NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 3.9962 8.1733 120.0579 56.1922 34.7252 173.6438 3 F 5.1536 8.0866 119.5574 56.4505 40.5013 173.8394 4 Y 5.4690 9.6020 121.1651 56.4341 42.6694 174.1637 5 T 5.2956 9.4417 110.8625 60.1858 72.5475 172.8185 6 I 5.0539 8.2282 121.8610 58.9927 40.5135 175.7940 7 S 4.2471 8.8418 121.1717 59.2761 63.4450 175.9801 8 S 4.2776 8.9413 118.0007 61.3018 62.6167 176.7216 9 K 4.0219 8.2527 121.3227 60.7212 31.9652 178.4198 10 Y 3.6013 7.8173 120.6891 59.6164 38.3436 178.0916 11 I 3.8719 7.4205 120.0369 63.9309 37.6539 177.8066 12 E 4.1424 8.4819 119.9354 59.3456 29.2332 178.5152 13 Y 4.3454 8.4378 119.9003 61.0664 38.9408 178.3538 14 L 3.7158 7.5330 119.2311 57.5694 41.4137 179.5616 15 K 4.2538 7.5990 116.7246 58.7462 31.9967 178.7763 16 E 3.9122 8.0495 118.7539 58.3861 29.3074 178.1082 17 F 4.9152 7.7724 115.7230 56.9490 40.7116 175.4687 18 D 4.3760 7.5796 117.4438 53.2497 41.7207 175.1062 19 D 4.4198 8.6638 127.4637 55.6591 39.6041 178.1785 20 K 3.9876 8.5226 119.7110 58.8809 32.2384 177.8835 21 V 3.6347 7.6012 118.4836 62.3996 31.6990 173.9249 22 P 4.2743 0.0000 0.0000 62.5694 31.6779 175.8767 23 N 4.4301 8.6618 118.9421 53.9550 39.1066 174.8235 24 S 4.6636 8.8601 117.1184 59.7414 63.2918 174.0634 25 E 4.8646 7.9316 117.4259 54.4870 32.6775 174.6459 26 D 4.3649 8.0683 120.8291 51.9234 44.1842 173.9435 27 P 4.1032 0.0000 0.0000 65.9012 31.3868 176.7760 28 T 4.2196 8.0809 109.8194 62.0326 67.2871 173.8648 29 Y 4.6341 7.9220 119.3510 57.5151 36.7490 175.0719 30 Q 3.8286 8.0619 125.0557 58.7150 29.3015 178.2822 31 N 4.5772 7.3157 117.8370 51.3564 40.2603 173.3501 32 P 4.4934 0.0000 0.0000 62.2111 32.0012 176.1906 33 K 3.7903 8.6257 121.0270 56.4892 32.8154 175.8267 34 A 5.3229 8.2917 126.9357 50.3313 22.3426 174.9870 35 F 5.3261 9.6857 118.4686 55.6969 43.1579 174.3345 36 I 4.4988 9.2562 122.3356 60.3314 39.7543 175.3501 37 G 4.2218 8.5573 116.3945 45.3687 0.0000 172.3686 38 I 4.0600 7.9348 128.6006 61.3342 33.9395 174.5635 39 V 3.7152 7.4521 115.7645 63.7106 32.4483 176.6639 40 L 4.6658 7.5539 121.0006 53.6185 44.7803 173.3344 41 E 5.4713 8.5562 125.5800 53.4977 31.8266 174.3545 42 I 4.3908 8.4252 124.4707 61.2548 41.0300 173.9561 43 Q 3.2818 9.7034 123.4851 57.0950 26.2192 174.6460 44 G 3.8811 8.1665 101.2678 46.7248 0.0000 173.1895 45 H 4.9027 8.6156 117.3217 53.5436 30.6605 173.6747 46 K 4.8823 8.4026 123.4903 55.1128 34.0771 174.7906 47 Y 4.9687 8.8712 123.4777 56.3904 40.3064 174.8600 48 L 5.5257 8.8702 121.8242 51.9633 45.0953 175.7813 49 A 5.1924 8.6771 124.0976 49.4559 22.2514 174.0197 50 P 4.0597 0.0000 0.0000 62.5435 32.6995 175.8620 51 L 4.7816 8.3397 123.6611 55.0653 43.0702 176.3611 52 T 4.6677 8.4046 115.3824 60.8789 71.0703 173.4431 53 S 4.6782 8.6609 123.3592 57.0594 64.4349 172.1776 54 P 3.9469 0.0000 0.0000 63.1374 31.5251 176.0279 55 K 4.4500 6.8391 120.3430 53.7106 35.4735 177.3510 56 K 3.9333 8.3978 119.2645 59.3220 31.8393 179.0286 57 W 4.5982 7.7515 114.2800 57.9700 27.9292 177.2559 58 H 4.1515 7.3848 117.9525 58.1282 27.8487 176.9485 59 N 4.1409 7.7069 118.2465 55.8954 38.4363 175.9357 60 N 4.4792 7.9530 116.6686 55.0186 39.1134 175.3465 61 V 3.7624 7.3395 117.8734 62.4708 31.4322 175.7155 62 K 4.3370 8.3997 127.0133 55.8222 33.7959 177.4850 63 E 3.8902 8.8152 121.4265 59.4187 29.5784 178.5960 64 S 4.2469 8.0051 111.8089 60.6114 63.2876 174.6247 65 S 4.2092 7.7196 115.8708 58.5443 62.4455 174.0210 66 L 4.3454 8.3698 125.6279 56.6053 42.3639 178.3027 67 S 4.3509 8.3434 115.7109 61.3048 63.5118 174.3027 68 C 5.3214 7.9727 113.8991 57.9211 32.5074 173.7296 69 F 4.6572 8.9208 124.5018 56.2704 40.4910 174.9161 70 K 4.3532 8.1671 126.6593 56.5035 32.5619 177.0813 71 L 4.6400 8.7359 125.5644 54.1601 43.7896 175.2680 72 H 4.6230 6.7234 114.2344 54.6037 30.6378 173.4487 73 E 3.9986 7.9995 120.5232 56.2502 30.8273 175.9651 74 N 4.4728 8.8371 122.9802 55.0272 38.6110 175.7272 75 G 4.0218 9.1696 111.5749 45.6649 0.0000 173.5308 76 V 4.3209 7.3468 120.0014 