NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3961 8.2493 123.5807 51.8491 20.7947 177.5218 2 T 4.2278 7.7301 102.7794 61.6154 70.9588 172.8838 3 S 3.9691 8.0052 115.3273 59.1155 63.3586 175.0871 4 T 4.3840 8.4556 115.9221 62.0420 69.1888 175.2810 5 K 4.4247 7.7520 120.7012 57.2042 33.7353 177.3378 6 K 4.5025 7.3049 115.1715 56.4601 31.5638 178.9890 7 L 4.5786 8.3910 127.2057 54.3624 43.2807 174.9052 8 H 4.8988 8.2650 116.5038 53.9465 31.8273 173.6292 9 K 4.3745 8.6218 123.5461 55.6083 33.0316 176.0652 10 E 4.8070 8.3656 122.0515 53.4899 32.6925 174.1768 11 P 4.4697 0.0000 0.0000 62.9566 32.2384 175.4046 12 A 4.6658 8.0083 121.1441 51.2786 22.0018 175.2279 13 T 4.7494 7.9443 108.7456 59.1869 72.1482 173.7908 14 L 4.1571 8.1646 121.3384 54.5781 42.2080 177.2582 15 I 3.9840 8.0254 122.7511 60.4109 37.8129 176.4640 16 K 3.9721 8.4345 124.1898 56.3581 33.0897 176.7419 17 A 3.8721 7.9173 124.0579 51.9605 18.8352 177.5755 18 I 3.8687 7.8115 121.8354 61.0602 38.0616 176.2409 19 D 4.7778 8.5076 123.8351 53.8179 41.5089 177.8030 20 G 3.7083 8.7253 109.9153 48.2682 0.0000 174.2558 21 D 4.7702 8.1237 117.5625 53.2621 39.8968 175.0842 22 T 5.0398 7.7147 116.8251 62.3301 70.6381 174.5149 23 V 4.5103 8.8601 118.5390 59.6615 35.7884 174.4042 24 K 5.1614 8.8307 124.7536 55.0022 33.6599 175.7810 25 L 4.9367 9.0469 123.5610 53.2186 46.8796 174.9529 26 M 4.8158 8.6953 121.1600 55.1410 33.3053 175.0138 27 Y 4.7876 9.2134 127.3557 57.0895 41.8051 174.9688 28 K 3.6400 9.6991 127.5295 57.3953 29.7883 175.8213 29 G 4.0129 9.3364 103.9700 45.4143 0.0000 173.7036 30 Q 4.6356 8.0201 117.6058 52.9450 32.9560 172.4971 31 P 4.9728 0.0000 0.0000 63.4699 32.2576 175.2955 32 M 4.7567 9.2240 121.7626 54.4127 36.2640 173.4301 33 T 4.6932 8.3422 121.8754 62.5254 70.5713 173.5916 34 F 5.1773 9.4361 125.1730 55.6768 42.2335 174.4451 35 R 4.9527 8.8695 122.7221 54.1862 32.4122 175.0059 36 L 4.2894 8.6744 127.4423 54.6749 41.9235 177.2978 37 L 3.9111 8.5009 124.4156 55.6935 42.8643 178.0059 38 L 4.4942 8.8179 119.7450 55.3677 39.2131 173.9969 39 V 5.0837 7.2999 110.5644 59.9190 36.2362 175.1592 40 D 4.8477 8.9980 122.0944 53.4954 43.6569 174.6690 41 T 4.7435 9.1634 117.3539 60.2070 70.2318 173.0943 42 P 4.4597 0.0000 0.0000 62.5571 32.2282 176.0256 43 E 4.1200 8.5954 122.6184 56.5636 30.4808 177.1455 *50 F 4.4490 8.5632 125.1370 58.1505 41.0191 175.4577 51 N 4.6020 9.0161 115.4591 53.5225 38.9050 174.7071 52 E 4.4470 7.9538 119.3474 53.9573 31.4055 175.2787 53 K 3.7495 8.1693 121.2217 58.2588 32.5118 176.8130 54 Y 4.0981 7.6597 120.7090 58.8630 36.3644 171.2674 55 G 3.6585 7.9233 107.4255 47.7640 0.0000 173.9448 56 P 3.7296 0.0000 0.0000 64.5829 31.3174 178.6030 57 E 3.9910 8.0717 116.7092 59.3771 29.4683 179.0919 58 A 4.0258 8.2447 120.8870 55.2881 18.3969 179.6354 59 S 4.1543 8.3865 111.4870 61.5576 62.4533 176.2749 60 A 4.0493 8.6167 124.0170 54.9136 18.1230 179.3931 61 F 3.9314 8.5641 119.4176 61.4308 39.4590 177.3643 62 R 3.9329 8.2855 118.3399 59.3920 29.9506 178.3492 63 K 3.9317 8.3465 119.6691 59.2929 32.1591 178.7549 64 K 3.8838 8.1991 120.1153 59.5170 31.9180 178.5338 65 M 3.8175 7.5070 117.2867 58.6690 32.3339 178.0854 66 V 3.7316 8.0547 118.7064 65.7373 31.5803 177.4371 67 E 4.1676 8.5682 116.4738 57.7737 29.6956 176.9086 68 N 4.6330 7.6872 114.0774 53.0323 39.3583 175.3993 69 A 4.3246 7.2536 122.3692 51.9557 19.0073 178.0747 70 K 4.1417 9.1356 122.0613 58.7586 32.5338 178.0256 71 K 4.5803 8.6971 118.4156 54.8247 35.9258 175.6064 72 I 4.9544 8.5064 126.0049 59.7667 39.0722 175.0687 73 E 4.8958 9.2921 125.3514 54.6220 33.5177 175.1949 74 V 4.6603 8.3667 114.5798 59.6493 35.0883 175.3416 75 E 4.5413 8.6661 124.3253 54.8251 32.3070 174.6392 76 F 4.5401 8.8302 125.8503 57.5211 40.1885 175.6964 77 D 4.9641 8.4769 120.4615 53.4926 43.2532 175.6194 78 K 4.4114 8.7865 117.1896 57.6948 33.4788 178.4273 79 G 4.1463 7.8080 111.3237 44.4475 