NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2377 8.1627 120.5984 55.2526 34.1808 173.3169 2 K 4.6947 7.8915 123.6537 53.8058 34.4225 173.6507 3 W 4.9417 9.9936 128.0269 54.8953 33.3441 173.6032 4 E 5.2250 8.9454 122.5935 54.8998 30.9200 175.2399 5 M 4.9056 8.8614 121.0690 53.6571 35.0349 174.8280 6 G 4.1823 8.7364 107.7918 46.6338 0.0000 172.8149 7 L 4.5162 9.0611 121.9185 53.3880 45.7904 175.3759 8 Q 4.0931 8.8312 125.0007 56.0940 29.6620 177.0876 9 E 3.9271 8.9661 122.4269 59.5387 29.8963 179.0117 10 E 3.8358 7.9826 116.9287 59.6029 29.3373 178.3178 11 Y 4.1430 7.5254 116.1494 59.6899 38.0210 177.7025 12 I 3.6467 7.5802 121.4973 64.5572 37.2889 177.8812 13 E 3.9901 8.1226 119.3868 59.2581 29.5092 178.6532 14 L 4.0505 7.4362 117.8380 57.6429 41.6123 179.6159 15 I 4.1403 7.7652 121.2255 63.8323 36.9269 178.5090 16 K 3.9920 7.9708 117.8532 59.4507 31.9554 178.8727 17 A 4.2240 8.0620 119.7160 53.2041 18.4125 178.4796 18 G 3.9414 7.8687 105.1577 45.4720 0.0000 174.9705 19 K 3.9547 7.9087 118.9755 58.8068 32.4475 177.4799 20 K 4.4290 8.0775 124.8145 55.7259 31.6560 176.4971 21 K 4.7043 8.8321 125.5245 56.2153 34.1733 176.0982 22 I 5.0827 7.5667 121.0511 59.3255 41.5546 173.6360 23 E 4.4200 9.3368 127.5860 54.4515 31.6462 174.6587 24 G 4.5117 8.7302 114.4107 45.3485 0.0000 172.4654 25 R 4.9335 8.4848 121.4072 54.8811 35.5477 174.1332 26 L 4.0209 7.9485 119.8309 54.5915 42.1330 177.8561 27 Y 4.6091 8.0858 125.7246 56.6707 36.5108 173.8441 28 D 4.1981 7.1757 122.4794 51.6107 42.6259 177.0065 29 E 3.7465 8.6688 118.5532 59.8521 29.6889 178.8689 30 K 3.8858 7.7276 118.7659 59.4412 32.2312 178.6715 31 R 3.8962 7.9080 116.3233 58.0056 30.0305 178.0276 32 R 4.0659 7.2418 116.5537 56.2086 30.3092 176.5665 33 Q 4.4121 7.1870 116.5648 55.4429 29.6450 175.6430 34 I 4.3232 7.0495 119.2597 60.1064 38.5767 175.0966 35 K 4.7275 8.9610 121.6190 54.0993 35.7003 174.0832 36 P 4.6093 0.0000 0.0000 64.3215 31.6337 176.2991 37 G 4.1114 9.0806 111.4874 45.7241 0.0000 173.8141 38 D 4.8162 8.2291 119.3307 54.3895 42.6055 175.2980 39 I 4.9714 8.9498 120.6420 59.6905 40.5384 174.9172 40 I 4.8408 8.5439 126.4868 59.5413 40.2550 174.5655 41 I 4.5033 8.9233 128.4798 59.7704 38.8145 174.7583 42 F 5.1634 9.2499 127.5789 57.0190 40.4146 175.9476 43 E 3.9743 9.9410 124.0464 57.5215 28.1705 175.5189 44 G 3.9767 8.8084 102.2641 46.3983 0.0000 172.9685 45 G 4.0765 8.0346 106.3963 45.1277 0.0000 176.5255 46 K 3.8229 7.7577 118.3286 58.6371 32.4933 176.8947 47 L 4.5785 7.4771 118.8873 53.9552 46.2190 173.6529 48 K 5.1814 8.7446 124.5583 54.8497 35.6090 175.4230 49 V 4.9960 8.5936 115.9809 59.7080 36.8488 173.9423 50 K 4.8371 8.9038 123.8366 54.8478 34.5784 175.3171 51 V 4.3529 8.7747 127.7963 62.7625 31.9820 176.3358 52 K 4.5306 9.0763 127.5056 57.3883 33.7815 176.4200 53 G 4.1284 7.5635 104.5980 45.8416 0.0000 172.5165 54 I 5.2296 8.2789 120.1586 59.6145 41.0797 175.0910 55 R 4.5248 8.9759 124.9935 54.1494 33.9860 174.5810 56 V 4.3664 7.6364 120.9304 61.1893 34.1940 173.9817 57 Y 4.9085 8.9732 124.2584 56.1266 41.8936 176.4510 58 S 4.4895 9.4513 115.0472 60.0271 63.9997 174.6792 59 S 4.5137 7.3285 114.8350 56.1949 66.6356 175.0040 60 F 4.0867 9.3623 121.8630 60.2109 38.5484 178.0799 61 K 3.9447 8.0990 119.0166 59.5665 32.1168 178.2862 62 E 3.8339 8.1641 119.5094 59.3273 29.5150 178.3597 63 M 2.5500 7.7326 118.1189 58.1913 32.1794 178.2525 64 L 4.0024 8.0714 119.3468 57.9109 41.5870 179.4265 65 E 3.9300 7.9707 117.4733 59.0238 29.4098 179.0119 66 K 4.1662 7.6683 117.6147 58.6673 32.4914 178.5261 67 E 4.3747 8.3496 118.1627 55.5674 30.0502 177.0433 68 G 3.8772 8.3108 108.3465 45.9503 0.0000 173.8660 69 I 3.7226 8.7375 125.9623 64.7094 37.2611 178.3102 70 E 4.2089 8.1480 117.4371 58.9325 29.6705 177.6680 71 N 4.7828 8.2826 115.6126 54.2080 39.3774 176.5863 72 V 4.2781 7.6986 115.0350 63.1802 33.3957 175.9918 73 L 4.8016 8.0383 120.5388 51.2094 41.5906 