59.9596 31.0034 173.8713 77 P 3.7726 0.0000 0.0000 64.7064 31.6973 177.7492 78 E 4.0173 7.9705 114.0465 57.8643 30.4459 176.9323 79 N 4.5976 7.8405 121.8837 51.7909 37.3907 173.8482 80 Q 4.2232 7.7055 118.5998 56.3563 29.7430 177.0212 81 L 4.5794 8.1478 121.8907 54.3183 42.8754 178.1685 82 G 3.8396 8.4831 109.5798 44.5510 0.0000 172.5226 83 L 5.2407 8.0232 117.1740 54.0782 44.8604 175.4547 84 I 4.4504 8.9895 121.3710 61.0092 38.5157 175.3281 85 N 5.2618 9.4557 128.1753 52.2960 37.3520 175.0606 86 L 4.2717 8.4133 123.8555 57.0191 42.3244 178.3946 87 K 3.7511 8.4676 118.2325 58.7347 32.3917 175.7518 88 F 5.3733 7.6052 118.3772 55.6306 40.8676 174.9529 *90 I 4.3879 8.2098 117.3231 60.0007 39.1939 173.2228 91 P 4.1119 0.0000 0.0000 62.0525 32.1521 175.0391 92 I 4.5361 7.7828 113.3827 57.8966 40.7335 174.6645 93 I 4.3599 7.1436 120.5442 59.3182 38.8080 176.5913 94 E 3.3903 8.8713 125.6396 59.5140 29.4406 179.0516 95 A 4.2024 7.7646 118.8092 53.4780 19.0591 177.1920 96 E 4.5784 8.7319 115.1209 55.6546 31.2492 175.4974 97 V 4.6730 7.3203 120.1264 61.0628 33.9924 174.9271 98 S 4.8226 9.1432 121.1961 56.4424 65.7919 172.9953 99 L 4.2358 8.7307 127.0273 54.2394 42.2641 176.8993 100 L 3.9958 8.5852 124.2103 54.4715 42.2505 178.2765 101 D 4.6899 8.3969 124.1364 53.5025 39.3704 176.6125 102 L 3.9952 7.7724 121.4310 57.4925 42.3290 179.1843 103 G 3.7661 8.0551 105.3558 46.7032 0.0000 173.2242 104 N 4.7155 7.8735 117.2761 50.6065 39.1502 171.5985 *106 P 4.0676 0.0000 0.0000 61.5741 32.6287 176.3329 107 N 4.3998 8.7962 120.6105 54.3262 38.2554 173.7600 108 T 4.8080 7.9973 114.7253 58.6381 72.2866 173.0931 109 P 4.1840 0.0000 0.0000 66.2188 31.3752 177.4610 110 Y 4.1328 7.9649 117.4387 60.4582 38.9793 176.7382 111 K 3.6515 8.0775 120.9916 59.5649 32.5290 179.3940 112 R 4.0948 8.2808 115.2091 56.8908 29.4461 178.2807 *114 L 3.8102 8.0104 120.4160 54.9306 43.6597 178.9798 115 Y 4.2458 7.4837 116.0480 60.7380 37.5915 178.1862 116 K 3.9822 7.9672 119.2120 59.7010 32.1589 179.1711 117 Q 4.0792 8.0967 117.4266 58.9718 28.7734 178.2159 118 L 3.9675 8.7144 121.7189 58.6273 42.0938 178.8894 119 Q 4.0381 8.3080 119.0834 59.2250 28.7660 178.0206 120 F 4.3438 7.9875 120.5976 61.3753 39.7739 176.8803 121 I 3.7509 8.3672 119.9732 64.2540 36.6445 178.3687 122 R 3.8175 8.3090 118.8236 59.0613 30.0394 177.6017 123 A 4.3725 7.6640 117.3353 52.4796 18.9744 177.1136 124 N 4.8116 7.4043 114.2104 52.4397 40.3683 176.4916 125 S 3.9329 8.2227 116.8191 62.0169 62.6902 176.3525 126 D 4.2144 7.8819 120.3580 57.4074 40.6526 178.5870 127 K 3.7762 7.9819 118.3018 59.8976 31.9666 178.9060 128 I 3.2640 7.3373 119.2986 64.1352 36.9139 178.0041 129 A 4.6887 8.2335 123.0299 54.7885 18.2659 179.6076 130 S 3.9680 8.7446 111.9382 61.5027 62.3803 176.6177 131 K 4.0027 8.3059 121.5645 59.4656 31.7983 179.6177 132 S 3.9598 8.1717 115.5420 61.5793 62.7807 175.7572 133 D 4.1876 8.0956 120.7510 58.0190 40.8496 178.5308 134 T 3.8333 7.8004 115.4981 66.5138 68.5260 176.1688 135 L 3.9366 8.0908 122.3587 58.1977 41.9929 179.0542 136 R 3.7598 7.7749 118.2718 59.5171 30.0311 177.7170 137 N 4.3327 8.0242 116.1709 56.6641 38.6595 176.9776 138 L 3.9215 8.0585 119.7029 57.9824 41.9254 179.5217 139 V 3.5940 8.3232 118.2272 66.4358 31.1819 178.1296 140 L 4.0792 8.5578 117.4036 57.9555 41.6220 179.3160 141 Q 4.2173 8.3907 116.6121 56.8728 28.5617 177.2353 142 G 3.9052 7.7841 107.6022 46.1982 0.0000 173.9089 143 K 4.4099 7.6247 117.0284 55.9353 32.0215 176.5079 *145 Q 3.9337 7.8942 116.4927 56.9583 29.8392 176.3364 146 G 3.7628 8.6927 105.5219 46.2142 0.0000 173.5396 147 T 4.2651 6.6761 110.7326 59.4629 71.0536 174.0652 148 C 4.4358 8.0956 119.2306 60.0016 28.6600 174.8730 149 N 4.4671 9.6193 122.4485 51.8529 36.4231 175.4268 150 F 4.7027 7.6009 123.9960 60.4684 39.3271 176.3660 151 S 4.1791 8.3114 111.7668 61.6680 62.1328 176.0547 152 L 3.9637 8.0691 122.1378 58.0089 41.9564 178.5983 153 L 3.9077 8.8001 119.8625 58.0082 41.4027 179.3044 154 E 4.0403 8.7102 117.4654 59.3867 29.3967 