NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2953 8.1733 122.0455 56.4823 34.1508 174.0124 2 Y 4.8637 8.5098 123.7449 56.1273 39.0978 174.9369 3 F 4.5878 10.0825 125.0838 57.1473 40.8805 175.0243 4 E 4.3252 8.9723 120.3897 55.5553 31.1025 176.8241 5 R 3.4632 9.0322 120.5492 60.8778 29.9495 179.4788 6 C 4.3433 8.0317 115.3471 59.6476 40.7270 175.7054 7 E 3.9183 8.1387 120.7774 59.2373 29.2792 178.5341 8 L 3.5994 7.9919 120.0871 57.8049 42.0424 178.4922 9 A 3.9406 7.9111 120.7601 55.5676 18.2575 179.9570 10 R 3.9047 8.0968 116.2833 59.4563 29.9528 179.4310 11 T 3.8737 7.8940 115.7225 66.6171 68.4592 176.7285 12 L 3.8451 8.2150 121.3385 57.4570 41.6397 179.4037 13 K 3.9058 8.1704 119.6945 59.6872 31.9406 179.1221 14 R 4.0029 8.1467 117.4894 58.8488 29.9992 178.0760 15 L 4.3535 7.3251 116.3420 54.2493 41.7083 177.0204 16 G 3.8462 7.8403 106.8909 46.9261 0.0000 175.0010 17 M 3.9513 7.7793 120.4240 56.0434 32.3937 175.7546 18 D 4.4132 7.9761 117.9806 55.5390 40.9141 175.5332 19 G 3.9406 9.4360 115.4695 45.6630 0.0000 171.2197 20 Y 4.2778 8.1943 121.6591 58.6178 38.9645 176.3643 21 R 3.5962 8.9087 126.5838 57.2537 27.8297 176.9004 22 G 3.8139 8.1558 102.1538 46.1335 0.0000 173.9571 23 I 4.1469 7.5930 121.7201 58.8638 38.1613 176.0158 24 S 4.6150 8.3338 120.1758 57.7412 63.8918 174.9123 25 L 4.2177 8.7839 122.8464 58.5839 41.7097 179.1727 26 A 4.1161 8.1530 120.1013 55.1855 18.3028 179.2628 27 N 4.4107 8.0943 115.0230 56.3479 38.5392 177.7050 28 W 4.2768 8.0385 119.9161 59.8878 29.1122 178.3612 29 M 4.1190 8.5245 119.0154 58.5999 31.4770 177.8913 30 C 3.1486 8.0446 118.7610 59.1267 44.5325 175.3390 31 L 3.9965 8.1356 121.5929 58.3056 41.7685 178.8316 32 A 4.2472 8.3875 122.2623 54.3463 18.2890 179.4652 33 K 3.0257 8.2818 118.2733 59.4388 32.1010 179.1748 34 W 4.3426 7.8706 117.2093 59.1500 29.0467 178.3208 35 E 4.3607 8.3400 118.8032 58.6306 29.2925 177.7052 36 S 4.4812 7.9420 109.1709 56.6977 64.8452 174.7630 37 G 3.5000 8.3298 108.8543 46.8697 0.0000 173.5462 38 Y 3.6397 7.7518 114.0544 58.5357 35.1854 168.2744 39 N 4.6139 7.3466 120.0161 51.7961 39.1333 175.8181 40 T 4.0194 8.6032 117.6206 64.0232 69.0544 175.9844 41 R 4.3274 7.8695 119.3388 55.8951 30.8257 176.3759 42 A 4.2770 7.5639 121.5069 52.6913 19.3389 176.9147 43 T 5.0686 8.2425 110.2996 60.3186 72.3908 173.0812 44 N 4.8472 8.6410 121.8203 52.5250 42.1243 172.4495 45 Y 4.6250 8.7711 128.1376 57.2918 40.8802 173.8759 46 N 4.7062 8.5125 124.7432 51.1437 38.7106 175.3116 47 A 3.7149 8.2597 127.5310 54.7017 19.0198 179.2282 48 G 3.7561 8.1283 104.3701 48.1980 0.0000 173.9595 49 D 4.7606 7.5825 115.4323 52.0153 39.9054 175.6792 50 R 3.9225 8.0260 115.8136 56.9314 28.2219 175.8499 51 S 4.9403 7.5017 112.3720 57.0560 66.4673 172.6343 52 T 5.1019 8.8132 115.4982 61.9717 72.8567 172.9780 53 D 5.3530 8.9536 125.6364 53.3532 43.0294 175.0697 54 Y 4.8154 9.2421 121.1012 57.3532 41.5093 177.6004 55 G 4.4852 8.8589 111.5384 45.7470 0.0000 173.6087 56 I 3.8387 8.0668 116.5079 62.8420 37.9575 178.0987 57 F 4.8431 7.8686 115.4661 56.3445 39.9393 175.1466 58 Q 3.6012 7.9782 119.1759 57.1164 26.6560 174.2911 59 I 4.3332 8.1330 118.9041 61.2403 39.1841 176.9647 60 N 5.3995 9.2128 126.0661 53.3661 39.7719 175.8382 61 S 4.6093 9.1665 120.4767 60.5017 63.3781 175.4670 62 R 3.7458 8.7441 122.3033 58.7602 30.2874 177.8189 63 Y 4.2516 7.7019 113.9849 57.3430 40.7007 176.8506 64 W 4.9928 8.1488 118.9510 57.7036 31.4689 173.9755 65 C 5.6294 8.1287 112.1507 53.6882 46.7380 172.3934 66 N 4.9069 9.1183 119.3934 51.9920 40.0652 174.7196 67 D 4.7686 8.7750 124.0003 52.2511 40.2240 177.2206 68 G 3.9544 8.4515 107.2116 46.2794 0.0000 174.5171 69 K 4.4887 8.1826 116.4001 56.5126 33.2206 175.7364 70 T 4.4348 7.7250 117.4092 61.2938 69.3486 