NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8292 8.3549 109.7251 45.2818 0.0000 172.9688 *2 E 3.8411 7.7041 119.2007 56.8307 31.0841 174.7390 3 Y 4.5600 6.9905 118.1142 56.5172 40.7069 173.1211 4 Q 4.5350 8.4200 118.3095 53.8656 31.9958 175.1375 5 L 4.6990 8.4060 124.6327 54.2699 43.4749 175.6362 6 Q 4.7066 9.1556 124.0459 54.2535 33.6906 173.4908 7 Q 5.2097 8.8942 122.8903 54.5036 31.3964 174.3766 8 L 4.9782 9.3246 126.6730 52.9940 44.3692 176.4475 9 A 4.7082 8.5708 124.7798 51.0042 19.9249 176.8622 10 S 4.4292 8.6057 114.0156 59.0188 63.0134 173.4524 11 L 4.8874 8.9251 125.6941 53.2541 46.2022 175.3990 12 T 4.7885 8.3383 118.3872 62.4366 70.2948 173.6004 13 L 5.2645 8.9485 127.0335 52.7164 45.1003 175.8494 14 V 4.5967 8.5643 122.3645 59.4873 34.1162 174.7231 15 G 3.8629 8.0743 113.5862 46.1373 0.0000 171.8053 16 I 4.9698 8.5710 124.7617 59.3485 39.6802 175.1758 17 K 4.9762 9.7132 128.7932 54.6906 34.3462 175.0359 18 E 4.7677 9.7913 126.0036 54.8113 33.5346 174.9944 19 T 4.6722 8.0765 118.5185 61.8713 69.9120 173.2978 20 Y 4.9787 7.9609 121.5541 55.8067 41.3092 176.6241 21 E 4.2215 9.3962 121.4282 59.4668 29.8892 176.7731 22 N 5.2108 7.1532 114.2925 51.7520 41.5585 175.4925 23 G 3.7606 8.6143 107.1117 47.8602 0.0000 175.8874 24 R 3.8735 7.9877 120.3406 59.5420 30.0978 178.2423 25 Q 4.1577 8.7077 118.1590 59.0076 29.4360 177.6198 26 A 3.0067 8.1551 121.9941 54.8832 18.4097 179.3354 27 Q 3.8440 8.1798 118.1146 59.4738 28.9351 178.5065 28 Q 4.1265 8.0323 117.4126 58.1185 28.9548 177.1738 29 H 4.6924 7.6009 115.4661 55.7852 29.8715 176.5971 30 I 3.3640 7.0761 120.9650 64.3232 36.9608 177.7806 31 A 4.2159 8.1156 120.9317 55.4393 18.2484 179.8370 32 G 3.6610 8.1452 103.5988 47.5874 0.0000 175.5364 33 F 4.1447 8.5078 123.0613 61.1666 39.4136 177.1354 34 W 4.2254 8.5847 118.5197 59.8490 28.8681 178.1230 35 Q 4.1880 8.5027 119.3264 59.5918 28.5034 178.7090 36 R 4.0110 8.6934 119.1931 59.6156 30.1041 178.9266 37 C 4.1732 8.4521 116.5004 62.8329 28.0675 175.7864 38 Y 3.9939 8.5497 118.7265 61.3425 37.3352 178.5744 39 Q 4.1245 8.4435 117.8379 58.9725 28.9562 178.1796 40 E 4.3446 8.3186 116.6868 56.1900 30.0383 177.5598 41 G 3.9519 8.1636 108.0280 46.3610 0.0000 175.9735 42 V 3.6715 7.9658 121.5838 65.6616 31.4124 178.2672 43 I 3.5022 7.5524 118.9301 64.2480 36.6266 178.0351 44 A 4.1788 7.9010 121.0141 55.2341 18.3249 179.2449 45 D 4.3490 8.0455 117.2005 57.5997 41.0751 178.9948 46 L 3.8121 8.1755 119.7763 57.7268 41.3397 179.2989 47 Q 3.9995 7.8267 116.9454 59.4129 28.8255 179.3282 48 L 4.1524 7.4027 117.6759 57.4899 41.7547 179.0927 49 K 4.2612 7.6880 116.1004 56.3198 32.3594 176.8015 50 N 4.4938 7.4778 119.4577 53.6543 39.0408 174.0851 51 N 4.5567 8.6012 122.5726 52.7883 37.7492 176.2155 52 G 3.9652 8.8923 108.0433 45.6178 0.0000 174.4423 53 D 4.4809 8.4436 119.8007 56.5731 40.9831 177.0416 54 L 4.6112 7.5876 117.2759 52.7913 43.9671 177.4198 55 A 4.3022 8.6797 127.7263 48.4208 17.0481 176.3579 56 G 4.3129 7.3317 111.2151 44.5117 0.0000 169.1983 57 I 4.4480 8.0271 120.6652 60.2093 39.0202 175.2757 58 L 5.0989 9.3694 127.3250 53.2764 44.0744 175.9154 59 G 4.3871 9.4527 111.5291 44.0106 0.0000 171.6225 60 L 5.0427 7.4855 129.0013 53.0230 44.6663 174.5981 61 C 4.8986 8.5668 124.3165 58.3016 29.9696 172.7136 62 I 4.5589 8.6135 126.0767 58.6855 38.2494 174.1651 63 P 4.4392 0.0000 0.0000 62.5212 31.7920 175.8064 64 E 4.8145 8.4703 121.0732 53.7764 33.2347 175.7176 65 L 4.1060 8.1864 118.9307 56.3186 42.0313 177.0550 66 D 4.4030 9.3964 118.0349 55.6673 38.3576 175.3889 67 G 4.0061 8.3329 105.5286 45.7171 0.0000 175.8398 68 K 4.9134 7.4275 119.4078 55.4854 33.5406 175.9064 *70 S 4.8124 8.3131 114.6838 59.7834 64.8076 172.2542 71 Y 5.6345 8.9455 122.5259 54.7706 43.0971 173.8448 *73 I 3.7507 8.0854 119.3955 61.0399 38.5893 175.1666 74 A 4.8541 8.4909 127.4459 51.0198 23.2979 174.5758 75 V 4.6243 8.2500 118.1553 60.8591 36.0223 174.6443 76 T 4.3252 8.4103 115.1896 60.2920 69.8590 172.8850 77 G 4.0557 8.3865 118.5797 46.5634 0.0000 176.1879 *83 I 4.2809 8.7179 126.3655 60.7914 38.8356 176.4723 84 A 4.1178 8.1592 122.6922 54.4732 18.3582 178.1674 85 K 4.2015 