178.9593 155 E 4.0883 7.7533 118.5485 59.2410 30.1250 178.5610 156 K 4.0696 7.9870 117.9774 58.2268 31.9779 178.7344 157 Y 4.3355 8.0651 117.9716 60.3198 38.1877 178.5210 158 R 3.9668 7.0851 118.6628 57.9997 29.8554 177.2987 159 D 4.5638 7.7207 117.8969 54.6191 40.9547 177.6169 160 F 3.2517 8.4586 124.0027 61.3192 39.3795 178.1016 161 G 3.7007 7.8940 104.7161 45.5595 0.0000 173.4179 162 K 4.0388 7.6515 125.3425 56.2048 33.0079 176.2028 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 K 8.17 4.00 0.00 1.57 1.54 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.41 7.81 3 F 8.09 5.15 0.00 2.98 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 4 Y 9.60 5.47 0.00 2.92 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 5 T 9.44 5.30 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 1.34 0.00 0.00 6 I 8.23 5.05 1.74 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 1.03 0.15 0.93 0.00 0.00 7 S 8.84 4.25 0.00 3.96 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 8 S 8.94 4.28 0.00 3.96 4.02 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 9 K 8.25 4.02 0.00 2.43 2.31 0.00 1.90 0.00 0.00 1.91 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.63 1.67 7.81 10 Y 7.82 3.60 0.00 2.44 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 I 7.42 3.87 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.04 1.01 0.00 0.00 12 E 8.48 4.14 0.00 2.32 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 0.00 2.38 2.58 0.00 13 Y 8.44 4.35 0.00 3.36 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 14 L 7.53 3.72 0.00 1.58 1.57 0.68 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.60 4.25 0.00 1.91 1.85 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.25 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.54 7.81 16 E 8.05 3.91 0.00 1.61 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 2.23 2.47 0.00 17 F 7.77 4.92 0.00 2.98 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 18 D 7.58 4.38 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.66 4.42 0.00 2.80 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.52 3.99 0.00 2.23 2.08 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.82 1.79 7.81 21 V 7.60 3.63 2.23 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 0.80 0.00 0.00 0.99 0.00 0.00 22 P 0.00 4.27 0.00 2.38 2.11 0.00 3.99 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 23 N 8.66 4.43 0.00 2.83 2.85 0.00 0.00 6.90 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.86 4.66 0.00 3.98 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 25 E 7.93 4.86 0.00 1.98 1.79 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 2.27 2.35 0.00 26 D 8.07 4.36 0.00 1.58 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 0.00 0.00 0.00 0.00 27 P 0.00 4.10 0.00 2.01 2.09 0.00 3.55 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 28 T 8.08 4.22 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 1.34 0.00 0.00 29 Y 7.92 4.63 0.00 3.05 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 30 Q 8.06 3.83 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 31 N 7.32 4.58 0.00 2.20 2.41 0.00 0.00 6.90 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 32 P 0.00 4.49 0.00 2.25 2.11 0.00 3.67 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 33 K 8.63 3.79 0.00 1.74 1.89 0.00 1.59 0.00 0.00 2.03 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.07 1.13 7.81 34 A 8.29 5.32 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 35 F 9.69 5.33 0.00 3.00 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 36 I 9.26 4.50 1.96 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.16 0.96 0.00 0.00 37 G 8.56 4.22 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 0.00 0.00 0.00 38 I 7.93 4.06 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.13 0.94 0.00 0.00 39 V 7.45 3.72 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 0.82 0.00 0.00 1.02 0.00 0.00 40 L 7.55 4.67 0.00 1.50 1.41 0.53 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.56 