NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6091 8.3133 118.0214 57.0845 42.7427 170.7925 2 E 4.8067 8.5168 119.3627 55.4000 33.2503 170.7329 3 E 4.0191 9.7598 118.7605 56.3687 30.4372 175.7530 4 P 3.8122 0.0000 0.0000 61.2135 32.0178 174.5178 5 P 4.2485 0.0000 0.0000 63.2193 31.7768 176.1398 6 T 4.6489 7.8132 110.5076 60.2396 70.7892 173.4330 7 F 4.6991 8.1211 120.0877 55.7941 43.3667 174.8366 8 E 4.0357 9.0144 121.6717 59.2732 29.9381 177.3694 9 A 3.0268 8.0105 120.2251 53.6877 19.4358 177.2070 10 M 5.1957 7.6923 110.5219 53.4518 34.3911 174.6202 11 E 4.9741 8.9337 117.8269 54.1430 33.6491 174.4973 12 L 4.1606 8.5794 121.0971 55.0001 43.1633 176.1162 13 I 4.1389 7.9159 125.6750 62.3767 38.0772 176.1655 14 G 3.8292 9.0487 115.1952 44.6697 0.0000 172.9842 15 K 3.8864 8.2510 120.0836 53.9932 31.7326 173.7334 16 P 4.5782 0.0000 0.0000 61.2337 31.1567 176.6120 17 K 4.1273 8.4621 123.8838 55.4517 32.4778 176.2855 18 P 4.4273 0.0000 0.0000 65.0812 31.6588 176.2560 19 Y 4.9692 7.3795 118.4779 55.7339 41.3604 173.7014 20 Y 4.4609 8.1390 124.3338 56.1659 39.9110 175.4593 21 E 4.0651 8.9156 124.3966 56.1730 31.3066 175.5499 22 I 3.8829 7.6812 122.5989 62.9541 36.9714 176.3927 23 G 4.0201 8.2583 113.7440 44.6903 0.0000 172.6998 24 E 4.2385 7.9685 121.2786 56.0733 30.9782 175.1555 25 R 5.0358 8.5563 125.5757 54.7620 32.6392 175.2318 26 V 4.2958 8.5427 123.9518 61.1710 34.9931 173.8430 27 D 5.2137 8.3736 126.2312 52.7511 43.9373 174.6574 28 Y 5.2192 8.1843 118.1850 56.0428 41.2865 175.1925 29 K 4.7113 8.6404 119.6997 54.9724 36.3462 175.0690 30 C 4.7525 8.7558 118.9402 57.0426 41.6706 173.8266 31 K 4.4094 9.3358 122.5450 55.4337 33.4840 176.5321 32 K 3.9612 8.6149 122.8650 58.4917 32.5282 176.3602 33 G 3.8826 9.1819 114.2027 45.0908 0.0000 172.2735 34 Y 5.5595 8.1399 116.4090 56.2205 40.8696 175.2268 35 F 5.2546 9.3154 115.5650 55.3999 41.8426 173.0425 36 Y 4.9469 8.8135 121.2866 56.9903 39.9832 174.6006 37 I 4.2753 7.5807 125.8921 58.5157 40.3878 173.8889 38 P 4.2153 0.0000 0.0000 62.3936 31.7453 173.9338 39 P 4.9123 0.0000 0.0000 62.4106 31.4765 175.2374 40 L 4.0906 7.8124 117.8534 55.2508 42.1020 176.8052 41 A 4.2397 8.2639 123.2965 52.5841 19.0092 177.5891 42 T 4.5760 8.4291 109.4007 61.3326 71.2241 172.9409 43 H 5.5038 7.9464 116.9688 54.5559 31.7256 172.9103 44 T 4.8368 8.5202 111.2682 61.2471 71.1543 172.1630 45 I 5.4105 8.4455 124.9391 59.6206 42.4894 175.1622 46 C 4.3871 8.5511 124.8190 55.4596 42.4800 173.3073 47 D 4.9194 8.4549 129.2702 53.0187 39.9956 178.0007 48 R 4.0721 8.4885 117.1851 59.0736 30.0344 175.5726 49 N 4.9948 7.3738 120.6910 54.5668 38.2911 175.2802 50 H 4.7430 9.1420 108.6558 55.9136 30.0739 172.6308 51 T 4.5572 7.7218 114.5373 61.3159 72.0893 173.4398 52 W 5.0215 8.3015 121.8919 55.6652 30.5357 176.5892 53 L 4.3780 8.5795 122.7454 54.0343 42.0225 175.3012 54 P 4.6337 0.0000 0.0000 63.0353 32.0667 176.7975 55 V 4.1420 7.6262 117.6463 61.3807 33.1094 171.5106 56 S 4.8821 8.3621 116.9053 56.6801 66.2135 172.5522 57 D 4.4506 8.1621 117.9936 53.5349 39.6737 178.4847 58 D 4.1135 7.8755 121.7215 57.8394 41.2493 177.6884 59 A 3.9498 7.7729 120.4148 53.9224 19.5287 177.5752 60 C 5.1349 7.3486 112.9251 55.5458 42.7270 173.3654 61 Y 4.9372 8.5104 121.2255 56.0237 40.8495 175.5733 62 R 4.3476 8.7175 119.8647 55.9136 31.4206 176.5094 63 E 4.3905 9.2946 122.0162 56.9048 30.4800 176.2773 64 T 5.1135 8.4361 114.1684 60.6244 70.9093 175.0980 65 C 4.7012 8.9158 121.3842 55.4066 41.3984 172.0908 66 P 4.6922 0.0000 0.0000 62.4878 31.6472 176.1322 67 Y 4.8419 8.7523 121.8050 58.0530 