7.7574 111.5507 57.0434 33.3541 175.8178 86 Y 4.9008 7.2007 116.8250 56.2134 40.5245 174.8959 87 D 4.6511 8.8098 122.5392 54.4252 42.2388 175.6441 88 V 4.9737 8.3436 121.9385 61.0946 34.2735 174.3711 89 I 4.7428 8.7554 120.2162 59.4742 41.6760 173.9546 90 T 4.8408 8.3490 119.0374 61.8984 70.1951 174.2316 91 L 4.4445 9.0937 129.8275 53.4069 42.7107 175.7136 92 A 4.5394 8.5813 128.6432 51.5632 19.1767 177.0308 93 S 4.4781 8.6323 114.7812 59.4476 63.7174 173.4149 94 S 4.5575 8.6968 113.9079 57.7629 66.3562 174.5279 95 K 4.9676 8.2000 122.9816 55.9736 33.7933 174.9432 96 Y 4.4422 9.0653 122.4843 57.1499 43.5641 175.3154 *98 V 3.6451 8.4174 124.7606 63.7784 32.8987 175.1596 99 F 5.0837 9.2613 126.5163 55.8306 42.2207 174.3530 100 E 5.1238 8.7586 119.1424 54.5913 32.1443 175.2439 101 A 4.7134 9.0754 126.6455 50.2035 21.4208 174.9585 102 Q 4.8411 9.4862 124.1184 54.1780 31.1621 174.7486 103 G 3.9680 8.6601 112.3355 42.4526 0.0000 172.7390 104 A 4.2930 8.4180 122.8185 52.0289 18.8845 177.1622 105 V 4.2437 8.2718 123.3230 61.6561 32.5677 174.9723 106 P 4.5385 0.0000 0.0000 63.8481 31.6221 178.1434 107 K 4.0258 8.3804 120.4364 59.6353 32.1795 178.5106 108 A 3.9741 8.2916 122.2939 54.6079 18.0028 179.8444 109 V 3.6255 7.6801 115.5016 66.1741 32.0308 177.8167 110 Q 4.1881 8.3512 118.0356 59.1425 28.4102 178.9208 111 Q 4.1501 8.3646 119.2569 58.4585 28.8599 179.3099 112 K 4.3905 8.0600 120.9275 56.3495 32.3062 178.3351 *114 E 4.2971 8.2069 119.7479 55.8792 31.5753 177.3614 115 E 3.9963 7.9346 118.2518 59.1960 29.3099 179.4686 116 V 3.1071 8.0668 118.5788 66.2420 31.5489 177.6394 117 H 4.1292 7.9943 115.3734 59.3402 28.5321 177.1045 118 H 4.2430 8.3065 119.8908 59.2166 29.6039 176.6910 119 Y 4.0681 8.3901 121.7598 60.8997 38.6459 178.1784 120 I 3.5508 8.1004 121.0073 64.4905 36.9411 177.8862 121 H 4.0795 8.1112 118.1840 59.4223 29.7862 176.9536 122 Q 3.9804 7.8519 118.3163 57.7535 28.7647 176.9053 123 Y 4.4451 7.9544 116.2359 58.0453 39.9426 176.1873 124 Q 4.5597 8.0703 118.0127 55.2894 30.2292 177.2495 125 A 3.9502 8.2549 123.9249 55.2286 18.5043 179.6292 126 N 4.7544 8.0313 110.1930 53.5603 37.9042 175.1898 127 T 4.5629 7.6348 108.0745 61.4474 70.3609 173.8490 128 V 3.9076 7.5412 122.5861 63.3901 31.9340 175.0544 129 K 4.4871 8.2704 128.8899 54.9416 33.9585 176.8642 130 S 4.4255 8.7333 123.1700 57.6989 61.4629 172.8379 131 A 4.6238 7.8171 126.5078 50.1110 22.0509 174.0409 132 P 4.9701 0.0000 0.0000 62.9344 32.0453 176.4439 133 F 5.6483 8.8319 117.5978 55.5324 41.7214 173.5809 134 F 5.4341 8.8931 113.9350 56.2107 41.8406 172.3683 135 E 5.1938 9.3774 119.0311 54.6158 32.1386 174.8766 136 L 5.0530 9.0198 126.4011 53.6241 44.8449 174.5749 137 Y 4.9312 9.5688 125.2616 55.2569 39.2929 175.5406 138 Q 4.7601 8.7521 122.4597 55.6345 29.8676 176.0480 139 D 4.4722 8.8474 120.0697 54.3683 41.3232 176.6279 140 G 4.3522 8.3957 109.2713 43.1583 0.0000 172.0037 141 D 4.4277 8.3096 120.0851 53.7732 40.6300 176.5620 142 T 2.8641 8.0804 117.3961 62.6786 69.1797 175.9424 143 T 4.0932 7.9532 111.9900 62.3406 69.6487 175.2803 144 S 4.2956 7.5657 118.4510 58.2622 62.6579 174.5681 145 E 4.1769 8.8238 125.1627 58.0878 29.5193 177.8803 146 K 4.5323 7.5270 117.0621 56.6234 33.2477 176.3848 147 Y 4.1912 7.9478 124.1926 58.1149 39.9916 174.5460 148 I 4.8617 7.3017 126.1985 59.7907 39.7713 174.7957 149 T 4.4898 8.7501 124.0338 61.8590 71.0130 173.4888 150 E 4.9574 8.6455 125.3901 55.2949 31.9376 175.1544 151 I 4.9505 8.9207 124.7561 59.6528 39.7743 175.3032 152 W 4.6440 9.2421 127.6108 54.1906 32.2350 173.3287 *154 P 4.2450 0.0000 0.0000 62.9181 32.1764 175.9115 155 V 4.9012 8.1551 114.2725 59.2724 35.3651 175.7248 156 K 4.0825 8.9288 123.0360 56.4086 32.8734 177.7595 157 G 3.4276 8.8055 111.0850 45.2603 0.0000 173.3692 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 0 G 8.35 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 E 7.70 3.84 0.00 1.90 1.76 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 2.08 2.22 0.00 3 Y 6.99 4.56 0.00 2.08 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 0.00 0.00 0.00 4 Q 8.42 4.53 0.00 1.66 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.73 