NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5018 0.0000 0.0000 61.9354 33.4379 175.2079 3 E 4.3254 8.9164 125.6596 56.0960 30.1134 174.7238 4 I 4.1450 9.4943 130.1724 61.3019 38.6834 175.2656 5 R 4.4782 8.6315 125.3132 55.3393 31.8963 175.0648 6 L 4.8792 8.3818 123.1314 53.4836 43.0970 176.2546 7 R 4.2495 9.4947 126.5863 58.8410 30.4271 175.7659 8 H 4.8299 7.7296 111.6338 54.4882 32.4680 171.4515 9 V 4.1846 8.1305 119.0043 62.1360 31.2589 175.7494 10 V 3.9530 8.9056 129.8142 65.7904 32.0653 175.9422 11 S 4.6677 7.6577 112.2816 57.8086 66.3002 173.2884 12 C 4.9421 8.1710 120.5506 58.4004 33.5205 174.0058 13 S 4.3736 9.4531 122.2786 61.0965 63.4895 174.7414 14 S 4.5887 8.0296 110.6314 57.6158 64.8427 174.3795 15 Q 5.5790 8.3962 123.0905 55.6073 31.0605 173.4135 16 D 4.7421 8.4584 119.0982 53.2011 42.4620 176.6128 17 S 4.3035 8.5703 117.6198 60.9675 63.5772 175.5441 18 T 4.1815 8.0736 109.6963 63.8618 69.7190 175.6216 19 H 4.9489 8.1117 122.3886 53.0653 27.3812 174.2209 20 C 5.0313 7.7168 117.7916 56.0625 32.2714 175.6010 21 A 3.4126 9.8405 124.3979 55.6161 18.2696 180.0943 22 E 3.7794 8.1214 116.3327 59.5426 29.9158 178.7876 23 N 4.3503 7.8945 114.3679 55.5592 38.6813 175.6830 24 L 4.4857 7.9166 116.9254 55.3584 42.3270 177.9043 25 L 4.1779 8.1436 119.1565 56.7023 41.5485 177.6812 26 K 4.5615 7.7685 117.1796 54.2113 35.6331 177.0787 27 A 4.1545 8.6156 126.3287 54.7379 18.7049 178.9117 28 D 4.1866 8.0092 115.0595 57.6630 40.7273 178.2565 29 T 3.6606 7.3386 114.4307 64.5806 68.5748 175.3201 30 Y 3.9485 6.9591 115.3488 58.8419 35.9141 169.3214 31 R 4.7320 7.3364 118.3988 54.6151 32.2023 175.9151 32 K 4.9359 8.4331 119.7914 54.6904 35.7314 174.5977 33 W 5.2105 8.8757 131.9750 56.0253 32.9019 174.9760 34 R 4.5745 8.9572 124.8084 53.7970 33.7619 174.5396 35 A 4.2140 7.7773 122.2443 51.6747 18.9528 179.0192 36 A 4.2841 8.8836 123.9354 54.6129 18.7548 178.4533 37 K 4.6160 7.1959 113.0206 54.3584 36.3115 176.1510 38 A 4.2237 8.3099 123.9904 53.4746 18.8775 178.3470 39 G 3.9273 8.9521 108.5214 45.2952 0.0000 173.3794 40 E 4.2860 7.8970 119.5644 55.4937 29.8109 176.8193 41 K 4.3331 8.8153 124.6665 59.1978 33.2099 177.0585 42 T 5.5087 7.8335 107.7976 60.2626 71.9883 173.1983 43 I 4.8671 9.0290 115.7834 60.1002 41.8517 173.4420 44 S 5.3444 9.3789 116.2259 57.5317 66.2867 173.1401 45 V 4.6578 8.4278 116.9064 59.6996 36.4196 173.9870 46 V 4.5616 8.5508 124.5091 61.1522 33.7251 174.1754 47 L 4.9508 8.9760 128.1599 53.0190 44.4188 175.1242 48 Q 4.8173 8.8654 125.0695 54.8132 30.3406 175.1254 49 L 4.6124 8.7319 127.1652 54.5977 42.1148 177.2319 50 E 4.3087 8.7373 121.7726 58.9366 29.8701 177.2768 51 K 4.7443 7.7317 115.6394 54.5706 36.3183 175.8804 52 E 4.3925 8.6917 122.1850 56.6650 30.1834 175.6003 53 E 4.8010 9.6116 124.9809 55.1516 35.1506 173.6144 54 Q 4.8619 8.6524 122.9154 55.4150 30.8131 174.2353 55 I 4.7145 8.5620 127.4076 60.9710 37.7821 174.7910 56 H 4.7279 9.9420 128.6078 57.9955 31.0050 174.9281 57 S 5.0374 7.9867 110.4691 57.0440 66.5438 173.0504 58 V 4.7736 9.0110 123.4537 61.6229 34.7839 173.3927 59 D 5.4824 9.2919 128.5706 52.8992 43.2513 175.5185 60 I 4.4309 8.9842 123.8224 59.3631 40.6462 174.6965 61 G 3.4546 7.6751 115.1405 44.0776 0.0000 172.8052 62 N 4.6382 8.8118 125.9726 52.8329 40.8346 174.2375 63 D 4.7342 8.0504 116.2718 53.2986 41.0252 176.2274 64 G 4.1078 8.7214 107.2468 45.4190 0.0000 173.2607 65 S 4.0633 7.6414 114.9866 58.1912 63.8069 173.8729 66 A 4.3066 8.6545 125.1583 53.4137 20.3072 177.4248 67 F 5.5265 7.8592 112.1540 55.8916 43.7909 174.4345 68 V 4.8911 9.2087 121.1283 61.2217 35.0488 173.7227 69 E 5.1007 