 52.7876 39.5196 178.1722 49 W 4.3974 7.6943 121.1518 59.6471 29.2928 176.5353 50 N 4.9835 8.0536 112.9820 52.4995 38.9361 173.9637 51 V 3.7916 7.3020 118.7842 65.0495 31.6573 176.5404 52 G 3.9910 9.2555 116.1777 45.2097 0.0000 173.4819 53 R 4.4802 7.8699 119.2849 54.6552 31.5718 176.4043 54 S 4.9530 8.1454 114.9165 56.0603 64.2945 172.1158 55 P 4.4357 0.0000 0.0000 62.1564 31.8429 176.1321 56 D 4.5041 8.7779 120.3534 54.0306 41.8689 175.6533 57 P 4.2120 0.0000 0.0000 66.1548 31.2487 179.2144 58 R 3.5358 8.0323 116.3539 58.6815 29.7118 179.0507 59 A 4.0270 7.6955 120.7688 55.1575 18.4278 179.8456 60 V 3.5361 7.6339 116.3052 66.3168 31.7482 178.2926 61 S 4.0616 8.2725 115.2321 61.4330 62.7547 176.2150 62 C 4.0105 7.9745 121.4606 62.4551 31.3240 175.6568 63 L 4.0623 7.9746 120.4812 58.0193 41.1666 179.8535 64 R 4.2278 8.4236 119.4960 58.1964 29.7336 177.8266 65 N 4.7029 7.6331 114.1017 53.5108 37.6433 175.0700 66 H 4.5826 7.2295 116.2716 55.6717 29.1383 175.2815 67 G 3.9215 8.3447 107.2325 45.6537 0.0000 173.9496 68 I 4.5029 7.7218 120.5494 59.5890 39.1664 174.4852 69 N 5.1302 8.2763 118.9479 52.0786 42.5793 173.6622 70 T 4.6789 8.1632 112.2092 60.9598 70.3592 173.0822 71 A 4.7661 8.3804 128.6183 52.0343 19.4770 175.7924 72 H 4.6137 7.9624 119.8584 57.4638 31.2320 174.1367 73 K 4.8445 8.0900 123.0236 54.0309 35.0793 175.8651 74 A 5.0929 9.2882 126.3086 51.9471 19.5476 176.7832 75 R 4.9038 8.6781 116.8443 54.5519 33.6087 173.6497 76 Q 4.8591 8.4244 120.6860 54.4605 30.7454 175.3790 77 V 4.0030 8.5273 125.6805 63.2580 32.7004 174.9968 78 T 4.8123 8.7483 115.4659 58.8244 72.3877 174.9557 79 K 4.2283 8.8184 119.9680 60.0091 31.9283 179.2279 80 E 4.0665 7.8616 118.2609 59.6698 29.4386 179.2007 81 D 4.6225 8.0663 118.3193 57.2234 40.7284 178.3812 82 F 4.3862 8.0723 116.9520 59.1015 38.7534 177.0827 83 V 4.0440 7.7831 117.1664 64.1002 32.2793 176.9214 84 T 4.1218 7.8566 107.6369 61.8363 69.8235 174.8133 85 F 4.5976 7.4026 119.3937 56.2695 40.6067 175.5981 86 D 4.4482 9.0502 124.7685 56.7706 42.0075 176.1479 87 Y 5.1713 8.3415 114.9701 56.0338 42.1683 174.9553 88 I 4.6129 9.0247 124.3327 59.4985 40.4015 174.3644 89 L 5.1255 8.3832 128.2137 53.0798 43.8538 175.7605 90 C 5.6597 8.8189 118.7709 56.0930 32.8724 174.1752 91 M 4.4342 8.6739 116.8388 56.7836 33.5551 176.2060 92 D 5.0164 7.7866 116.3614 50.6536 42.9968 175.5658 93 E 4.0662 8.6844 117.0247 59.3303 29.5114 179.0576 94 S 4.1789 8.1520 114.9378 61.1642 63.1836 176.0588 95 N 4.2791 8.6946 120.3938 56.0507 38.2257 177.0162 96 L 3.9547 7.8104 121.6740 58.0965 42.1586 179.1462 97 R 3.9025 8.0809 117.9277 59.5798 30.0029 178.8370 98 D 4.3673 8.2640 118.5902 57.3737 40.8041 178.9485 99 L 4.1591 8.2022 119.6300 57.7335 41.7499 179.2139 100 N 4.3915 8.3327 117.9910 55.6186 38.2650 177.2666 101 R 3.7991 7.7809 118.7646 59.4183 30.5024 178.0571 102 K 3.9689 8.1986 119.7812 59.5322 32.0645 178.8436 103 S 3.0498 7.9888 114.4970 60.7124 62.6090 176.0881 104 N 4.2918 7.4916 119.0098 55.6983 38.2511 176.2207 105 Q 4.2600 7.6083 117.4280 56.2959 28.8855 176.7363 106 V 4.0897 7.5414 119.7783 61.9473 33.0344 173.9415 107 K 3.4435 8.5031 119.0864 57.5281 31.6524 174.5472 108 N 4.1481 8.7263 120.3620 54.3583 35.3259 174.4601 109 C 4.3629 7.9130 117.4109 59.5194 32.6950 172.9487 110 R 4.2353 8.8391 125.7582 57.7960 30.6441 177.2082 111 A 4.4024 7.8629 119.2815 51.7466 19.3272 177.4072 112 K 4.2595 8.6699 122.2926 56.0353 33.5878 175.9934 113 I 5.0068 8.3791 125.7595 59.8242 38.8324 174.8247 114 E 4.8340 8.9446 125.1759 54.6737 34.8977 174.7051 115 L 4.4842 8.4424 121.5942 54.4179 42.7711 178.1626 116 L 4.0653 9.1980 126.0567 58.3165 42.0908 179.5331 117 G 4.0968 8.1551 106.1891 46.9408 0.0000 175.1729 118 S 4.1195 7.7544 116.4780 61.2435 62.8220 175.2105 119 Y 4.5554 7.8202 116.7179 56.5670 38.4694 175.1672 120 D 4.4843 7.7682 122.1633 53.4970 41.6815 175.2079 121 P 4.3847 0.0000 0.0000 65.7203 