39.3087 175.6468 68 I 4.1215 7.4796 126.4251 59.0660 39.1262 176.0107 69 R 3.8360 7.8653 124.7084 55.4005 30.6383 176.5951 70 D 4.4409 8.5761 120.9578 54.0774 41.4257 175.1473 71 P 4.2745 0.0000 0.0000 62.1915 32.0244 175.5475 72 L 3.9752 8.2783 122.9307 56.8116 42.1138 176.4220 73 N 4.0050 8.9530 120.6625 53.8293 36.6346 173.2179 74 G 4.3635 7.7154 107.0234 45.9689 0.0000 172.6219 75 Q 4.6094 8.1877 117.5771 55.4743 33.4851 173.9099 76 A 4.5451 9.0354 129.3045 50.4336 20.2981 175.3981 77 V 4.3334 7.8383 115.2192 59.4927 34.3158 174.1886 78 P 4.5295 0.0000 0.0000 62.9271 31.2085 176.3255 79 A 4.2613 8.6823 128.0082 54.5435 19.1840 178.2538 80 N 4.5021 8.2787 111.5372 53.6943 39.4224 175.0976 81 G 3.7870 8.4600 107.2197 47.9464 0.0000 174.7053 82 T 4.3700 7.8418 110.0861 60.8185 71.8582 177.4520 83 Y 3.8619 8.4101 118.4286 58.3207 36.7714 169.5340 84 E 4.5438 7.9598 118.9124 55.6511 30.2247 176.2524 85 F 4.2695 8.2029 117.3903 58.2560 38.3932 174.3460 86 G 3.7304 8.6789 114.9370 45.9033 0.0000 173.8857 87 Y 4.9026 7.4213 116.6109 56.4141 40.8652 174.9112 88 Q 5.3438 8.7229 118.5001 54.7582 33.0150 173.2795 89 M 4.9273 9.1878 120.3416 54.7106 35.2995 174.4560 *90 H 5.3940 8.9117 124.4931 53.4890 31.1697 170.7969 91 F 5.2334 9.0849 122.6147 55.9676 41.3441 175.5414 92 I 4.7150 8.6611 122.7087 58.8944 39.3375 170.6714 93 C 4.8885 8.7353 123.5652 54.5642 40.5892 174.0487 94 N 4.4538 8.3269 122.6032 53.5726 38.8393 174.4838 95 E 4.2048 8.6132 115.2077 57.5712 30.1515 173.0712 96 G 3.9522 9.1737 110.8990 45.2834 0.0000 172.4183 97 Y 5.2830 7.7363 114.7097 56.2544 42.2289 174.3643 98 Y 5.0023 8.9901 118.8564 55.2181 41.7726 174.2929 99 L 4.7462 8.6868 123.4618 54.6574 43.6125 175.7896 100 I 4.1911 8.4021 118.2098 60.6117 40.0191 173.1016 101 G 3.6332 8.8230 116.7031 45.9600 0.0000 167.6551 102 E 3.5498 8.1833 126.1620 56.4104 25.9034 174.5491 103 E 4.3951 8.2417 119.2209 56.9846 31.1376 176.2281 104 I 5.2194 7.3958 120.6710 59.8405 41.2791 174.5583 105 L 4.6802 8.8086 125.6840 53.1024 45.0959 175.3659 106 Y 5.0797 8.7216 121.1248 57.7445 40.1225 174.2548 107 C 4.3698 8.8376 124.3126 55.3736 44.4824 172.3171 108 E 4.8116 8.7105 123.9469 54.6229 31.8960 174.6352 109 L 4.5024 8.2508 123.9437 53.6616 43.1440 176.1049 110 K 4.3628 8.7418 127.2229 55.5933 34.3517 177.9415 111 G 3.9204 8.6100 117.8067 46.6652 0.0000 173.8106 112 S 4.5445 9.0287 119.5651 57.6961 64.3545 173.5067 113 V 4.2211 7.3367 120.9419 60.6724 33.3670 173.6868 114 A 5.0364 8.4775 128.2703 50.6079 20.3055 176.1652 115 I 4.5583 8.3726 115.3340 58.7460 42.1636 174.2771 116 W 5.2198 8.4955 122.0165 55.5084 30.7157 176.9113 117 S 4.6221 9.3938 119.4185 57.3837 62.7995 174.2492 118 G 4.1314 7.3191 108.8899 47.1041 0.0000 172.6118 119 K 4.3391 8.1038 121.5073 54.2456 33.0423 174.6472 120 P 3.6758 0.0000 0.0000 62.5133 31.6805 174.2646 121 P 4.3746 0.0000 0.0000 62.3093 32.7879 175.1947 122 I 4.3593 7.8176 120.8945 59.9460 40.0249 174.8471 123 C 5.0433 8.5385 122.7702 55.5616 41.4875 172.9742 124 E 4.6237 8.9810 128.3960 55.2542 31.1828 177.4345 125 K 3.5118 8.7806 123.9494 53.9647 32.3929 178.2990 126 V 3.7476 8.0796 122.7921 64.4021 32.3421 171.6200 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 C 8.31 4.61 0.00 2.31 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 2 E 8.52 4.81 0.00 2.13 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 0.00 2.36 2.51 0.00 3 E 9.76 4.02 0.00 2.06 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 2.40 2.58 0.00 4 P 0.00 3.81 0.00 1.67 0.76 0.00 3.72 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 5 P 0.00 4.25 0.00 1.92 1.73 0.00 3.38 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 6 T 7.81 4.65 4.21 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 1.22 0.00 0.00 7 F 8.12 4.70 0.00 2.91 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 8 E 9.01 4.04 0.00 1.91 1.91 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 2.21 2.32 0.00 9 A 8.01 3.