172.2812 71 P 4.1476 0.0000 0.0000 64.1180 31.6229 176.3530 72 G 3.9173 8.6938 111.6416 46.3640 0.0000 173.0062 73 A 4.4129 7.3950 119.6244 51.1587 20.0078 177.7686 74 V 4.3093 8.4796 112.6893 59.2489 35.3400 176.1376 75 N 4.9370 7.9624 116.8019 51.9517 37.6330 174.4792 76 A 3.9397 8.9915 125.1062 54.9603 19.0873 178.4633 77 C 4.5718 8.5215 110.9737 57.2228 41.2601 173.0879 78 H 4.0160 7.9906 116.5255 56.3226 26.2060 174.2551 79 L 4.7485 8.6635 118.7134 52.9490 46.6438 176.6120 80 S 4.6371 8.4172 116.0923 58.0897 63.1902 175.9780 81 C 4.1027 8.6203 123.8672 59.6311 40.3437 176.3316 82 S 3.8668 7.8331 114.6908 61.3341 61.6338 175.9939 83 A 4.0460 7.7806 122.3617 54.3460 18.1853 177.9128 84 L 4.4534 7.9430 116.8742 55.0316 41.7452 177.5927 85 L 5.0567 7.9474 117.3447 54.5471 42.3808 176.6242 86 Q 4.4234 7.8466 117.5613 55.0644 29.7785 175.8821 87 D 4.3938 8.5586 120.1900 57.2234 41.1091 176.8455 88 N 4.5522 8.0355 118.1973 53.3110 39.2185 174.6306 89 I 4.2375 8.4474 118.7903 60.9447 37.9711 176.9680 90 A 3.9299 8.3553 124.8039 56.0275 18.1616 180.0899 91 D 4.2671 8.0813 116.4302 57.4353 40.8960 178.7397 92 A 4.0929 7.9615 120.9021 55.0658 18.3547 179.7576 93 V 3.3888 8.1768 116.9579 65.9088 31.5984 178.0585 94 A 3.8235 8.0901 120.7361 55.3762 18.1330 178.8618 95 C 4.2466 8.4159 116.7601 59.7074 38.1905 175.6009 96 A 3.9016 8.3280 122.8465 54.9794 17.6482 179.8416 97 K 3.8711 8.0120 117.3556 59.4440 31.8167 179.4224 98 R 3.9636 7.6236 117.9787 59.4310 30.1447 178.3228 99 V 2.7465 7.6104 118.0104 65.8302 31.3064 178.1420 100 V 3.8262 7.7262 110.1796 63.1167 31.2769 178.2984 101 R 4.0821 7.6611 117.6035 57.5852 30.4050 176.5712 102 D 4.6909 7.4289 119.0991 52.8605 41.8182 175.4527 103 P 4.1982 0.0000 0.0000 66.1732 31.4101 178.2773 104 Q 4.0021 8.1755 116.4307 56.7227 29.8932 177.2983 105 G 3.7995 7.9158 107.0906 46.5896 0.0000 175.5820 106 I 3.4351 7.8160 119.2127 63.7120 37.8786 178.0644 107 R 4.1832 7.1589 117.6493 57.6319 29.9602 177.3791 108 A 4.0161 7.6776 121.2640 54.1754 18.6123 177.6109 109 W 4.7187 8.0376 116.9769 55.2777 29.8268 177.3581 110 V 3.7375 8.7479 123.8651 66.0776 30.8708 177.5964 111 A 4.0768 8.3083 120.0989 54.8409 18.1239 179.2551 112 W 4.0525 8.5162 127.0533 60.5939 30.5513 178.5462 113 R 3.7911 8.2090 116.6836 59.2749 29.7158 178.2977 114 N 4.4088 8.3399 115.3985 55.6243 38.6905 176.2407 115 R 4.2520 7.8983 115.0373 55.7626 31.5492 175.5613 116 C 4.5712 7.2761 114.2361 57.4850 43.0439 174.2874 117 Q 3.0935 6.9374 120.5873 56.9519 28.8739 175.4168 118 N 4.1511 8.4680 121.5194 54.6891 36.3516 173.8999 119 R 4.5474 7.2842 113.9462 54.2059 33.6556 176.0548 120 D 4.5892 8.4598 119.5530 53.8397 40.1938 175.8067 121 V 4.5884 8.1110 118.2312 61.1038 32.3971 178.3114 122 R 4.0271 8.2072 122.6796 59.4670 30.0059 178.8199 123 Q 3.9959 8.2515 114.0171 59.4561 28.2668 177.9822 124 Y 4.2502 8.0952 115.5429 60.1360 38.2120 176.8903 125 V 4.4001 7.9663 110.6487 60.7649 32.8168 175.4201 126 Q 4.1962 7.9881 120.3635 57.1241 28.8701 176.7186 127 G 3.9572 8.9215 110.3346 46.0208 0.0000 174.5705 128 C 4.4198 8.0165 115.8686 56.8778 40.6430 174.2022 129 G 3.8505 8.1735 107.1233 46.6105 0.0000 174.0475 130 V 3.9992 7.8776 118.0817 61.0708 31.9569 175.8885 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 4.30 0.00 1.74 1.83 0.00 1.31 0.00 0.00 1.24 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 1.16 7.81 2 Y 8.51 4.86 0.00 2.96 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 3 F 10.08 4.59 0.00 2.81 2.85 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 4 E 8.97 4.33 0.00 1.95 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 2.31 2.40 0.00 5 R 9.03 3.46 0.00 1.98 1.93 0.00 3.36 0.00 0.00 3.42 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.87 