NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2584 8.1593 117.3739 63.5916 69.4546 174.0814 2 S 4.4403 8.3478 122.2999 55.7894 66.5534 173.1964 3 K 4.0376 8.4894 121.7940 59.6123 32.2633 179.4558 4 K 3.8681 8.0819 119.4320 59.6136 31.8182 178.3867 5 K 4.0255 7.6561 118.3681 59.0261 32.1781 178.0583 6 R 4.3095 7.5489 115.8541 56.6876 30.6231 177.9757 7 Q 4.1963 7.8587 119.8252 57.5482 28.4062 175.6156 8 R 3.9254 7.6816 118.3903 59.9614 29.8015 175.5358 9 G 3.9193 8.8532 112.1169 45.7187 0.0000 174.2488 10 S 4.1131 8.1904 114.4457 58.9374 63.1835 173.8686 11 R 4.1340 7.8504 124.0073 57.3305 29.2747 176.5292 12 T 4.2158 7.5970 105.1933 61.7652 69.6844 174.1819 13 H 4.5361 8.4041 117.7540 55.9562 27.2050 175.8227 14 G 3.9352 8.3180 105.4018 45.8348 0.0000 175.3995 15 G 3.8483 8.2828 107.9455 45.7872 0.0000 174.7311 16 G 3.9974 7.2565 109.7340 45.4157 0.0000 177.4395 17 S 4.3567 8.6235 118.7960 57.6708 62.6834 173.9095 18 H 4.4300 8.7567 120.5651 57.3002 28.5475 176.0015 19 K 4.0730 7.7478 118.9193 56.8206 31.6191 177.4383 20 N 4.3779 7.3063 117.5007 55.5098 39.1161 176.9722 21 R 4.4701 7.4805 122.6010 56.5874 29.0288 177.7039 22 R 4.5937 7.4673 122.9034 56.2363 30.8754 180.5427 23 G 4.0453 8.5743 120.4983 45.4003 0.0000 173.0143 24 A 4.3640 8.6219 121.7991 53.8695 18.5783 179.8648 25 G 3.5245 8.0018 104.5714 47.7208 0.0000 175.2362 26 H 4.4267 7.8992 118.1515 58.1360 29.9452 176.3836 27 R 4.4817 7.8546 117.1286 55.2597 30.9272 176.6328 28 G 3.8156 7.5024 106.9414 45.4727 0.0000 172.5837 29 G 4.0945 7.3048 104.8649 43.1803 0.0000 173.7967 30 R 4.4780 8.4923 118.6746 55.4325 32.3508 176.7891 31 G 3.9583 8.4012 110.3065 47.3113 0.0000 173.9754 32 D 4.6655 8.6366 124.2110 54.2103 40.6883 175.6860 33 A 3.9115 7.3802 122.6842 53.9676 18.8538 178.4194 34 G 3.9292 8.9656 108.4149 46.3998 0.0000 175.5112 35 R 3.8877 7.6615 116.2447 57.4034 29.2766 177.2072 36 D 4.9857 7.8798 115.9826 52.6880 42.0286 175.0672 37 K 4.5333 8.7251 116.7486 57.6681 32.3563 177.2854 38 H 4.6004 9.8520 124.3177 58.2968 28.2555 176.5491 39 E 4.7028 7.7132 120.0729 55.6623 30.1224 177.9594 40 F 4.9953 8.3585 115.7176 59.2228 38.2750 175.4634 41 H 3.5632 6.3529 117.3764 57.2648 29.0681 174.8727 42 N 4.1810 8.7515 120.2782 54.8276 35.7658 174.5087 43 H 4.7741 7.9000 112.6831 53.5660 32.4363 173.9462 44 E 3.9862 9.0362 124.4774 55.8082 29.7163 175.1925 45 P 4.3692 0.0000 0.0000 62.6972 31.7177 175.9374 46 L 4.1127 8.1017 119.2421 55.1806 42.2513 175.8644 47 G 4.1981 8.2683 106.5985 43.3569 0.0000 173.4400 48 K 4.4247 8.1812 121.3423 55.2540 33.3793 176.6918 49 S 4.4229 8.1860 116.3027 57.7492 65.3895 175.2050 50 G 4.0499 9.2218 117.3506 44.8833 0.0000 171.7993 51 F 5.0448 8.5042 111.9366 55.2199 40.9839 173.5321 52 K 4.2524 8.3330 119.7662 54.4275 34.7951 176.5712 53 R 4.3215 8.0813 122.6205 54.3623 31.2990 174.6166 54 P 4.2618 0.0000 0.0000 63.3202 31.4340 177.2186 55 Q 4.4341 9.0914 120.3705 58.0112 28.7347 177.6464 56 K 4.3752 7.9621 114.4737 56.7517 32.7792 176.9022 57 V 4.3096 7.8929 116.9703 62.7993 32.2205 174.6955 58 Q 4.6021 7.7697 118.0111 54.4861 30.3611 174.4491 59 E 4.4876 8.5452 122.0913 55.1571 31.2500 175.3055 60 E 4.4667 8.5007 122.8828 54.4042 31.9192 174.4885 61 A 4.1726 8.2517 128.6337 50.6051 20.7514 175.9879 62 A 4.4717 9.0302 124.0110 50.9598 20.1961 176.7975 63 T 5.0090 8.2145 112.7947 60.4432 71.3572 174.4325 64 I 4.2965 7.7449 120.8836 60.5270 41.7177 173.4568 65 D 5.7447 8.5951 128.6127 53.0391 42.0503 177.8251 66 V 3.7033 8.3871 115.2096 64.5978 31.5509 178.7775 67 R 3.8671 7.6343 117.7384 59.3176 29.5861 178.2410 68 E 3.8768 7.8451 117.7028 59.7418 29.9446 178.2482 69 I 3.6778 7.8363 119.2659 64.3898 37.0065 177.2527 70 D 4.3326 8.5840 118.4019 57.9765 40.9582 179.0292 71 E 4.1022 8.0404 116.7411 58.2352 29.1599 177.4391 72 N 4.9422 7.9787 116.4678 52.9463 39.6289 177.2319 73 V 3.1215 7.4956 114.0288 64.7645 31.2708 178.4730 74 T 3.7789 7.4554 107.5460 64.8093 68.5957 175.8564 75 L 4.1270 7.2131 120.4305 56.2753 43.0088 178.3969 76 L 4.3589 7.1929 120.9723 53.4786 38.3038 176.4663 77 A 4.1271 7.6431 122.9179 54.9343 19.2572 178.3089 78 A 4.4559 7.7755 