0.0000 174.7865 80 Q 3.9313 8.8252 126.0438 56.7470 29.3974 176.5504 81 R 4.3248 8.6458 124.8742 57.8130 30.8517 175.8441 82 T 5.1127 7.4457 105.7194 59.6936 71.9990 173.2590 83 D 4.7347 8.6961 123.6973 51.9030 41.3826 176.9894 84 K 3.9658 8.3213 117.0393 59.1277 32.5268 176.9450 85 Y 4.3481 8.1241 116.6875 57.6329 37.9945 176.4123 86 G 3.9109 8.1699 108.0750 45.5341 0.0000 173.9060 87 R 4.3724 7.9201 118.9626 55.1139 31.9715 176.0418 88 G 3.9162 8.7079 111.4490 46.2545 0.0000 172.4477 89 L 5.2841 9.1223 126.0732 53.5345 42.5085 175.8543 90 A 4.5143 8.3508 125.1220 50.4482 23.5585 173.9258 91 Y 4.8920 8.4841 117.2803 56.2198 39.8312 174.9671 92 I 4.8175 8.0259 124.1660 59.6266 40.2028 173.9893 93 Y 5.1382 9.2683 123.9286 56.0265 41.5266 174.6232 94 A 4.8465 9.1480 125.3971 50.1630 21.4993 176.0658 95 D 4.4503 10.0939 124.4789 56.0082 39.1176 175.6405 96 G 3.9668 8.5901 105.9762 45.1810 0.0000 173.9370 97 K 4.5207 7.8481 120.1546 55.0620 33.7313 175.4134 98 M 4.1945 8.4752 123.0041 54.8732 33.4996 177.2489 99 V 3.6318 8.9228 127.1562 66.0017 31.5751 177.6494 100 N 4.2813 8.0872 115.8555 56.5594 38.3846 176.6867 101 E 3.9861 8.1113 119.5223 59.2232 29.7961 178.4837 102 A 4.0551 8.1674 120.7614 55.1817 18.4238 179.4273 103 L 3.4778 8.2588 117.8145 57.9118 41.6161 180.1170 104 V 3.8623 7.4195 119.2927 65.5560 31.3169 177.9368 105 R 4.0577 8.0997 117.5819 59.2346 29.8439 177.3932 106 Q 4.3893 7.6644 115.3480 54.6675 29.0889 175.6949 107 G 3.8993 8.1596 108.6258 46.9281 0.0000 175.0532 108 L 4.5136 7.7513 117.4942 54.1063 42.5251 176.4965 109 A 4.6946 7.4389 119.6898 50.7909 22.6973 175.5280 110 K 4.7711 8.6086 119.5236 54.4315 35.2039 176.1929 111 V 4.2840 9.0550 123.5597 63.3435 32.2973 175.0306 112 A 4.1858 9.1371 127.7108 50.9444 23.3150 174.9461 113 Y 3.1648 7.3208 113.6179 58.9427 35.2389 172.5197 114 V 3.8950 7.0795 118.7773 61.6648 31.9172 173.9755 115 Y 4.9558 7.8941 125.0386 55.4137 40.5798 175.4218 116 K 4.2702 8.8460 125.7062 58.2417 32.4989 176.2618 117 G 4.2538 9.2000 114.9804 45.6542 0.0000 173.1724 118 N 5.3014 8.2364 117.2668 53.0877 39.7142 173.9826 119 N 5.2553 8.0650 111.4428 52.5458 38.3538 176.4292 120 T 3.8359 8.7853 118.5784 67.9939 68.9187 175.0284 121 H 4.8314 7.8810 116.6117 55.6748 29.2085 176.3684 122 E 3.9358 8.2699 122.4994 60.0219 29.3025 179.1000 123 Q 3.9703 8.0290 117.1990 58.5156 28.9399 178.1172 124 L 3.9303 7.9265 121.0555 58.4277 42.1173 179.0675 125 L 4.0672 7.8799 118.5594 57.7758 41.5721 179.7146 126 R 3.9301 8.3080 118.3564 58.9069 29.8518 178.9947 127 K 3.9060 8.2623 119.4963 59.3452 32.1847 178.7614 128 A 3.9787 7.9094 120.8066 55.1302 18.2840 179.2524 129 E 3.9135 8.4295 117.7171 59.2591 29.7047 178.8554 130 A 3.7867 8.0357 120.9114 55.1889 18.3191 179.7019 131 Q 3.9029 7.8991 116.0475 58.8993 28.7375 178.6430 132 A 3.9936 7.9498 121.9013 54.9988 18.3328 179.6870 133 K 3.3002 7.7336 118.1060 59.1251 31.9409 178.7997 134 K 3.7744 7.9977 119.1596 59.6252 32.1849 177.7781 135 E 4.2196 8.2795 115.2798 55.4973 29.9202 176.5067 136 K 4.0731 8.0054 117.9902 57.1805 30.7301 175.2100 137 L 4.3131 8.1946 117.9979 55.5724 44.2548 177.5996 138 N 3.7276 9.1018 120.3910 53.9706 37.8337 177.0486 139 I 2.9125 5.4200 128.3652 64.4451 37.2686 176.4478 140 W 4.8446 7.8579 118.1463 56.3803 29.2104 176.4312 141 S 4.4680 8.1070 119.9143 58.5054 62.6883 173.9445 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 A 8.25 4.40 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 2 T 7.73 4.23 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 3 S 8.01 3.97 0.00 3.84 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 4 T 8.46 4.38 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 1.23 0.00 0.00 5 K 7.75 4.42 0.00 1.76 1.89 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.41 7.81 6 K 7.30 4.50 0.00 1.67 0.86 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.40 7.81 7 L 