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 5 L 8.41 4.70 0.00 1.69 1.57 1.01 0.71 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 6 Q 9.16 4.71 0.00 1.89 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 7 Q 8.89 5.21 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 8 L 9.32 4.98 0.00 1.91 1.65 0.61 0.82 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 9 A 8.57 4.71 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.61 4.43 0.00 3.91 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 11 L 8.93 4.89 0.00 1.49 1.38 0.77 0.58 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 12 T 8.34 4.79 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 1.20 0.00 0.00 13 L 8.95 5.26 0.00 1.40 1.35 0.66 0.30 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 14 V 8.56 4.60 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 0.61 0.00 0.00 0.85 0.00 0.00 15 G 8.07 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 0.00 0.00 0.00 16 I 8.57 4.97 2.05 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 1.22 1.07 0.86 0.00 0.00 17 K 9.71 4.98 0.00 1.68 1.67 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.38 7.81 18 E 9.79 4.77 0.00 2.12 1.43 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 2.01 2.02 0.00 19 T 8.08 4.67 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 20 Y 7.96 4.98 0.00 3.07 2.96 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 21 E 9.40 4.22 0.00 2.27 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 0.00 2.37 2.29 0.00 22 N 7.15 5.21 0.00 2.96 2.93 0.00 0.00 6.81 6.80 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 23 G 8.61 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 24 R 7.99 3.87 0.00 1.91 2.15 0.00 3.20 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 25 Q 8.71 4.16 0.00 2.16 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 26 A 8.16 3.01 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 27 Q 8.18 3.84 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 28 Q 8.03 4.13 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.52 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 29 H 7.60 4.69 0.00 2.64 3.31 0.00 5.83 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 30 I 7.08 3.36 1.70 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.53 0.86 0.00 0.00 31 A 8.12 4.22 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.15 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 33 F 8.51 4.14 0.00 3.34 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 34 W 8.58 4.23 0.00 3.69 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.50 4.19 0.00 2.33 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 36 R 8.69 4.01 0.00 2.01 2.14 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 37 C 8.45 4.17 0.00 3.06 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 38 Y 8.55 3.99 0.00 3.23 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 39 Q 8.44 4.12 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 40 E 8.32 4.34 0.00 2.01 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 2.33 2.42 0.00 41 G 8.16 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.97 3.67 2.21 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 1.12 0.00 0.00 0.99 0.00 0.00 43 I 7.55 3.50 1.48 0.00 0.00 0.55 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 -0.36 0.74 0.00 0.00 44 A 7.90 4.18 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.05 4.35 0.00 2.98 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 46 L 8.18 3.81 0.00 1.53 1.55 0.68 -0.03 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 47 Q 7.83 4.00 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 48 L 7.40 4.15 0.00 1.78 1.74 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.69 4.26 0.00 1.78 1.80 0.00 1.85 0.00 0.00 1.67 0.00 0.00 3.16 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.59 7.81 50 N 7.48 4.49 0.00 2.79 2.81 0.00 0.00 7.14 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.60 4.56 0.00 2.86 2.87 0.00 0.00 7.17 6.80 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 52 G 8.89 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 0.00 0.00 