9.5689 128.1149 54.3146 33.2635 174.3424 70 V 4.8936 8.5013 125.1849 61.1362 34.5475 174.2852 71 L 5.2182 9.3231 127.2399 53.1146 45.6490 175.7351 72 V 4.5700 8.6191 114.0379 59.8073 35.4527 175.2938 73 G 4.0289 8.5804 109.7755 45.3713 0.0000 170.9638 74 S 5.5482 8.3079 113.5603 56.4441 64.7445 174.5502 75 S 4.2683 9.2542 119.5849 59.8898 63.4632 174.5701 76 A 4.0366 7.8081 125.5132 52.9359 18.4589 177.2573 77 G 3.7265 9.2772 111.0168 46.3161 0.0000 175.3252 78 G 3.7974 8.4352 109.8901 44.4579 0.0000 173.4866 79 A 4.3542 8.2569 121.7274 50.9735 20.8950 176.4593 80 G 4.0591 8.8587 112.5423 44.5229 0.0000 173.9550 81 E 4.0013 8.7752 117.6400 59.9495 29.3792 179.6378 82 Q 4.2785 8.0692 113.2194 56.4685 28.3588 176.1838 83 D 4.6021 7.7330 119.3615 55.1836 42.3424 176.2248 84 Y 4.2493 7.3843 116.4332 57.3567 38.4572 175.4040 85 E 4.2420 8.7436 126.0269 55.5595 31.4438 175.4003 86 V 3.9442 8.1890 125.3821 62.9088 32.0796 174.7682 87 L 4.3320 8.9615 130.1068 56.4334 43.9258 175.4995 88 L 4.9791 7.5565 123.7764 52.7046 43.7274 175.7608 89 V 4.0112 8.3984 126.2756 61.7225 32.3349 175.8237 90 T 4.0533 8.4417 118.1008 64.8518 68.8509 173.2953 91 S 4.9937 9.3262 122.9226 56.6363 66.0815 173.6211 92 S 4.9203 8.8187 118.5599 58.3035 62.7054 173.5401 93 F 4.7117 8.9876 122.6931 57.1773 41.0903 174.9194 94 M 4.6911 7.6552 116.7150 53.2062 35.1114 174.7545 95 S 4.3196 8.8293 121.5877 56.7934 65.7251 173.7312 96 P 3.4480 0.0000 0.0000 65.4690 30.8980 179.1792 97 S 4.0336 7.7183 113.3245 61.6092 62.8223 176.4926 98 E 3.9137 8.0160 121.1627 59.5351 28.9988 179.4455 99 S 4.1155 8.2212 114.2217 61.8825 62.9796 176.8452 100 R 4.0930 8.1492 120.1034 58.6994 29.9290 178.4522 101 S 4.5579 8.0919 111.9301 57.9888 63.6579 175.0806 102 G 3.8534 8.5300 110.6685 46.1186 0.0000 173.4065 103 S 4.3121 7.9565 114.8530 58.7593 64.2162 174.1001 104 N 4.1634 8.5747 120.6063 54.2085 35.6031 172.7581 105 P 4.5031 0.0000 0.0000 63.6553 33.1955 178.9839 106 N 5.0378 7.9185 115.1176 51.8656 39.8757 174.7595 107 R 4.0442 8.1041 120.8869 57.2383 30.9921 175.2356 108 V 5.0875 8.4878 125.5749 60.1559 33.6554 175.3110 109 R 4.4563 9.2203 122.8837 54.4961 33.9195 173.7066 110 M 4.7511 8.2662 123.0530 53.9963 34.3190 175.2038 111 F 4.6819 9.3784 124.3452 55.8673 42.3986 175.2882 112 G 4.3873 8.4599 114.3365 43.7372 0.0000 171.0276 113 P 4.3055 0.0000 0.0000 65.3453 31.3605 178.4914 114 D 4.1659 8.0658 116.3409 55.0915 39.7657 177.0057 115 K 4.4079 7.9006 117.4528 56.3960 32.8110 176.4882 116 L 4.6153 7.1032 118.8129 53.2451 43.0936 176.7121 117 V 3.8778 8.5858 115.3416 61.4983 31.9497 178.0058 118 R 4.1282 8.6621 123.2988 58.0697 29.9154 178.8782 119 A 4.0002 7.9925 119.8859 55.2468 18.7280 179.0426 120 A 4.4368 8.0588 118.6091 55.2807 18.4376 179.3385 121 A 4.2321 8.3479 118.0572 54.4542 18.4774 178.9582 122 E 4.1177 7.9713 117.7011 58.0277 29.9643 176.7284 123 K 4.2865 7.5445 117.7129 55.4585 33.9620 176.2628 124 R 4.7295 7.6580 119.2759 54.6372 32.3042 175.9401 125 W 5.4113 9.2268 121.6748 55.2883 34.3510 174.9791 126 D 4.9693 8.9318 116.6708 52.9362 41.1632 174.9246 127 R 5.1466 8.4111 118.3612 54.7106 34.5241 174.7815 128 V 4.6011 8.6088 121.2779 61.2848 35.0916 173.5346 129 K 4.7402 9.1713 130.0663 54.7337 34.3895 174.6216 130 I 4.8515 8.5442 128.6044 59.5797 39.8419 174.5602 131 V 4.9048 9.0771 127.7377 61.3158 33.8082 173.9508 132 C 5.4546 9.2335 125.4857 58.1778 31.2265 173.1709 133 S 5.0709 9.0968 118.3309 57.1359 66.6806 173.4051 134 Q 4.0444 8.3863 124.1828 54.5786 28.9196 172.3406 135 P 4.2956 0.0000 0.0000 63.3654 32.1473 176.7557 136 Y 4.5684 7.4624 114.5404 