5.47 0.00 1.91 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 2.17 2.36 0.00 42 I 8.43 4.39 1.87 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 1.43 0.98 0.96 0.00 0.00 43 Q 9.70 3.28 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.47 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 44 G 8.17 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 45 H 8.62 4.90 0.00 3.35 3.01 0.00 5.59 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.40 4.88 0.00 1.59 1.62 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.42 7.81 47 Y 8.87 4.97 0.00 2.94 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.87 5.53 0.00 1.47 1.66 0.51 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.68 5.19 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 50 P 0.00 4.06 0.00 2.09 2.08 0.00 4.09 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 51 L 8.34 4.78 0.00 1.72 1.63 1.07 1.29 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 52 T 8.40 4.67 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 53 S 8.66 4.68 0.00 3.88 3.82 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 54 P 0.00 3.95 0.00 1.94 1.91 0.00 3.56 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.12 0.00 55 K 6.84 4.45 0.00 0.79 1.20 0.00 1.54 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.39 7.81 56 K 8.40 3.93 0.00 1.90 1.86 0.00 1.63 0.00 0.00 2.04 0.00 0.00 3.19 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.55 7.81 57 W 7.75 4.60 0.00 3.64 3.38 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 58 H 7.38 4.15 0.00 2.94 3.12 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 7.71 4.14 0.00 2.66 2.88 0.00 0.00 6.98 7.88 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 60 N 7.95 4.48 0.00 2.83 2.95 0.00 0.00 6.96 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 61 V 7.34 3.76 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 0.84 0.00 0.00 1.33 0.00 0.00 62 K 8.40 4.34 0.00 1.99 1.92 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.43 7.81 63 E 8.82 3.89 0.00 1.90 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 2.28 2.34 0.00 64 S 8.01 4.25 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 4.21 0.00 3.89 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.37 4.35 0.00 1.67 1.72 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.34 4.35 0.00 3.82 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 68 C 7.97 5.32 0.00 2.84 2.95 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 69 F 8.92 4.66 0.00 3.19 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 70 K 8.17 4.35 0.00 1.48 1.62 0.00 1.94 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.37 7.81 71 L 8.74 4.64 0.00 1.74 1.51 1.41 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 72 H 6.72 4.62 0.00 3.02 2.99 0.00 5.74 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 73 E 8.00 4.00 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 74 N 8.84 4.47 0.00 2.84 2.89 0.00 0.00 7.02 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 9.17 4.02 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 0.00 0.00 0.00 76 V 7.35 4.32 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 1.04 0.00 0.00 0.94 0.00 0.00 77 P 0.00 3.77 0.00 1.97 1.91 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 78 E 7.97 4.02 0.00 2.03 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 2.24 2.21 0.00 79 N 7.84 4.60 0.00 2.79 2.82 0.00 0.00 7.06 6.22 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 80 Q 7.71 4.22 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.23 7.24 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 81 L 8.15 4.58 0.00 1.47 1.57 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.48 3.84 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 0.00 0.00 0.00 83 L 8.02 5.24 0.00 1.86 1.64 0.97 0.39 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 84 I 8.99 4.45 2.08 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.26 1.01 0.00 0.00 85 N 9.46 5.26 0.00 3.05 3.05 