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 M 7.69 5.20 0.00 1.77 2.01 0.00 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 11 E 8.93 4.97 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 12 L 8.58 4.16 0.00 1.61 1.57 0.45 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.92 4.14 1.76 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 1.10 0.72 0.86 0.00 0.00 14 G 9.05 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 15 K 8.25 3.89 0.00 1.79 1.64 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.04 7.81 16 P 0.00 4.58 0.00 2.09 2.13 0.00 3.67 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 2.05 2.13 0.00 17 K 8.46 4.13 0.00 0.79 1.31 0.00 1.19 0.00 0.00 1.46 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.23 7.81 18 P 0.00 4.43 0.00 2.08 2.14 0.00 3.58 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 19 Y 7.38 4.97 0.00 2.90 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 20 Y 8.14 4.46 0.00 2.76 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 21 E 8.92 4.07 0.00 2.12 1.91 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 2.34 2.43 0.00 22 I 7.68 3.88 1.84 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.70 0.88 0.00 0.00 23 G 8.26 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 24 E 7.97 4.24 0.00 2.26 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 2.50 2.37 0.00 25 R 8.56 5.04 0.00 1.84 1.77 0.00 3.16 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 26 V 8.54 4.30 1.39 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 0.11 0.00 0.00 0.28 0.00 0.00 27 D 8.37 5.21 0.00 2.55 2.40 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 28 Y 8.18 5.22 0.00 2.72 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 29 K 8.64 4.71 0.00 1.77 1.82 0.00 1.32 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.40 7.81 30 C 8.76 4.75 0.00 3.00 3.21 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 31 K 9.34 4.41 0.00 1.86 1.84 0.00 1.90 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.67 1.37 7.81 32 K 8.61 3.96 0.00 1.74 1.77 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.45 7.81 33 G 9.18 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 34 Y 8.14 5.56 0.00 2.99 3.05 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 35 F 9.32 5.25 0.00 3.28 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 36 Y 8.81 4.95 0.00 2.94 2.93 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 37 I 7.58 4.28 2.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.30 0.76 0.00 0.00 38 P 0.00 4.22 0.00 1.98 2.02 0.00 3.47 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 39 P 0.00 4.91 0.00 2.14 2.10 0.00 3.50 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.05 0.00 40 L 7.81 4.09 0.00 1.62 1.62 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.26 4.24 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.43 4.58 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 1.01 0.00 0.00 43 H 7.95 5.50 0.00 3.26 3.41 0.00 5.54 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.52 4.84 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 0.87 0.00 0.00 45 I 8.45 5.41 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.72 