0.00 6 C 8.03 4.34 0.00 3.01 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 7 E 8.14 3.92 0.00 2.07 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 2.58 2.42 0.00 8 L 7.99 3.60 0.00 1.37 1.38 -0.17 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.91 3.94 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 10 R 8.10 3.90 0.00 1.89 1.99 0.00 3.14 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 11 T 7.89 3.87 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 1.23 0.00 0.00 12 L 8.22 3.85 0.00 1.72 1.56 0.91 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.17 3.91 0.00 1.92 1.92 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.44 1.50 7.81 14 R 8.15 4.00 0.00 1.93 1.97 0.00 3.21 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 15 L 7.33 4.35 0.00 1.55 1.56 0.88 1.11 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 16 G 7.84 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 0.00 0.00 0.00 17 M 7.78 3.95 0.00 1.32 1.95 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.20 0.00 18 D 7.98 4.41 0.00 2.69 2.68 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 19 G 9.44 3.94 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 0.00 0.00 0.00 20 Y 8.19 4.28 0.00 3.38 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 21 R 8.91 3.60 0.00 1.82 1.81 0.00 3.34 0.00 0.00 2.94 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.33 0.00 22 G 8.16 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 23 I 7.59 4.15 1.79 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.67 -0.21 0.00 0.00 24 S 8.33 4.61 0.00 4.06 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 25 L 8.78 4.22 0.00 1.89 1.81 0.98 1.11 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 26 A 8.15 4.12 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.09 4.41 0.00 2.78 2.75 0.00 0.00 6.93 9.02 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 28 W 8.04 4.28 0.00 3.55 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 29 M 8.52 4.12 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.92 0.00 30 C 8.04 3.15 0.00 2.58 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 31 L 8.14 4.00 0.00 1.89 1.88 0.67 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.39 4.25 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 33 K 8.28 3.03 0.00 1.80 1.72 0.00 0.61 0.00 0.00 1.05 0.00 0.00 2.69 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.24 0.57 7.81 34 W 7.87 4.34 0.00 3.36 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 35 E 8.34 4.36 0.00 2.03 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 0.00 2.56 2.52 0.00 36 S 7.94 4.48 0.00 3.98 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 37 G 8.33 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.75 3.64 0.00 3.38 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 39 N 7.35 4.61 0.00 1.44 2.43 0.00 0.00 7.00 7.11 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 40 T 8.60 4.02 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 41 R 7.87 4.33 0.00 1.96 2.00 0.00 3.18 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 42 A 7.56 4.28 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 43 T 8.24 5.07 4.09 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 0.00 0.00 0.00 1.24 0.00 0.00 44 N 8.64 4.85 0.00 2.87 2.74 0.00 0.00 6.87 6.94 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 45 Y 8.77 4.62 0.00 3.00 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 46 N 8.51 4.71 0.00 2.59 2.59 0.00 0.00 6.60 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 47 A 8.26 3.71 1.32 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 48 G 8.13 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 0.00 0.00 0.00 49 D 7.58 4.76 0.00 2.70 2.68 