117.7454 52.4823 18.6026 176.5017 79 D 4.8598 7.7008 117.4232 53.7259 45.1715 175.2955 80 D 4.4404 8.7082 119.9509 55.4685 41.4593 176.9719 81 V 4.5822 8.0390 122.2515 61.0713 31.4635 175.5051 82 A 4.3065 7.5354 125.1632 51.1904 20.1099 177.5305 83 E 3.8164 8.7186 113.0234 58.9849 29.7568 176.8472 *89 F 4.5124 7.7960 118.4907 57.5060 40.8169 173.5554 90 R 5.0795 8.4318 124.1449 54.6825 31.4522 175.6640 91 V 4.4183 8.9263 126.4072 59.9463 34.7750 174.5575 92 D 4.6599 8.8015 125.4479 52.7659 40.6515 176.2448 93 V 3.6351 8.5462 128.4849 66.0838 31.7538 178.4304 94 R 3.9106 8.2691 117.3694 59.4567 29.9233 176.8960 95 D 4.7426 8.0625 114.9435 54.4146 40.8374 176.2673 96 V 4.1322 7.8846 118.4032 64.3078 33.1896 176.4625 97 V 3.6229 7.6178 118.1222 62.8487 30.3633 175.5371 98 E 4.1808 8.6045 126.2587 56.9264 30.1697 176.3201 99 E 3.9058 8.6803 116.3222 57.5833 26.7800 176.0025 100 A 4.1543 7.3808 122.9646 54.6026 18.6666 179.7785 101 D 4.4699 7.9397 115.7023 57.4446 41.1103 177.8689 102 D 4.7208 7.7519 117.1926 53.8477 40.2316 175.9144 103 A 4.9114 7.5282 120.6599 50.1542 21.8911 176.5449 104 D 4.7121 8.7183 123.1178 57.6529 41.4677 176.2253 105 Y 4.8496 7.1924 113.4974 56.3672 41.5428 173.2421 106 V 4.6143 9.0465 120.5268 61.1836 33.5330 174.1087 107 K 4.9474 9.3568 129.8071 54.5915 34.9497 174.6559 108 V 4.5885 8.5764 127.5254 61.4592 33.1232 174.4613 109 L 4.5947 9.0888 128.6841 53.5191 44.1576 176.3483 110 G 4.3522 8.7068 109.9452 44.5113 0.0000 170.8962 111 A 4.5964 8.2589 126.2118 52.9291 22.0431 174.0799 112 G 3.6578 8.8019 107.8238 44.9972 0.0000 172.2855 113 Q 4.5209 8.2942 117.2197 54.6276 30.3427 176.3216 114 V 4.4403 7.8160 118.9440 61.4022 31.6166 174.8187 115 R 4.4099 8.3406 126.8864 55.8633 30.2980 176.1678 116 H 4.8339 7.7785 113.1313 54.5037 32.8604 172.8726 117 E 4.5911 8.7774 119.5192 55.8755 30.1057 175.7815 118 L 5.0462 8.5899 124.2652 53.2167 45.6337 175.9850 119 T 4.9187 9.0195 120.9207 61.8914 69.1300 172.1697 120 L 4.9728 8.5128 125.4733 53.9450 43.9240 175.6070 121 I 5.7365 8.9049 123.3693 58.8598 40.2058 174.4921 122 A 4.7347 8.6921 127.0947 50.7615 21.9490 176.3945 123 D 4.4214 8.6911 118.5513 57.2812 42.2057 176.2914 124 D 4.7457 7.9214 116.6276 52.9431 44.9991 174.3230 125 F 5.4293 8.6759 122.0200 55.8407 43.3405 174.3837 126 S 4.6728 8.5087 116.4096 57.1154 65.2159 174.8606 127 E 4.0721 8.9259 120.6673 59.4791 29.3585 179.1022 128 G 3.6402 8.1138 105.1284 47.3977 0.0000 175.4951 129 A 4.1153 8.0142 123.1420 55.4243 18.4061 179.5666 130 R 3.8418 8.1934 116.7085 58.9036 30.0443 178.6903 131 E 3.9257 8.2468 117.8596 60.0016 29.5027 180.0331 132 K 3.9071 7.6760 116.0995 59.4391 32.3618 179.4343 133 V 3.7564 7.5322 117.9680 66.1248 31.4819 178.0538 134 E 4.7978 7.7989 119.8582 58.7980 29.0971 179.1266 135 G 3.7654 8.3405 103.7650 46.0424 0.0000 174.2955 136 A 4.6686 7.5923 121.6919 50.8380 20.7288 176.0775 137 G 3.5907 8.9809 105.7283 46.0681 0.0000 172.8732 138 G 4.3806 7.3148 105.1320 45.1219 0.0000 171.5557 139 S 5.1833 8.4788 114.4011 56.2077 66.7412 173.1572 140 V 4.4336 8.0018 119.0829 61.1148 33.9235 174.1405 141 E 4.5988 9.2774 128.3203 54.4189 31.4967 175.0743 142 L 4.8796 8.5135 127.5863 54.9079 43.1730 176.6861 143 T 4.2505 8.4224 122.7968 63.2869 69.5555 175.2516 144 D 4.6524 8.6309 121.1936 56.8932 41.3055 178.1920 145 L 4.0727 8.0465 121.0869 57.8577 42.5872 178.4090 146 G 3.8658 7.8410 105.4951 46.4106 0.0000 173.7201 147 E 4.3633 7.9159 119.3496 56.8806 29.2397 178.3935 148 E 4.2117 7.7703 120.2747 58.0083 29.9288 177.9046 149 R 4.1480 7.7737 117.4523 55.2902 28.3121 176.2040 150 Q 4.3173 8.1341 122.2514 56.7934 29.3761 173.2528 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 T 8.16 4.26 4.24 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 1.21 0.00 0.00 2 S 8.35 4.44 0.00 4.09 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 3 K 8.49 4.04 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.49 7.81 4 K 8.08 3.87 0.00 1.86 1.80 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.53 7.81 5 K 7.66 4.03 0.00 1.75 2.01 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.55 4.31 0.00 1.95 1.93 