1.03 0.00 0.00 46 C 8.55 4.39 0.00 2.15 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 47 D 8.45 4.92 0.00 2.89 2.80 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 48 R 8.49 4.07 0.00 1.85 1.92 0.00 3.26 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.21 0.00 49 N 7.37 4.99 0.00 2.76 2.75 0.00 0.00 6.95 7.77 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 50 H 9.14 4.74 0.00 3.00 3.18 0.00 5.84 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.72 4.56 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 1.26 0.00 0.00 52 W 8.30 5.02 0.00 3.19 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.58 4.38 0.00 1.67 1.69 1.00 1.09 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 54 P 0.00 4.63 0.00 1.95 2.01 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 55 V 7.63 4.14 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 0.70 0.00 0.00 56 S 8.36 4.88 0.00 4.01 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 57 D 8.16 4.45 0.00 2.62 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 58 D 7.88 4.11 0.00 2.53 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 59 A 7.77 3.95 1.39 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 60 C 7.35 5.13 0.00 2.76 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.51 4.94 0.00 2.59 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 62 R 8.72 4.35 0.00 1.79 1.39 0.00 3.02 0.00 0.00 2.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.72 0.00 63 E 9.29 4.39 0.00 2.05 1.91 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 2.50 2.48 0.00 64 T 8.44 5.11 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 1.38 0.00 0.00 65 C 8.92 4.70 0.00 2.00 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 0.00 0.00 0.00 66 P 0.00 4.69 0.00 2.30 2.14 0.00 3.69 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 67 Y 8.75 4.84 0.00 2.94 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 68 I 7.48 4.12 1.57 0.00 0.00 -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 1.08 0.86 0.74 0.00 0.00 69 R 7.87 3.84 0.00 1.71 1.84 0.00 3.32 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.54 0.00 70 D 8.58 4.44 0.00 2.63 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 71 P 0.00 4.27 0.00 2.12 2.04 0.00 3.77 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 2.24 2.16 0.00 72 L 8.28 3.98 0.00 1.52 1.51 0.86 0.96 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 73 N 8.95 4.00 0.00 2.42 1.42 0.00 0.00 6.76 7.87 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 74 G 7.72 4.36 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 0.00 75 Q 8.19 4.61 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.14 2.35 0.00 76 A 9.04 4.55 0.94 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 77 V 7.84 4.33 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 0.70 0.00 0.00 0.90 0.00 0.00 78 P 0.00 4.53 0.00 2.06 2.22 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.49 0.00 79 A 8.68 4.26 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 80 N 8.28 4.50 0.00 2.91 2.90 0.00 0.00 6.96 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 81 G 8.46 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.84 4.37 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 83 Y 8.41 3.86 0.00 3.28 3.30 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 84 E 7.96 4.54 0.00 2.14 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 85 F 8.20 4.27 0.00 3.01 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 86 G 8.68 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.42 