8.39 4.58 0.00 1.57 1.55 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.26 4.90 0.00 3.07 3.18 0.00 5.89 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 9 K 8.62 4.37 0.00 1.75 1.74 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.45 7.81 10 E 8.37 4.81 0.00 1.91 1.82 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 2.20 2.26 0.00 11 P 0.00 4.47 0.00 2.17 2.05 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 12 A 8.01 4.67 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 13 T 7.94 4.75 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 14 L 8.16 4.16 0.00 1.63 1.61 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.03 3.98 1.83 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 1.45 0.44 0.87 0.00 0.00 16 K 8.43 3.97 0.00 1.82 1.78 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.38 7.81 17 A 7.92 3.87 0.27 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 18 I 7.81 3.87 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.82 0.91 0.00 0.00 19 D 8.51 4.78 0.00 2.74 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 0.00 0.00 0.00 0.00 20 G 8.73 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 0.00 0.00 0.00 21 D 8.12 4.77 0.00 2.93 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 22 T 7.71 5.04 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 1.26 0.00 0.00 23 V 8.86 4.51 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 0.71 0.00 0.00 0.94 0.00 0.00 24 K 8.83 5.16 0.00 1.66 1.77 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.47 7.81 25 L 9.05 4.94 0.00 1.83 1.61 0.64 0.55 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 26 M 8.70 4.82 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.63 0.00 27 Y 9.21 4.79 0.00 3.20 2.94 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 28 K 9.70 3.64 0.00 1.45 1.60 0.00 1.61 0.00 0.00 1.42 0.00 0.00 2.50 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.93 0.21 7.81 29 G 9.34 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 30 Q 8.02 4.64 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 31 P 0.00 4.97 0.00 2.10 2.09 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 32 M 9.22 4.76 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.70 0.00 33 T 8.34 4.69 4.17 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 1.20 0.00 0.00 34 F 9.44 5.18 0.00 2.97 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 35 R 8.87 4.95 0.00 1.85 1.76 0.00 3.34 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 36 L 8.67 4.29 0.00 1.57 1.76 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.50 3.91 0.00 0.86 1.29 0.27 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.82 4.49 0.00 2.00 1.86 1.13 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.30 5.08 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 0.80 0.00 0.00 0.97 0.00 0.00 40 D 9.00 4.85 0.00 2.83 2.48 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 0.00 0.00 0.00 0.00 41 T 9.16 4.74 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 1.29 0.00 0.00 42 P 0.00 4.46 0.00 2.03 2.02 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 43 E 8.60 4.12 0.00 2.04 1.83 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 2.72 2.29 0.00 *50 F 8.56 4.45 0.00 3.20 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 51 N 9.02 4.60 0.00 2.93 2.86 0.00 0.00 6.98 7.68 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 52 E 7.95 4.45 0.00 2.12 1.83 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 2.24 2.22 0.00 53 K 8.17 3.75 0.00 1.55 1.60 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.34 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.35 1.04 7.81 54 Y 7.66 4.10 0.00 3.14 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 55 G 7.92 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 56 P 0.00 3.73 0.00 1.92 1.69 0.00 3.32 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.21 