0.00 3.21 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 7 Q 7.86 4.20 0.00 1.93 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.96 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 8 R 7.68 3.93 0.00 1.79 1.92 0.00 3.37 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 9 G 8.85 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 10 S 8.19 4.11 0.00 3.96 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 11 R 7.85 4.13 0.00 1.98 2.07 0.00 3.22 0.00 0.00 3.27 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 12 T 7.60 4.22 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 1.32 0.00 0.00 13 H 8.40 4.54 0.00 3.29 3.39 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 14 G 8.32 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 15 G 8.28 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 16 G 7.26 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 0.00 0.00 0.00 17 S 8.62 4.36 0.00 3.88 3.72 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 18 H 8.76 4.43 0.00 3.32 3.39 0.00 5.57 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 19 K 7.75 4.07 0.00 1.72 1.81 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.32 1.33 7.81 20 N 7.31 4.38 0.00 2.90 2.58 0.00 0.00 6.95 7.24 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 21 R 7.48 4.47 0.00 1.79 1.92 0.00 3.17 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 22 R 7.47 4.59 0.00 1.74 0.92 0.00 3.21 0.00 0.00 3.20 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 23 G 8.57 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 0.00 0.00 0.00 0.00 24 A 8.62 4.36 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.00 3.52 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 0.00 26 H 7.90 4.43 0.00 3.14 3.48 0.00 5.93 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.85 4.48 0.00 2.10 1.93 0.00 3.31 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 28 G 7.50 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 0.00 0.00 0.00 29 G 7.30 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 0.00 0.00 0.00 0.00 30 R 8.49 4.48 0.00 1.89 1.85 0.00 3.26 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 31 G 8.40 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 32 D 8.64 4.67 0.00 2.74 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 A 7.38 3.91 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 34 G 8.97 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 35 R 7.66 3.89 0.00 1.65 2.09 0.00 2.75 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 36 D 7.88 4.99 0.00 2.74 2.72 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 37 K 8.73 4.53 0.00 1.82 1.65 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.52 7.81 38 H 9.85 4.60 0.00 3.33 3.47 0.00 5.47 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.71 4.70 0.00 2.05 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 2.04 0.00 40 F 8.36 5.00 0.00 3.10 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 41 H 6.35 3.56 0.00 2.90 3.05 0.00 5.81 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 42 N 8.75 4.18 0.00 2.80 2.82 0.00 0.00 6.82 8.16 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 43 H 7.90 4.77 0.00 3.34 3.20 0.00 5.91 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 9.04 3.99 0.00 1.98 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 2.33 2.32 0.00 45 P 0.00 4.37 0.00 2.19 2.12 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 46 L 8.10 4.11 0.00 1.66 1.65 0.92 0.94 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 47 G 8.27 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 0.00 0.00 0.00 48 K 8.18 4.42 0.00 1.77 1.76 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.43 7.81 49 S 8.19 4.42 0.00 3.78 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 50 G 9.22 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 0.00 0.00 0.00 0.00 51 F 8.50 5.04 0.00 3.12 2.91 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 52 K 8.33 4.25 0.00 1.67 1.63 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.22 1.36 7.81 53 R 8.08 4.32 0.00 1.72 1.85 0.00 3.34 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.39 