173.2639 74 P 4.5591 0.0000 0.0000 64.3572 32.1360 176.2112 75 G 4.0566 9.5938 111.4188 45.4215 0.0000 174.4143 76 V 3.6764 7.2821 119.3914 62.9969 31.7942 176.0359 77 K 4.3144 8.5720 125.5497 57.6113 32.8776 177.0544 78 S 4.6724 7.4615 112.8630 55.9397 66.8811 174.9913 79 I 3.7243 8.2954 123.7033 64.4652 36.9000 178.2242 80 E 3.9331 8.1549 119.6634 59.5430 29.6562 178.6907 81 E 4.0979 8.4628 118.6785 59.1497 29.2228 179.6102 82 G 3.5854 8.1618 106.0145 47.7795 0.0000 175.9538 83 V 3.8056 8.1128 121.0465 65.6379 31.0395 177.9644 84 K 3.8452 8.0565 119.4124 59.3117 31.7072 178.8582 85 V 3.3859 7.1550 117.3980 66.2907 31.6358 177.4358 86 Y 4.1924 7.2471 116.1858 60.8125 37.0421 178.1532 87 R 4.3927 8.1465 121.1364 58.6607 29.8711 178.4439 88 Q 3.8653 7.2801 116.1711 57.7665 28.5332 176.8270 89 F 4.7066 6.8758 117.1421 57.3294 41.3586 175.2791 90 Y 5.0134 8.1871 118.6750 55.4452 40.9998 175.0509 91 D 4.8790 8.7654 124.4729 52.8931 41.9780 177.1567 92 E 4.2546 8.8017 119.7548 59.5230 29.4288 179.2472 93 E 3.9447 8.2762 118.8666 59.5666 29.7623 179.0672 94 R 4.1129 9.4146 118.9192 59.0953 30.1430 178.5446 95 E 3.8936 8.3478 119.2292 59.3844 29.4087 179.2050 96 K 3.9802 8.1055 117.3495 59.1045 32.1889 179.0290 97 K 3.9346 7.8790 118.8466 59.7437 32.2351 177.3908 98 Y 4.1803 8.2373 115.4369 58.2601 38.5968 176.4600 99 G 3.9158 8.6246 105.5011 44.5526 0.0000 171.5417 100 V 4.6359 8.4729 117.8587 60.7106 34.6609 174.6489 101 V 4.7330 8.7142 126.5000 59.7990 34.4683 174.3893 102 A 4.9173 9.0476 125.0582 50.4817 21.5493 175.2086 103 I 4.6104 8.7346 124.8667 59.8892 39.2201 175.1206 104 E 4.6563 9.2558 130.7041 55.9980 30.3335 175.6258 105 I 5.2271 8.7857 120.4236 59.1509 41.2084 174.4691 106 E 4.7150 8.8243 123.5393 53.7566 32.6942 173.1189 107 P 4.8209 0.0000 0.0000 63.0437 32.4140 176.3977 108 I 4.1476 8.2499 122.6880 61.4776 36.9018 175.6508 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 M 8.16 4.24 0.00 2.00 1.82 0.00 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.42 0.00 2 K 7.89 4.69 0.00 1.68 1.41 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.18 1.43 7.81 3 W 9.99 4.94 0.00 3.21 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 4 E 8.95 5.22 0.00 1.88 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 2.22 2.23 0.00 5 M 8.86 4.91 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.50 0.00 6 G 8.74 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 0.00 0.00 0.00 7 L 9.06 4.52 0.00 1.33 1.44 0.59 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.83 4.09 0.00 2.23 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.63 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 9 E 8.97 3.93 0.00 2.04 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 2.35 2.40 0.00 10 E 7.98 3.84 0.00 1.89 1.96 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 1.81 1.47 0.00 11 Y 7.53 4.14 0.00 3.08 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 12 I 7.58 3.65 1.97 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 1.41 0.97 0.94 0.00 0.00 13 E 8.12 3.99 0.00 2.06 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 2.37 2.46 0.00 14 L 7.44 4.05 0.00 2.02 1.76 1.04 0.83 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 15 I 7.77 4.14 2.03 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 1.00 0.00 0.00 16 K 7.97 3.99 0.00 1.90 1.91 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.67 7.81 17 A 8.06 4.22 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 18 G 7.87 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 19 K 7.91 3.95 0.00 1.96 1.90 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.38 7.81 20 K 8.08 4.43 0.00 1.84 1.74 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.23 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.55 7.81 21 K 8.83 4.70 0.00 1.77 1.82 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.51 7.81 22 I 7.57 5.08 