0.00 53 D 8.44 4.48 0.00 2.60 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 54 L 7.59 4.61 0.00 1.41 1.36 0.31 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.68 4.30 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.33 4.31 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 0.00 57 I 8.03 4.45 2.17 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 1.25 0.65 1.04 0.00 0.00 58 L 9.37 5.10 0.00 1.44 1.31 0.70 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 59 G 9.45 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 60 L 7.49 5.04 0.00 1.49 1.18 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 61 C 8.57 4.90 0.00 1.23 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 0.00 0.00 0.00 0.00 62 I 8.61 4.56 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.96 0.00 0.00 63 P 0.00 4.44 0.00 2.14 2.11 0.00 3.74 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 64 E 8.47 4.81 0.00 2.07 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 2.49 2.41 0.00 65 L 8.19 4.11 0.00 1.72 1.61 0.93 1.02 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 66 D 9.40 4.40 0.00 2.85 2.78 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 67 G 8.33 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 0.00 0.00 0.00 68 K 7.43 4.91 0.00 2.01 1.94 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.40 7.81 *70 S 8.31 4.81 0.00 3.88 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 71 Y 8.95 5.63 0.00 3.15 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 *73 I 8.09 3.75 1.54 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 -0.36 0.22 0.00 0.00 74 A 8.49 4.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.25 4.62 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 1.04 0.00 0.00 0.84 0.00 0.00 76 T 8.41 4.33 4.14 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 1.05 0.00 0.00 77 G 8.39 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 *83 I 8.72 4.28 1.91 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 1.39 0.64 0.93 0.00 0.00 84 A 8.16 4.12 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 85 K 7.76 4.20 0.00 1.61 1.73 0.00 1.28 0.00 0.00 1.50 0.00 0.00 2.54 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.86 0.49 7.81 86 Y 7.20 4.90 0.00 2.97 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.81 4.65 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.34 4.97 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 0.87 0.00 0.00 0.98 0.00 0.00 89 I 8.76 4.74 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.07 0.88 0.00 0.00 90 T 8.35 4.84 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 1.21 0.00 0.00 91 L 9.09 4.44 0.00 1.62 1.51 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.58 4.54 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.63 4.48 0.00 4.04 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 94 S 8.70 4.56 0.00 3.84 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.20 4.97 0.00 1.71 1.71 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.54 7.81 96 Y 9.07 4.44 0.00 2.83 2.61 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 *98 V 8.42 3.65 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.82 0.00 0.00 99 F 9.26 5.08 0.00 2.92 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 0.00 100 E 8.76 5.12 0.00 1.77 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 2.12 2.18 0.00 101 A 9.08 4.71 1.30 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 0.00 0.00 0.00 102 Q 9.49 4.84 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 103 G 8.66 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 0.00 0.00 0.00 104 A 8.42 4.29 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 0.00 105 V 8.27 4.24 1.89 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 0.68 0.00 0.00 1.06 0.00 0.00 106 P 0.00 4.54 0.00 2.27 2.16 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 107 K 8.38 4.03 0.00 2.04 2.13 0.00 1.56 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.68 7.81 108 A 8.29 3.97 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.68 3.63 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 1.11 0.00 0.00 1.09 0.00 