0.00 57 E 8.07 3.99 0.00 2.27 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 0.00 2.47 2.48 0.00 58 A 8.24 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.39 4.15 0.00 4.17 4.37 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 60 A 8.62 4.05 1.44 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 0.00 0.00 61 F 8.56 3.93 0.00 3.21 3.26 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 62 R 8.29 3.93 0.00 2.04 2.12 0.00 3.34 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 63 K 8.35 3.93 0.00 1.94 2.02 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.44 1.79 7.81 64 K 8.20 3.88 0.00 1.87 1.73 0.00 1.65 0.00 0.00 1.47 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.38 7.81 65 M 7.51 3.82 0.00 2.01 1.72 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 66 V 8.05 3.73 2.15 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 0.96 0.00 0.00 0.94 0.00 0.00 67 E 8.57 4.17 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 68 N 7.69 4.63 0.00 2.77 2.82 0.00 0.00 6.92 8.07 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 69 A 7.25 4.32 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 70 K 9.14 4.14 0.00 1.93 1.88 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.55 7.81 71 K 8.70 4.58 0.00 1.65 1.66 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.40 7.81 72 I 8.51 4.95 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.55 0.88 0.00 0.00 73 E 9.29 4.90 0.00 1.95 1.83 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 2.22 2.26 0.00 74 V 8.37 4.66 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 -0.02 0.00 0.00 0.80 0.00 0.00 75 E 8.67 4.54 0.00 2.26 2.27 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 2.48 2.44 0.00 76 F 8.83 4.54 0.00 3.10 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 77 D 8.48 4.96 0.00 2.73 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 78 K 8.79 4.41 0.00 1.82 1.90 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.45 7.81 79 G 7.81 4.15 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 0.00 0.00 0.00 80 Q 8.83 3.93 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 81 R 8.65 4.32 0.00 1.72 1.77 0.00 2.82 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.60 0.00 82 T 7.45 5.11 4.26 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 1.16 0.00 0.00 83 D 8.70 4.73 0.00 2.91 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 84 K 8.32 3.97 0.00 1.59 1.76 0.00 0.93 0.00 0.00 1.40 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.90 0.21 7.81 85 Y 8.12 4.35 0.00 3.12 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 86 G 8.17 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 87 R 7.92 4.37 0.00 2.06 1.83 0.00 3.11 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 88 G 8.71 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 89 L 9.12 5.28 0.00 1.60 1.65 1.02 0.60 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 90 A 8.35 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.48 4.89 0.00 2.94 2.59 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 92 I 8.03 4.82 1.71 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.06 0.78 0.00 0.00 93 Y 9.27 5.14 0.00 2.86 2.81 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 0.00 0.00 0.00 94 A 9.15 4.85 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 95 D 10.09 4.45 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 96 G 8.59 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 97 K 7.85 4.52 0.00 1.84 1.77 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.53 7.81 98 M 8.48 4.19 0.00 1.95 1.76 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.21 0.00 99 V 8.92 3.63 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 1.12 0.00 0.00 0.91 0.00 0.00 100 N 8.09 4.28 0.00 2.85 2.93 0.00 0.00 6.75 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 0.00 101 E 8.11 3.99 0.00 1.99 