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 50 R 8.03 3.92 0.00 2.05 2.18 0.00 3.12 0.00 0.00 3.20 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00 51 S 7.50 4.94 0.00 3.90 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 52 T 8.81 5.10 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 0.58 0.00 0.00 53 D 8.95 5.35 0.00 2.73 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 9.24 4.82 0.00 2.89 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 55 G 8.86 4.49 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 0.00 0.00 0.00 56 I 8.07 3.84 1.60 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 0.95 2.27 -0.05 0.00 0.00 57 F 7.87 4.84 0.00 3.20 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 58 Q 7.98 3.60 0.00 2.52 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.83 0.00 0.00 0.00 0.00 0.00 2.50 2.70 0.00 59 I 8.13 4.33 2.13 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.02 1.11 0.00 0.00 60 N 9.21 5.40 0.00 3.11 3.06 0.00 0.00 6.97 7.22 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 61 S 9.17 4.61 0.00 4.05 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.74 3.75 0.00 1.49 1.09 0.00 2.64 0.00 0.00 2.89 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.99 0.00 63 Y 7.70 4.25 0.00 1.57 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 0.00 0.00 0.00 0.00 64 W 8.15 4.99 0.00 3.55 3.29 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 65 C 8.13 5.63 0.00 3.05 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 66 N 9.12 4.91 0.00 2.80 2.69 0.00 0.00 7.09 8.03 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 67 D 8.78 4.77 0.00 2.83 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 68 G 8.45 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 69 K 8.18 4.49 0.00 1.90 1.89 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.45 7.81 70 T 7.72 4.43 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 1.19 0.00 0.00 71 P 0.00 4.15 0.00 2.01 2.01 0.00 3.82 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 72 G 8.69 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 73 A 7.40 4.41 1.24 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 0.00 0.00 0.00 74 V 8.48 4.31 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 0.62 0.00 0.00 0.87 0.00 0.00 75 N 7.96 4.94 0.00 2.73 2.54 0.00 0.00 6.77 7.70 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 76 A 8.99 3.94 1.18 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 0.00 0.00 77 C 8.52 4.57 0.00 3.32 3.25 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 78 H 7.99 4.02 0.00 3.29 3.36 0.00 5.82 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 79 L 8.66 4.75 0.00 1.65 1.50 1.00 0.67 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 80 S 8.42 4.64 0.00 3.83 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 81 C 8.62 4.10 0.00 2.17 1.18 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 82 S 7.83 3.87 0.00 3.89 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 83 A 7.78 4.05 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 84 L 7.94 4.45 0.00 1.91 1.81 1.06 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.95 5.06 0.00 1.76 1.69 1.13 1.17 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 86 Q 7.85 4.42 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.42 7.08 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 87 D 8.56 4.39 0.00 2.62 2.66 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 88 N 8.04 4.55 0.00 2.69 2.74 0.00 0.00 6.94 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.45 4.24 1.75 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.59 0.96 0.00 0.00 90 A 8.36 3.93 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 91 D 8.08 4.27 0.00 2.74 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 92 A 7.96 4.09 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 93 V 8.18 3.39 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 0.77 0.00 0.00 0.90 0.00 0.00 94 A 8.09 3.82 1.34 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 0.00 0.00 95 C 8.42 4.25 0.00 3.14 3.29 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 96 A 8.33 3.