0.00 0.00 6.77 6.70 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 86 L 8.41 4.27 0.00 1.88 1.74 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.47 3.75 0.00 1.38 1.83 0.00 1.09 0.00 0.00 1.41 0.00 0.00 2.46 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.12 0.21 7.81 88 F 7.61 5.37 0.00 3.08 3.06 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 *90 I 8.21 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1.65 7.81 117 Q 8.10 4.08 0.00 2.39 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 118 L 8.71 3.97 0.00 2.20 2.06 1.05 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 8.31 4.04 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 120 F 7.99 4.34 0.00 3.01 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 0.00 121 I 8.37 3.75 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.15 0.78 0.00 0.00 122 R 8.31 3.82 0.00 1.81 2.08 0.00 3.24 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 123 A 7.66 4.37 1.28 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 0.00 0.00 124 N 7.40 4.81 0.00 2.42 2.45 0.00 0.00 6.91 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 0.00 125 S 8.22 3.93 0.00 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0.00 0.00 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 T 7.80 3.83 4.35 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 1.21 0.00 0.00 135 L 8.09 3.94 0.00 1.82 1.80 0.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 136 R 7.77 3.76 0.00 1.26 1.81 0.00 2.53 0.00 0.00 2.86 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.38 0.00 137 N 8.02 4.33 0.00 3.02 2.87 0.00 0.00 7.11 6.02 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 0.00 138 L 8.06 3.92 0.00 1.89 1.74 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.32 3.59 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.08 0.00 0.00 140 L 8.56 4.08 0.00 1.85 1.76 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 8.39 4.22 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.25 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 142 G 7.78 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.62 4.41 0.00 1.78 1.82 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.39 7.81 *145 Q 7.89 3.93 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.88 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 146 G 8.69 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 0.00 147 T 6.68 4.27 4.05 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 1.06 0.00 0.00 148 C 8.10 4.44 0.00 2.99 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 0.00 149 N 9.62 4.47 0.00 2.66 2.70 0.00 0.00 7.43 5.12 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 0.00 150 F 7.60 4.70 0.00 3.14 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 0.00 151 S 8.31 4.18 0.00 3.95 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 0.00 152 L 8.07 3.96 0.00 1.89 1.78 1.05 0.61 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 0.00 153 L 8.80 3.91 0.00 1.98 1.68 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 154 E 8.71 4.04 0.00 2.16 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 2.05 2.55 0.00 155 E 7.75 4.09 0.00 1.91 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 0.00 2.31 2.33 0.00 156 K 7.99 4.07 0.00 0.93 0.78 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.66 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.22 0.36 7.81 157 Y 8.07 4.34 0.00 3.25 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 R 7.09 3.97 0.00 1.61 1.82 0.00 2.92 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.58 0.00 159 D 7.72 4.56 0.00 2.98 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 0.00 160 F 8.46 3.25 0.00 3.38 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 0.00 161 G 7.89 3.70 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 0.00 0.00 0.00 162 K 7.65 4.04 0.00 1.61 1.59 0.00 1.54 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.31 7.81 * Residues marked with a * may have inaccurate shift predictions.