58.6223 38.4258 175.6554 137 S 4.5503 7.7226 113.6424 57.2934 65.2823 173.4984 138 K 4.6016 8.5797 125.5133 56.3911 32.4492 176.9259 139 D 4.5590 7.8283 121.5248 56.7116 40.9862 176.7981 140 S 4.7413 7.5718 112.4576 55.7947 66.9880 171.9843 141 P 4.3819 0.0000 0.0000 62.8020 31.8521 175.6340 142 F 5.0653 7.5535 114.7211 55.0390 41.9336 174.1427 143 G 3.6763 7.3355 109.9023 46.2705 0.0000 172.9043 144 L 4.7771 7.7411 123.3949 53.0891 45.1395 177.5282 145 S 4.4540 9.3630 117.6058 60.8942 63.3402 173.5610 146 F 5.0930 7.4781 112.4627 56.5102 41.0874 173.0816 147 V 4.8718 8.3974 117.4787 60.6233 34.1394 173.8712 148 R 4.6003 8.9013 123.1403 54.3914 33.5273 174.3523 149 F 5.3216 8.7273 122.0634 56.1794 41.9924 174.4143 150 H 5.5619 9.0237 118.6864 54.1093 32.6281 173.5180 151 S 5.5777 9.0837 117.6631 56.1983 64.5347 172.1641 152 P 4.2724 0.0000 0.0000 62.2045 31.8986 175.0706 153 P 4.3910 0.0000 0.0000 62.8942 31.3687 176.3608 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 2 P 0.00 4.50 0.00 2.13 2.07 0.00 3.85 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 3 E 8.92 4.33 0.00 2.12 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 2.42 2.37 0.00 4 I 9.49 4.14 2.03 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.83 0.95 0.00 0.00 5 R 8.63 4.48 0.00 1.88 1.86 0.00 3.11 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 6 L 8.38 4.88 0.00 1.65 1.58 1.09 0.93 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 7 R 9.49 4.25 0.00 1.81 2.14 0.00 3.30 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 8 H 7.73 4.83 0.00 3.18 3.32 0.00 5.50 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.13 4.18 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 0.67 0.00 0.00 0.81 0.00 0.00 10 V 8.91 3.95 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 0.82 0.00 0.00 0.82 0.00 0.00 11 S 7.66 4.67 0.00 3.85 3.86 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 C 8.17 4.94 0.00 2.77 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 13 S 9.45 4.37 0.00 3.89 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.03 4.59 0.00 3.84 3.73 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 15 Q 8.40 5.58 0.00 2.41 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 16 D 8.46 4.74 0.00 2.79 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 17 S 8.57 4.30 0.00 4.01 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 18 T 8.07 4.18 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 1.17 0.00 0.00 19 H 8.11 4.95 0.00 3.31 3.44 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 7.72 5.03 0.00 3.34 3.28 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 0.00 0.00 0.00 0.00 21 A 9.84 3.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.12 3.78 0.00 2.00 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 2.39 2.38 0.00 23 N 7.89 4.35 0.00 3.11 3.06 0.00 0.00 7.10 7.95 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 24 L 7.92 4.49 0.00 1.65 1.76 0.87 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.14 4.18 0.00 1.62 1.74 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.77 4.56 0.00 1.73 1.59 0.00 1.63 0.00 0.00 1.94 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.39 7.81 27 A 8.62 4.15 1.20 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 0.00 0.00 28 D 8.01 4.19 0.00 2.53 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.34 3.66 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 1.18 0.00 0.00 30 Y 6.96 3.95 0.00 3.31 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 31 R 7.34 4.73 0.00 1.97 2.01 0.00 3.15 0.00 0.00 3.42 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 