31.5157 177.1323 122 Q 4.2755 8.3452 114.3577 55.2258 28.5648 175.6113 123 K 3.8028 8.2687 115.9637 57.3415 30.0659 176.0652 124 Q 4.2567 8.0327 119.5678 54.7626 27.4377 176.4634 125 L 4.0037 8.4033 126.0953 56.8913 42.6379 176.5637 126 I 4.6729 6.9951 115.8161 59.4134 39.1351 175.6057 127 I 4.4177 8.4898 128.5293 59.8480 37.7805 175.4685 128 E 4.3053 8.6286 127.0860 55.2881 30.6605 176.5230 129 D 4.2830 8.7014 123.0981 54.2390 41.5986 174.0732 130 P 4.5118 0.0000 0.0000 62.6185 31.9266 176.6567 131 Y 4.2126 8.1018 121.5830 61.2186 38.5934 176.5540 132 Y 4.5896 7.9993 114.3618 57.7432 38.7698 176.1385 133 G 4.2979 8.0748 111.0485 45.0792 0.0000 171.6617 134 N 5.2350 9.1832 119.4923 50.2545 41.0349 175.0017 135 D 4.4855 8.9235 116.5630 57.8335 40.5743 178.8335 136 A 4.1016 7.8849 119.6363 55.4507 18.3226 179.4693 137 D 4.3029 8.4880 117.4057 57.4835 40.7613 178.9849 138 F 3.9959 8.2956 118.0252 60.3405 38.8950 177.1634 139 E 4.0914 8.5542 119.1133 59.6056 29.4450 178.8978 140 T 3.8878 8.3135 116.1727 66.6923 68.4201 176.7094 141 V 3.5421 7.9156 120.0661 65.9532 31.4944 177.2367 142 Y 3.9342 8.4004 119.6545 60.9441 38.6877 178.2288 143 Q 3.8858 8.4184 118.8443 59.1473 28.7656 179.0221 144 Q 3.9775 8.1831 118.9361 59.1505 28.6649 178.6207 145 C 3.9778 8.1443 117.9362 62.5934 28.0706 176.2209 146 V 3.3765 7.4323 119.7946 66.0239 30.9266 178.2538 147 R 3.8959 7.6236 116.9927 59.5790 29.8789 178.9681 148 C 4.2682 8.3436 116.7119 63.1095 28.1468 176.0308 149 C 4.2902 8.4507 118.7351 62.7534 27.5461 176.3570 150 R 3.8987 8.2177 119.5323 59.3511 29.8331 179.0539 151 A 4.0598 7.8635 120.5912 54.9032 18.3790 179.3785 152 F 3.4492 8.4808 119.6172 61.2345 39.1576 177.1302 153 L 3.7362 7.8309 118.6057 58.0337 41.9158 178.1977 154 E 4.0384 7.7127 118.3889 59.1776 29.6414 178.5983 155 K 4.4055 7.6267 117.0773 57.5457 32.5899 177.8477 156 V 4.0507 7.1147 112.6762 59.8825 31.6982 176.2699 157 R 4.2406 8.2430 121.5682 56.1302 30.6151 176.1295 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 V 8.05 3.94 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 0.94 0.00 0.00 0.88 0.00 0.00 5 T 7.50 4.46 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 1.14 0.00 0.00 6 K 8.34 4.80 0.00 0.79 1.27 0.00 1.40 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.07 0.79 7.81 7 S 9.24 5.66 0.00 3.75 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 8 V 9.38 5.10 2.35 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 0.56 0.00 0.00 -0.04 0.00 0.00 9 L 8.31 4.58 0.00 0.27 0.73 0.46 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.80 4.82 0.00 2.86 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 9.13 5.16 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 1.13 0.00 0.00 0.74 0.00 0.00 12 C 8.11 5.22 0.00 2.94 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 13 L 8.80 3.75 0.00 1.77 1.67 0.76 1.15 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 14 G 8.07 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 15 N 8.37 4.28 0.00 3.00 2.85 0.00 0.00 7.19 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.73 4.52 2.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.15 0.99 0.00 0.00 17 C 7.90 4.77 0.00 3.02 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 18 R 7.75 3.94 0.00 1.82 1.92 0.00 3.09 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 19 S 7.91 4.08 0.00 4.13 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 0.00 20 P 0.00 4.18 0.00 2.20 2.18 0.00 3.60 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.22 0.00 21 I 7.38 3.72 2.08 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.05 0.97 0.00 0.00 22 A 7.82 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.00 3.43 0.00 2.00 2.03 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 2.33 2.44 0.00 24 A 7.72 3.98 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 25 V 7.75 3.49 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 