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.29 0.97 0.00 0.00 23 E 9.34 4.42 0.00 2.12 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 0.00 2.39 2.36 0.00 24 G 8.73 4.51 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 0.00 0.00 0.00 25 R 8.48 4.93 0.00 1.80 1.80 0.00 3.21 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 26 L 7.95 4.02 0.00 1.02 1.16 0.65 0.63 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 27 Y 8.09 4.61 0.00 2.73 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 28 D 7.18 4.20 0.00 2.44 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 0.00 0.00 0.00 0.00 29 E 8.67 3.75 0.00 1.96 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 2.25 2.33 0.00 30 K 7.73 3.89 0.00 1.79 1.65 0.00 1.76 0.00 0.00 1.89 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.22 1.41 7.81 31 R 7.91 3.90 0.00 1.96 1.97 0.00 3.22 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 32 R 7.24 4.07 0.00 1.46 1.57 0.00 2.81 0.00 0.00 2.78 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.15 0.00 33 Q 7.19 4.41 0.00 1.37 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 34 I 7.05 4.32 1.69 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 -0.14 0.89 0.00 0.00 35 K 8.96 4.73 0.00 1.92 1.90 0.00 1.37 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.71 1.46 7.81 36 P 0.00 4.61 0.00 2.08 2.22 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 37 G 9.08 4.11 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 38 D 8.23 4.82 0.00 2.93 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 39 I 8.95 4.97 1.81 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 1.20 0.89 0.92 0.00 0.00 40 I 8.54 4.84 1.42 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.02 0.01 0.00 0.00 41 I 8.92 4.50 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.97 0.93 0.00 0.00 42 F 9.25 5.16 0.00 3.16 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 43 E 9.94 3.97 0.00 2.22 1.96 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 2.26 2.32 0.00 44 G 8.81 3.98 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 0.00 0.00 0.00 45 G 8.03 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 0.00 0.00 0.00 46 K 7.76 3.82 0.00 1.87 1.93 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.55 7.81 47 L 7.48 4.58 0.00 1.66 1.67 1.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.74 5.18 0.00 1.73 1.64 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.45 7.81 49 V 8.59 5.00 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 0.98 0.00 0.00 50 K 8.90 4.84 0.00 1.82 1.67 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.38 7.81 51 V 8.77 4.35 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 0.91 0.00 0.00 1.01 0.00 0.00 52 K 9.08 4.53 0.00 1.64 1.85 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.42 1.54 7.81 53 G 7.56 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.28 5.23 1.83 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 1.34 0.67 0.84 0.00 0.00 55 R 8.98 4.52 0.00 1.72 1.22 0.00 3.08 0.00 0.00 3.04 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 56 V 7.64 4.37 1.61 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 0.16 0.00 0.00 -0.03 0.00 0.00 57 Y 8.97 4.91 0.00 2.73 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 58 S 9.45 4.49 0.00 3.94 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 59 S 7.33 4.51 0.00 4.15 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 60 F 9.36 4.09 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 61 K 8.10 3.94 0.00 1.88 1.83 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.52 7.81 62 E 8.16 3.83 0.00 2.07 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 2.18 2.29 0.00 63 M 7.73 2.55 0.00 2.06 1.81 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 64 L 8.07 4.00 0.00 1.87 1.73 1.10 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 65 E 7.97 3.93 0.00 1.89 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 