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 2.37 0.00 102 A 8.17 4.06 1.65 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 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.26 3.48 0.00 1.82 1.66 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.42 3.86 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.97 0.00 0.00 105 R 8.10 4.06 0.00 1.87 2.10 0.00 3.34 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 106 Q 7.66 4.39 0.00 1.63 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.51 0.00 0.00 0.00 0.00 0.00 1.91 2.01 0.00 107 G 8.16 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 0.00 0.00 0.00 108 L 7.75 4.51 0.00 1.33 1.55 0.58 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.44 4.69 1.19 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 0.00 0.00 110 K 8.61 4.77 0.00 1.69 1.79 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.13 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.30 1.09 7.81 111 V 9.06 4.28 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 0.74 0.00 0.00 0.96 0.00 0.00 112 A 9.14 4.19 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 0.00 113 Y 7.32 3.16 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 0.00 114 V 7.08 3.90 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 0.87 0.00 0.00 0.92 0.00 0.00 115 Y 7.89 4.96 0.00 3.11 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 0.00 116 K 8.85 4.27 0.00 1.78 1.81 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.50 7.81 117 G 9.20 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 0.00 0.00 0.00 0.00 118 N 8.24 5.30 0.00 2.80 2.88 0.00 0.00 6.73 7.56 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 0.00 119 N 8.06 5.26 0.00 2.86 3.12 0.00 0.00 6.09 7.22 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 0.00 120 T 8.79 3.84 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 1.01 0.00 0.00 121 H 7.88 4.83 0.00 2.81 3.08 0.00 5.64 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 0.00 122 E 8.27 3.94 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 123 Q 8.03 3.97 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.65 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 124 L 7.93 3.93 0.00 1.74 1.83 0.90 0.65 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 0.00 125 L 7.88 4.07 0.00 1.95 1.72 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.31 3.93 0.00 1.83 1.95 0.00 3.11 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 127 K 8.26 3.91 0.00 1.85 1.96 0.00 1.49 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.48 7.81 128 A 7.91 3.98 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 0.00 129 E 8.43 3.91 0.00 2.08 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 0.00 2.10 2.53 0.00 130 A 8.04 3.79 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 0.00 131 Q 7.90 3.90 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.66 0.00 132 A 7.95 3.99 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.73 3.30 0.00 1.10 1.42 0.00 1.27 0.00 0.00 1.03 0.00 0.00 2.33 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.89 0.21 7.81 134 K 8.00 3.77 0.00 1.81 1.94 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.44 7.81 135 E 8.28 4.22 0.00 2.00 1.97 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 2.33 2.47 0.00 136 K 8.01 4.07 0.00 1.86 1.89 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.67 1.39 7.81 137 L 8.19 4.31 0.00 1.99 1.58 1.06 0.67 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 0.00 138 N 9.10 3.73 0.00 2.75 1.42 0.00 0.00 7.12 7.22 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 0.00 139 I 5.42 2.91 0.97 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.12 -0.15 0.00 0.00 140 W 7.86 4.84 0.00 3.25 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 S 8.11 4.47 0.00 4.00 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 * Residues marked with a * may have inaccurate shift predictions.