0.82 0.00 0.00 0.81 0.00 0.00 26 F 8.03 4.03 0.00 3.04 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 27 R 8.23 3.81 0.00 2.14 2.11 0.00 3.18 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 28 K 8.05 3.84 0.00 1.92 1.87 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.40 1.43 7.81 29 L 7.67 3.77 0.00 1.80 1.44 0.76 0.59 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 30 V 7.33 3.38 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 0.84 0.00 0.00 -0.01 0.00 0.00 31 T 7.83 3.85 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 1.20 0.00 0.00 32 D 8.23 4.37 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 7.95 4.23 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 34 N 8.37 4.28 0.00 2.85 2.90 0.00 0.00 6.68 7.21 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 35 I 7.91 4.71 2.14 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.19 1.02 0.00 0.00 36 S 8.26 4.24 0.00 4.08 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 37 D 8.14 4.44 0.00 2.72 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 38 N 8.58 4.70 0.00 2.78 2.83 0.00 0.00 6.65 8.43 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 39 W 8.06 5.63 0.00 3.21 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 9.11 4.48 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 1.00 0.00 0.00 0.95 0.00 0.00 41 I 8.65 5.38 2.11 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.23 1.27 0.00 0.00 42 D 9.18 5.14 0.00 3.04 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.47 5.14 0.00 3.93 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 44 G 8.90 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.51 5.00 1.25 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 46 V 8.38 3.54 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 0.75 0.00 0.00 0.89 0.00 0.00 47 S 7.39 4.35 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 7.81 4.76 0.00 2.89 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 49 W 7.69 4.40 0.00 3.40 3.08 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 50 N 8.05 4.98 0.00 2.87 2.80 0.00 0.00 6.76 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 51 V 7.30 3.79 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 0.73 0.00 0.00 0.94 0.00 0.00 52 G 9.26 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 53 R 7.87 4.48 0.00 2.04 1.87 0.00 3.16 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 1.61 1.64 0.00 54 S 8.15 4.95 0.00 3.99 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 55 P 0.00 4.44 0.00 2.09 2.08 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 56 D 8.78 4.50 0.00 2.79 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 57 P 0.00 4.21 0.00 2.11 2.05 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 58 R 8.03 3.54 0.00 0.74 0.66 0.00 2.93 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.36 0.00 59 A 7.70 4.03 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 60 V 7.63 3.54 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 1.04 0.00 0.00 0.93 0.00 0.00 61 S 8.27 4.06 0.00 3.78 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 62 C 7.97 4.01 0.00 3.11 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 63 L 7.97 4.06 0.00 1.88 1.86 0.96 0.96 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 64 R 8.42 4.23 0.00 1.96 1.94 0.00 3.24 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 65 N 7.63 4.70 0.00 2.77 2.81 0.00 0.00 6.84 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 66 H 7.23 4.58 0.00 3.06 3.21 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.34 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 68 I 7.72 4.50 2.04 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.96 0.95 0.00 0.00 69 N 8.28 5.13 0.00 2.65 2.67 0.00 0.00 6.66 7.54 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 70 T 8.16 4.68 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 71 A 8.38 4.77 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 7.96 4.61 0.00 3.27 3.19 0.00 5.73 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.09 4.84 0.00 1.57 1.63 0.00 1.99 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.33 7.81 74 A 9.29 5.09 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 75 R 8.68 4.90 0.00 1.83 1.97 0.00 2.96 0.00 0.00 3.29 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 76 Q 8.42 4.86 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 7.01 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 77 V 8.53 4.