4.90 0.00 2.99 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 88 Q 8.72 5.34 0.00 2.60 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 89 M 9.19 4.93 0.00 1.54 1.45 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 *90 H 8.91 5.39 0.00 2.60 2.89 0.00 7.19 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 9.08 5.23 0.00 2.77 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 92 I 8.66 4.71 1.87 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 1.23 0.87 0.91 0.00 0.00 93 C 8.74 4.89 0.00 2.91 3.12 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 0.00 94 N 8.33 4.45 0.00 2.76 2.82 0.00 0.00 6.92 7.33 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 95 E 8.61 4.20 0.00 1.99 1.74 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 2.23 1.88 0.00 96 G 9.17 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 97 Y 7.74 5.28 0.00 2.98 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 98 Y 8.99 5.00 0.00 2.98 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 99 L 8.69 4.75 0.00 1.68 1.61 0.89 0.93 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 0.00 100 I 8.40 4.19 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.52 0.74 0.00 0.00 101 G 8.82 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.18 3.55 0.00 2.06 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 2.19 2.20 0.00 103 E 8.24 4.40 0.00 2.28 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 0.00 2.37 2.37 0.00 104 I 7.40 5.22 1.86 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.70 0.75 0.00 0.00 105 L 8.81 4.68 0.00 1.49 1.59 0.72 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.72 5.08 0.00 3.05 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 0.00 107 C 8.84 4.37 0.00 1.69 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.71 4.81 0.00 2.01 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 2.28 2.35 0.00 109 L 8.25 4.50 0.00 0.93 1.24 0.53 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.74 4.36 0.00 1.74 1.67 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.46 7.81 111 G 8.61 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 0.00 112 S 9.03 4.54 0.00 3.81 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 0.00 113 V 7.34 4.22 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 0.92 0.00 0.00 0.89 0.00 0.00 114 A 8.48 5.04 1.17 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 0.00 0.00 115 I 8.37 4.56 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 1.17 0.71 0.87 0.00 0.00 116 W 8.50 5.22 0.00 3.35 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 0.00 117 S 9.39 4.62 0.00 3.97 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 0.00 118 G 7.32 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 8.10 4.34 0.00 1.68 1.63 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.39 7.81 120 P 0.00 3.68 0.00 1.87 1.78 0.00 3.61 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 121 P 0.00 4.37 0.00 1.55 1.93 0.00 2.20 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.73 0.00 122 I 7.82 4.36 1.72 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.20 0.80 0.00 0.00 123 C 8.54 5.04 0.00 2.92 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 0.00 124 E 8.98 4.62 0.00 1.50 1.12 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 2.21 2.34 0.00 125 K 8.78 3.51 0.00 1.82 1.69 0.00 2.00 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.34 0.99 7.81 126 V 8.08 3.75 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 0.78 0.00 0.00 1.06 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.