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 3.87 0.00 1.72 1.47 0.00 1.26 0.00 0.00 0.77 0.00 0.00 2.19 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.92 7.81 98 R 7.62 3.96 0.00 1.86 2.21 0.00 3.46 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.03 0.00 99 V 7.61 2.75 1.78 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 -0.32 0.00 0.00 -0.60 0.00 0.00 100 V 7.73 3.83 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 1.08 0.00 0.00 1.46 0.00 0.00 101 R 7.66 4.08 0.00 2.00 2.05 0.00 3.24 0.00 0.00 3.40 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.12 0.00 102 D 7.43 4.69 0.00 2.96 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 0.00 103 P 0.00 4.20 0.00 2.01 2.14 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 104 Q 8.18 4.00 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.81 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 105 G 7.92 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 0.00 0.00 0.00 106 I 7.82 3.44 0.98 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 -0.36 -0.82 0.00 0.00 107 R 7.16 4.18 0.00 1.92 2.02 0.00 3.20 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.44 0.00 108 A 7.68 4.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.04 4.72 0.00 3.49 3.25 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 0.00 110 V 8.75 3.74 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 1.17 0.00 0.00 1.00 0.00 0.00 111 A 8.31 4.08 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.52 4.05 0.00 3.46 3.46 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 0.00 113 R 8.21 3.79 0.00 2.07 2.01 0.00 3.35 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.03 0.00 114 N 8.34 4.41 0.00 2.69 2.72 0.00 0.00 6.89 7.20 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 0.00 115 R 7.90 4.25 0.00 1.03 0.81 0.00 2.21 0.00 0.00 2.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.06 0.00 116 C 7.28 4.57 0.00 1.78 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 0.00 117 Q 6.94 3.09 0.00 0.93 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.73 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 118 N 8.47 4.15 0.00 2.76 2.79 0.00 0.00 6.84 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 0.00 119 R 7.28 4.55 0.00 1.75 1.78 0.00 3.24 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 120 D 8.46 4.59 0.00 2.64 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 V 8.11 4.59 2.37 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 0.93 0.00 0.00 1.04 0.00 0.00 122 R 8.21 4.03 0.00 1.95 2.03 0.00 3.18 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 123 Q 8.25 4.00 0.00 1.95 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.11 0.00 0.00 0.00 0.00 0.00 2.18 1.61 0.00 124 Y 8.10 4.25 0.00 3.26 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 0.00 125 V 7.97 4.40 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 1.07 0.00 0.00 126 Q 7.99 4.20 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.88 0.00 0.00 0.00 0.00 0.00 2.52 2.31 0.00 127 G 8.92 3.96 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 0.00 0.00 0.00 128 C 8.02 4.42 0.00 3.08 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 G 8.17 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 0.00 0.00 0.00 130 V 7.88 4.00 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 0.79 0.00 0.00 0.97 0.00 0.00