32 K 8.43 4.94 0.00 1.75 1.83 0.00 1.62 0.00 0.00 1.96 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.50 7.81 33 W 8.88 5.21 0.00 3.46 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 34 R 8.96 4.57 0.00 1.63 1.52 0.00 3.02 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.37 0.00 35 A 7.78 4.21 0.83 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 0.00 0.00 36 A 8.88 4.28 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.20 4.62 0.00 1.86 1.64 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.51 7.81 38 A 8.31 4.22 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.95 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 7.90 4.29 0.00 1.97 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 2.31 2.30 0.00 41 K 8.82 4.33 0.00 1.72 1.84 0.00 1.58 0.00 0.00 1.84 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.43 7.81 42 T 7.83 5.51 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 43 I 9.03 4.87 1.89 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.43 0.64 0.00 0.00 44 S 9.38 5.34 0.00 3.91 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 45 V 8.43 4.66 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.80 0.00 0.00 0.28 0.00 0.00 46 V 8.55 4.56 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 0.98 0.00 0.00 0.67 0.00 0.00 47 L 8.98 4.95 0.00 1.46 1.45 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.87 4.82 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 49 L 8.73 4.61 0.00 1.65 1.58 0.96 0.81 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 50 E 8.74 4.31 0.00 1.89 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 2.36 2.27 0.00 51 K 7.73 4.74 0.00 1.69 1.72 0.00 1.59 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.43 7.81 52 E 8.69 4.39 0.00 1.99 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 2.36 2.33 0.00 53 E 9.61 4.80 0.00 1.91 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 2.25 2.49 0.00 54 Q 8.65 4.86 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.97 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 55 I 8.56 4.71 2.04 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 1.36 0.84 1.20 0.00 0.00 56 H 9.94 4.73 0.00 3.16 3.56 0.00 5.93 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.99 5.04 0.00 4.00 3.79 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 58 V 9.01 4.77 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 0.85 0.00 0.00 1.18 0.00 0.00 59 D 9.29 5.48 0.00 2.84 2.76 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 60 I 8.98 4.43 2.33 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 1.39 1.71 0.55 0.00 0.00 61 G 7.68 3.45 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 0.00 62 N 8.81 4.64 0.00 2.95 2.91 0.00 0.00 6.30 7.99 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 63 D 8.05 4.73 0.00 2.83 2.46 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 64 G 8.72 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 65 S 7.64 4.06 0.00 3.93 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 66 A 8.65 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.86 5.53 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 68 V 9.21 4.89 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 0.94 0.00 0.00 0.39 0.00 0.00 69 E 9.57 5.10 0.00 1.99 1.71 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 2.14 2.33 0.00 70 V 8.50 4.89 2.08 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 1.10 0.00 0.00 1.00 0.00 0.00 71 L 9.32 5.22 0.00 1.49 1.64 0.89 0.92 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 72 V 8.62 4.57 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 -0.18 0.00 0.00 73 G 8.58 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 74 S 8.31 5.55 0.00 3.95 3.73 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 75 S 9.25 4.27 0.00 4.05 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 76 A 7.81 4.04 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 77 G 9.28 3.73 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 0.00 0.00 0.00 78 G 8.44 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 79 A 8.26 4.35 1.16 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 0.00 0.00 80 G 8.86 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 81 E 8.78 4.00 0.00 2.04 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 2.44 2.30 0.00 82 Q 8.07 4.28 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 83 D 7.73 4.60 0.00 2.66 2.36 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 84 Y 7.38 4.25 0.00 2.95 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 85 E 8.74 4.24 0.00 1.75 1.31 0.00 0.00 0.00 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 86 V 8.19 3.94 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 0.76 0.00 0.00 0.96 0.00 0.00 87 L 8.96 4.33 0.00 1.63 1.67 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.56 4.98 0.00 1.65 1.38 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.40 4.01 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 0.76 0.00 0.00 0.92 0.00 0.00 90 T 8.44 4.05 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 1.13 0.00 0.00 91 S 9.33 4.99 0.00 3.90 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 92 S 8.82 4.92 0.00 4.01 3.74 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 93 F 8.99 4.71 0.00 2.83 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 94 M 7.66 4.69 0.00 1.85 2.06 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 95 S 8.83 4.32 0.00 3.92 3.87 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 96 P 0.00 3.45 0.00 1.83 1.47 0.00 3.28 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.77 0.00 97 S 7.72 4.03 0.00 3.79 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 98 E 8.02 3.91 0.00 2.10 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 2.28 2.28 0.00 99 S 8.22 4.12 0.00 4.00 4.20 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 0.00 100 R 8.15 4.09 0.00 1.97 1.98 0.00 3.15 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 101 S 8.09 4.56 0.00 4.02 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 0.00 102 G 8.53 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 0.00 103 S 7.96 4.31 0.00 3.85 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.57 4.16 0.00 2.81 2.84 0.00 0.00 7.04 8.02 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 0.00 105 P 0.00 4.50 0.00 2.07 2.07 0.00 3.56 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 2.09 2.33 0.00 106 N 7.92 5.04 0.00 2.61 2.85 0.00 0.00 7.20 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 0.00 107 R 8.10 4.04 0.00 1.93 1.97 0.00 3.30 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 108 V 8.49 5.09 2.16 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 0.91 0.00 0.00 1.08 0.00 0.00 109 R 9.22 4.46 0.00 1.56 1.06 0.00 2.55 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.20 0.00 110 M 8.27 4.75 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.55 0.00 111 F 9.38 4.68 0.00 3.13 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 0.00 112 G 8.46 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 0.00 0.00 0.00 113 P 0.00 4.31 0.00 2.17 2.05 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.65 0.00 114 D 8.07 4.17 0.00 2.81 