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.83 0.00 0.00 78 T 8.75 4.81 4.34 0.00 0.00 0.00 0.00 0.00 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 79 K 8.82 4.23 0.00 1.95 2.01 0.00 1.61 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.67 7.81 80 E 7.86 4.07 0.00 2.15 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 0.00 2.35 2.43 0.00 81 D 8.07 4.62 0.00 2.56 2.44 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 82 F 8.07 4.39 0.00 3.24 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 83 V 7.78 4.04 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.99 0.00 0.00 84 T 7.86 4.12 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 1.21 0.00 0.00 85 F 7.40 4.60 0.00 3.19 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 86 D 9.05 4.45 0.00 2.82 2.34 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.34 5.17 0.00 3.02 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 9.02 4.61 1.81 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.95 0.73 0.00 0.00 89 L 8.38 5.13 0.00 1.01 1.31 -0.60 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 90 C 8.82 5.66 0.00 2.97 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 91 M 8.67 4.43 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.84 0.00 92 D 7.79 5.02 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 93 E 8.68 4.07 0.00 2.18 2.25 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 2.36 2.31 0.00 94 S 8.15 4.18 0.00 4.09 4.18 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 95 N 8.69 4.28 0.00 2.93 2.88 0.00 0.00 6.55 6.45 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 96 L 7.81 3.95 0.00 1.93 1.80 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.08 3.90 0.00 2.14 1.96 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 98 D 8.26 4.37 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.20 4.16 0.00 1.90 1.93 0.92 0.61 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 0.00 100 N 8.33 4.39 0.00 2.97 2.83 0.00 0.00 6.28 7.40 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 0.00 101 R 7.78 3.80 0.00 1.78 2.11 0.00 3.25 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 102 K 8.20 3.97 0.00 2.08 1.93 0.00 2.13 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.50 7.81 103 S 7.99 3.05 0.00 3.63 3.30 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 0.00 104 N 7.49 4.29 0.00 2.88 2.86 0.00 0.00 7.03 6.99 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 0.00 105 Q 7.61 4.26 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.74 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 106 V 7.54 4.09 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 0.91 0.00 0.00 0.94 0.00 0.00 107 K 8.50 3.44 0.00 1.87 1.76 0.00 1.85 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.47 7.81 108 N 8.73 4.15 0.00 2.88 2.92 0.00 0.00 7.10 7.66 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 0.00 109 C 7.91 4.36 0.00 2.90 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.84 4.24 0.00 1.95 1.94 0.00 3.39 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 111 A 7.86 4.40 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 0.00 112 K 8.67 4.26 0.00 1.79 1.84 0.00 1.05 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.51 1.45 7.81 113 I 8.38 5.01 1.92 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.67 0.96 0.00 0.00 