0.00 54 P 0.00 4.26 0.00 2.22 2.22 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 55 Q 9.09 4.43 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.30 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 56 K 7.96 4.38 0.00 1.86 1.89 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.42 7.81 57 V 7.89 4.31 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 0.85 0.00 0.00 0.94 0.00 0.00 58 Q 7.77 4.60 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 59 E 8.55 4.49 0.00 1.98 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 0.00 2.52 2.32 0.00 60 E 8.50 4.47 0.00 1.91 1.69 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 2.06 2.13 0.00 61 A 8.25 4.17 0.62 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 0.00 0.00 62 A 9.03 4.47 1.22 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 63 T 8.21 5.01 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 1.17 0.00 0.00 64 I 7.74 4.30 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.83 0.94 0.00 0.00 65 D 8.60 5.74 0.00 2.75 2.72 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 66 V 8.39 3.70 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 0.92 0.00 0.00 0.98 0.00 0.00 67 R 7.63 3.87 0.00 2.10 2.00 0.00 3.10 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 68 E 7.85 3.88 0.00 2.03 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 2.31 2.33 0.00 69 I 7.84 3.68 2.03 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 1.53 0.71 0.91 0.00 0.00 70 D 8.58 4.33 0.00 2.91 2.71 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 71 E 8.04 4.10 0.00 2.04 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 0.00 2.35 2.55 0.00 72 N 7.98 4.94 0.00 2.64 2.71 0.00 0.00 6.83 7.86 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 73 V 7.50 3.12 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 0.00 0.00 0.53 0.00 0.00 0.44 0.00 0.00 74 T 7.46 3.78 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 1.18 0.00 0.00 75 L 7.21 4.13 0.00 1.53 1.74 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.19 4.36 0.00 1.70 1.73 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.64 4.13 1.29 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 0.00 0.00 78 A 7.78 4.46 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 79 D 7.70 4.86 0.00 2.81 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 80 D 8.71 4.44 0.00 3.08 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 81 V 8.04 4.58 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 0.69 0.00 0.00 1.10 0.00 0.00 82 A 7.54 4.31 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 83 E 8.72 3.82 0.00 2.04 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 2.25 2.31 0.00 *89 F 7.80 4.51 0.00 3.10 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 90 R 8.43 5.08 0.00 1.84 1.87 0.00 3.22 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 91 V 8.93 4.42 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 0.70 0.00 0.00 0.95 0.00 0.00 92 D 8.80 4.66 0.00 2.81 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 93 V 8.55 3.64 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 0.93 0.00 0.00 1.00 0.00 0.00 94 R 8.27 3.91 0.00 2.12 2.00 0.00 3.27 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 95 D 8.06 4.74 0.00 2.81 2.69 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 96 V 7.88 4.13 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 0.75 0.00 0.00 0.96 0.00 0.00 97 V 7.62 3.62 2.06 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 0.82 0.00 0.00 0.98 0.00 0.00 98 E 8.60 4.18 0.00 2.05 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 2.38 2.31 0.00 99 E 8.68 3.91 0.00 2.07 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 2.18 2.33 0.00 100 A 7.38 4.15 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 0.00 101 D 7.94 4.47 0.00 2.67 2.71 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 0.00 102 D 7.75 4.72 0.00 2.76 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 0.00 103 A 7.53 4.91 1.21 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 0.00 0.00 104 D 8.72 4.71 0.00 2.53 2.83 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 