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 0.00 115 K 7.90 4.41 0.00 2.02 2.11 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.46 7.81 116 L 7.10 4.62 0.00 1.53 1.77 1.07 0.97 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 0.00 117 V 8.59 3.88 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 0.77 0.00 0.00 1.02 0.00 0.00 118 R 8.66 4.13 0.00 1.89 2.01 0.00 3.16 0.00 0.00 3.37 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 119 A 7.99 4.00 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 0.00 120 A 8.06 4.44 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 0.00 121 A 8.35 4.23 1.41 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 0.00 0.00 0.00 122 E 7.97 4.12 0.00 2.26 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 2.34 2.41 0.00 123 K 7.54 4.29 0.00 1.03 1.15 0.00 1.93 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.56 7.81 124 R 7.66 4.73 0.00 1.44 1.71 0.00 3.09 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 125 W 9.23 5.41 0.00 3.15 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 0.00 126 D 8.93 4.97 0.00 2.67 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 0.00 127 R 8.41 5.15 0.00 1.87 1.98 0.00 3.30 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 128 V 8.61 4.60 1.75 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 0.55 0.00 0.00 0.41 0.00 0.00 129 K 9.17 4.74 0.00 0.98 1.23 0.00 0.63 0.00 0.00 1.09 0.00 0.00 2.66 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.09 1.05 7.81 130 I 8.54 4.85 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.14 1.08 0.00 0.00 131 V 9.08 4.90 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 0.94 0.00 0.00 0.89 0.00 0.00 132 C 9.23 5.45 0.00 3.02 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 S 9.10 5.07 0.00 3.87 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 0.00 134 Q 8.39 4.04 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.93 0.00 0.00 0.00 0.00 0.00 1.91 2.30 0.00 135 P 0.00 4.30 0.00 1.43 1.82 0.00 3.04 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.92 0.00 136 Y 7.46 4.57 0.00 3.08 2.92 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 0.00 137 S 7.72 4.55 0.00 3.84 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 0.00 138 K 8.58 4.60 0.00 1.76 1.79 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.41 7.81 139 D 7.83 4.56 0.00 2.62 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 0.00 140 S 7.57 4.74 0.00 3.82 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 0.00 141 P 0.00 4.38 0.00 1.96 2.04 0.00 3.63 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 2.00 2.12 0.00 142 F 7.55 5.07 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.34 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.74 4.78 0.00 1.78 1.54 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 145 S 9.36 4.45 0.00 4.04 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 0.00 146 F 7.48 5.09 0.00 3.18 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.40 4.87 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 0.83 0.00 0.00 0.61 0.00 0.00 148 R 8.90 4.60 0.00 1.95 1.77 0.00 3.17 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 149 F 8.73 5.32 0.00 3.01 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 H 9.02 5.56 0.00 3.17 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 S 9.08 5.58 0.00 3.89 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 0.00 152 P 0.00 4.27 0.00 1.98 2.08 0.00 3.69 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 2.25 2.24 0.00 153 P 0.00 4.39 0.00 2.01 1.93 0.00 3.61 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00