114 E 8.94 4.83 0.00 2.00 1.84 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 2.34 2.45 0.00 115 L 8.44 4.48 0.00 1.70 1.59 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 116 L 9.20 4.07 0.00 1.86 1.68 0.89 0.70 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 0.00 117 G 8.16 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 0.00 0.00 0.00 118 S 7.75 4.12 0.00 3.53 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 7.82 4.56 0.00 3.04 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 D 7.77 4.48 0.00 2.80 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 P 0.00 4.38 0.00 2.10 2.12 0.00 3.75 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 122 Q 8.35 4.28 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 123 K 8.27 3.80 0.00 1.82 1.86 0.00 1.58 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.42 7.81 124 Q 8.03 4.26 0.00 2.30 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 125 L 8.40 4.00 0.00 1.71 1.66 0.93 0.80 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 0.00 126 I 7.00 4.67 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 1.23 1.03 0.91 0.00 0.00 127 I 8.49 4.42 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.53 0.87 0.00 0.00 128 E 8.63 4.31 0.00 1.83 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 2.30 2.30 0.00 129 D 8.70 4.28 0.00 2.67 2.67 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 0.00 130 P 0.00 4.51 0.00 1.01 1.80 0.00 3.63 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.39 0.00 131 Y 8.10 4.21 0.00 2.94 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 0.00 132 Y 8.00 4.59 0.00 3.08 2.87 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 0.00 133 G 8.07 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 0.00 134 N 9.18 5.24 0.00 2.94 2.97 0.00 0.00 7.39 8.74 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 0.00 135 D 8.92 4.49 0.00 2.74 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 0.00 136 A 7.88 4.10 1.44 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 0.00 0.00 137 D 8.49 4.30 0.00 2.87 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.30 4.00 0.00 3.35 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 0.00 139 E 8.55 4.09 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 140 T 8.31 3.89 4.42 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 1.22 0.00 0.00 141 V 7.92 3.54 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.86 0.00 0.00 142 Y 8.40 3.93 0.00 3.17 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 0.00 143 Q 8.42 3.89 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.76 2.64 0.00 144 Q 8.18 3.98 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 145 C 8.14 3.98 0.00 2.86 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 0.00 146 V 7.43 3.38 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 0.94 0.00 0.00 0.33 0.00 0.00 147 R 7.62 3.90 0.00 2.03 1.97 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 148 C 8.34 4.27 0.00 2.94 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 0.00 149 C 8.45 4.29 0.00 3.03 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 0.00 150 R 8.22 3.90 0.00 1.86 1.98 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 151 A 7.86 4.06 1.45 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 0.00 0.00 152 F 8.48 3.45 0.00 2.45 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 0.00 153 L 7.83 3.74 0.00 1.78 1.64 0.83 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 154 E 7.71 4.04 0.00 2.07 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 2.32 2.50 0.00 155 K 7.63 4.41 0.00 1.85 1.96 0.00 2.04 0.00 0.00 1.82 0.00 0.00 3.29 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.82 7.81 156 V 7.11 4.05 1.92 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 0.01 0.00 0.00 0.31 0.00 0.00 157 R 8.24 4.24 0.00 1.74 1.79 0.00 3.28 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00