0.00 110 Q 8.35 4.19 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 111 Q 8.36 4.15 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.14 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 112 K 8.06 4.39 0.00 1.98 1.76 0.00 1.66 0.00 0.00 1.55 0.00 0.00 3.14 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.41 7.81 *114 E 8.21 4.30 0.00 2.08 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 0.00 2.27 2.35 0.00 115 E 7.93 4.00 0.00 2.10 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 2.33 2.44 0.00 116 V 8.07 3.11 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 0.31 0.00 0.00 0.11 0.00 0.00 117 H 7.99 4.13 0.00 3.19 3.26 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 H 8.31 4.24 0.00 3.37 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 8.39 4.07 0.00 3.03 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 0.00 120 I 8.10 3.55 1.87 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 1.57 0.67 0.90 0.00 0.00 121 H 8.11 4.08 0.00 3.08 3.53 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 7.85 3.98 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 123 Y 7.95 4.45 0.00 2.00 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 0.00 124 Q 8.07 4.56 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.79 0.00 0.00 0.00 0.00 0.00 2.05 2.44 0.00 125 A 8.25 3.95 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 0.00 126 N 8.03 4.75 0.00 2.80 2.90 0.00 0.00 5.81 7.71 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 0.00 127 T 7.63 4.56 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 1.20 0.00 0.00 128 V 7.54 3.91 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 0.69 0.00 0.00 0.96 0.00 0.00 129 K 8.27 4.49 0.00 1.75 1.75 0.00 1.94 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.38 7.81 130 S 8.73 4.43 0.00 3.93 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 0.00 131 A 7.82 4.62 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.97 0.00 2.11 2.05 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 133 F 8.83 5.65 0.00 3.34 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.89 5.43 0.00 3.11 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 0.00 135 E 9.38 5.19 0.00 2.21 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 136 L 9.02 5.05 0.00 1.88 1.70 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 9.57 4.93 0.00 3.07 3.09 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 0.00 138 Q 8.75 4.76 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.92 0.00 0.00 0.00 0.00 0.00 2.15 2.45 0.00 139 D 8.85 4.47 0.00 2.75 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 G 8.40 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 0.00 141 D 8.31 4.43 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 T 8.08 2.86 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 0.61 0.00 0.00 143 T 7.95 4.09 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 1.10 0.00 0.00 144 S 7.57 4.30 0.00 3.89 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 0.00 145 E 8.82 4.18 0.00 2.09 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 2.41 2.31 0.00 146 K 7.53 4.53 0.00 1.73 1.93 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.42 7.81 147 Y 7.95 4.19 0.00 3.25 3.09 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 0.00 148 I 7.30 4.86 1.63 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.85 0.80 0.00 0.00 149 T 8.75 4.49 4.25 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 0.71 0.00 0.00 150 E 8.65 4.96 0.00 2.20 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 2.24 2.29 0.00 151 I 8.92 4.95 1.99 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 1.30 0.95 1.00 0.00 0.00 152 W 9.24 4.64 0.00 1.78 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 0.00 0.00 0.00 0.00 *154 P 0.00 4.24 0.00 2.00 1.96 0.00 3.76 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.38 0.00 155 V 8.16 4.90 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 0.67 0.00 0.00 0.90 0.00 0.00 156 K 8.93 4.08 0.00 1.57 1.72 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.52 7.81 157 G 8.81 3.43 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.