0.00 105 Y 7.19 4.85 0.00 3.08 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 0.00 106 V 9.05 4.61 2.06 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 0.86 0.00 0.00 0.92 0.00 0.00 107 K 9.36 4.95 0.00 2.00 1.64 0.00 1.94 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.38 7.81 108 V 8.58 4.59 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 1.07 0.00 0.00 0.62 0.00 0.00 109 L 9.09 4.59 0.00 1.80 1.56 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.71 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 0.00 0.00 0.00 0.00 111 A 8.26 4.60 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 0.00 112 G 8.80 3.66 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 0.00 0.00 0.00 113 Q 8.29 4.52 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 7.06 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 114 V 7.82 4.44 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 0.93 0.00 0.00 0.96 0.00 0.00 115 R 8.34 4.41 0.00 1.75 1.84 0.00 3.23 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 116 H 7.78 4.83 0.00 3.29 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.78 4.59 0.00 2.09 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 2.29 2.43 0.00 118 L 8.59 5.05 0.00 1.63 1.63 1.03 0.86 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 0.00 119 T 9.02 4.92 4.28 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 1.23 0.00 0.00 120 L 8.51 4.97 0.00 1.68 1.96 1.07 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.90 5.74 1.95 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 1.18 0.72 1.08 0.00 0.00 122 A 8.69 4.73 0.73 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 0.00 123 D 8.69 4.42 0.00 2.91 2.69 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 0.00 124 D 7.92 4.75 0.00 2.45 2.43 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 0.00 0.00 0.00 0.00 125 F 8.68 5.43 0.00 2.88 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 0.00 126 S 8.51 4.67 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 0.00 127 E 8.93 4.07 0.00 2.08 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 2.52 2.39 0.00 128 G 8.11 3.64 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 0.00 0.00 0.00 129 A 8.01 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.19 3.84 0.00 2.06 1.90 0.00 3.18 0.00 0.00 3.13 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.80 0.00 131 E 8.25 3.93 0.00 2.05 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 2.56 0.00 132 K 7.68 3.91 0.00 1.83 1.90 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.63 7.81 133 V 7.53 3.76 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 1.02 0.00 0.00 1.07 0.00 0.00 134 E 7.80 4.80 0.00 2.03 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 2.38 2.13 0.00 135 G 8.34 3.77 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 0.00 0.00 0.00 136 A 7.59 4.67 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 0.00 137 G 8.98 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 0.00 138 G 7.31 4.38 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 0.00 139 S 8.48 5.18 0.00 3.80 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 0.00 140 V 8.00 4.43 1.70 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 -0.64 0.00 0.00 0.46 0.00 0.00 141 E 9.28 4.60 0.00 1.92 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 2.22 2.20 0.00 142 L 8.51 4.88 0.00 1.70 1.61 1.28 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 0.00 143 T 8.42 4.25 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 1.23 0.00 0.00 144 D 8.63 4.65 0.00 2.67 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 0.00 145 L 8.05 4.07 0.00 1.69 1.78 1.07 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.84 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 0.00 0.00 0.00 147 E 7.92 4.36 0.00 2.15 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 2.32 2.51 0.00 148 E 7.77 4.21 0.00 1.89 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 2.27 2.48 0.00 149 R 7.77 4.15 0.00 1.79 1.90 0.00 3.32 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 150 Q 8.13 4.32 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.