2.33 2.59 0.00 66 K 7.67 4.17 0.00 1.47 1.89 0.00 1.84 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.50 7.81 67 E 8.35 4.37 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 68 G 8.31 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 69 I 8.74 3.72 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.55 0.97 0.00 0.00 70 E 8.15 4.21 0.00 1.97 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 2.29 0.00 71 N 8.28 4.78 0.00 3.00 2.87 0.00 0.00 6.32 7.13 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 72 V 7.70 4.28 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 1.09 0.00 0.00 1.03 0.00 0.00 73 L 8.04 4.80 0.00 1.67 1.57 0.75 0.82 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 74 P 0.00 4.56 0.00 2.08 2.04 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.39 0.00 75 G 9.59 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.28 3.68 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 0.84 0.00 0.00 0.95 0.00 0.00 77 K 8.57 4.31 0.00 1.78 1.83 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.51 7.81 78 S 7.46 4.67 0.00 4.00 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 79 I 8.30 3.72 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.85 0.94 0.00 0.00 80 E 8.15 3.93 0.00 2.04 1.95 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 2.38 2.42 0.00 81 E 8.46 4.10 0.00 2.17 1.96 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 2.32 2.45 0.00 82 G 8.16 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.11 3.81 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 1.20 0.00 0.00 1.07 0.00 0.00 84 K 8.06 3.85 0.00 1.96 1.92 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.40 7.81 85 V 7.15 3.39 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 0.64 0.00 0.00 0.85 0.00 0.00 86 Y 7.25 4.19 0.00 2.63 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 0.00 0.00 0.00 0.00 87 R 8.15 4.39 0.00 2.05 2.00 0.00 3.25 0.00 0.00 3.61 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 88 Q 7.28 3.87 0.00 0.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.17 0.00 89 F 6.88 4.71 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.19 5.01 0.00 3.29 3.03 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 91 D 8.77 4.88 0.00 3.03 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 92 E 8.80 4.25 0.00 2.09 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 2.49 2.45 0.00 93 E 8.28 3.94 0.00 2.08 2.26 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 2.41 2.43 0.00 94 R 9.41 4.11 0.00 2.08 2.25 0.00 3.42 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.06 0.00 95 E 8.35 3.89 0.00 2.25 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 2.21 1.94 0.00 96 K 8.11 3.98 0.00 1.89 1.84 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.73 7.81 97 K 7.88 3.93 0.00 1.68 1.91 0.00 1.56 0.00 0.00 1.24 0.00 0.00 2.13 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.64 1.15 7.81 98 Y 8.24 4.18 0.00 3.00 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 99 G 8.62 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 0.00 100 V 8.47 4.64 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 0.75 0.00 0.00 -0.33 0.00 0.00 101 V 8.71 4.73 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 0.71 0.00 0.00 0.89 0.00 0.00 102 A 9.05 4.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.73 4.61 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.75 0.96 0.00 0.00 104 E 9.26 4.66 0.00 2.06 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 2.34 2.29 0.00 105 I 8.79 5.23 2.01 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.94 1.08 0.00 0.00 106 E 8.82 4.71 0.00 2.07 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 2.22 2.29 0.00 107 P 0.00 4.82 0.00 2.02 2.03 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 108 I 8.25 4.15 1.98 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 1.10 0.58 0.92 0.00 0.00