NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 3.5028 8.2549 119.5798 54.9172 31.3749 175.1936 7 P 4.5069 0.0000 0.0000 62.3701 32.9637 173.5784 8 L 6.1292 8.7438 120.7820 52.1574 45.6185 177.6424 9 R 3.5946 8.8576 121.6201 59.4940 29.9643 178.4861 10 E 4.0996 8.1689 113.3087 58.4760 29.4671 177.3680 11 Q 4.1015 8.1354 117.6746 56.8629 29.2048 175.2044 12 Y 4.7831 8.0960 115.5286 56.1680 40.6261 175.4183 13 L 4.5877 8.5266 121.3136 55.7126 43.4132 176.5526 14 H 5.1133 8.2842 118.1779 54.2436 32.8451 172.5137 15 F 5.1562 8.8611 123.0535 55.7382 42.3572 174.6192 16 Q 4.5524 8.5008 122.3678 53.8255 31.4972 172.5656 17 P 4.7399 0.0000 0.0000 62.8679 32.8070 175.8148 18 I 4.6706 8.8259 123.5119 59.5032 40.6474 175.1061 19 S 4.8071 8.7863 121.9386 58.0250 64.4427 173.9379 20 T 4.7758 7.9751 109.3057 61.2883 70.9787 173.7601 21 R 4.9320 9.8081 120.9306 53.7541 33.5368 176.6536 22 W 2.8216 8.4321 129.9505 60.8109 30.3976 177.3547 23 H 4.3237 8.0037 113.6216 56.9540 29.6019 175.4688 24 D 4.3620 8.0339 119.6309 57.9799 40.8969 176.8059 25 N 4.6657 7.4084 116.2824 53.1465 39.2701 174.8475 26 D 4.6646 8.6345 122.6599 51.9668 41.9855 176.6001 27 I 3.5252 7.9476 117.6404 64.1906 37.9655 176.7886 28 Y 4.6193 7.9196 115.9185 58.0098 37.9512 176.2904 29 G 3.8778 8.5598 109.0711 45.0552 0.0000 172.7525 30 H 5.1540 7.7932 115.6338 53.1242 33.0031 173.2773 31 V 4.0889 9.0119 121.4187 63.2032 31.7284 175.5420 32 N 4.5851 9.0604 127.2534 53.5097 39.8745 175.6792 33 N 4.3018 8.7810 121.6739 55.4944 38.1800 177.4937 34 V 3.8625 8.4931 119.3486 66.3083 31.5484 178.0292 35 T 3.6010 7.6106 115.4000 66.4784 68.1017 176.0298 36 Y 3.7011 7.5122 117.8788 61.1757 37.7553 178.2855 37 Y 3.5305 7.5058 116.8375 60.6392 37.8742 178.4297 38 A 3.9385 7.6160 121.4185 55.0916 18.4225 179.5121 39 F 4.5712 7.7667 116.3743 60.6636 38.8644 177.9185 40 F 4.5834 8.2653 117.4876 60.9940 38.7925 177.4089 41 D 4.3592 8.3627 118.4926 57.7553 40.5978 179.1676 42 T 3.9884 8.2739 116.0204 66.4079 68.2832 176.7393 43 A 4.0664 8.4772 123.0828 55.1937 18.4130 179.8522 44 V 3.5093 8.0700 116.7365 66.4236 31.7162 178.1258 45 N 4.4778 8.7639 116.5546 56.3821 38.3050 177.6560 46 T 3.9177 8.1423 117.4502 66.7695 68.6675 175.8741 47 Y 4.0612 7.8071 121.2577 60.8436 38.8260 178.2228 48 L 4.0037 8.3137 120.0095 57.7218 41.4895 179.3604 49 I 3.7620 7.7677 117.9080 64.0524 38.0507 177.4962 50 E 4.2041 8.1718 118.0348 58.2740 29.4756 177.6938 51 R 4.4381 7.4469 113.4749 55.4558 32.9230 175.8185 52 G 3.6121 8.4168 108.0625 45.3638 0.0000 174.1982 53 G 3.8727 7.9918 106.0577 44.3930 0.0000 174.4368 54 L 4.1275 8.4274 119.7516 57.8172 41.6969 178.6055 55 D 4.3622 8.0934 118.6458 57.4436 40.8822 178.6981 56 I 3.9185 7.6150 119.3876 64.7350 37.0634 178.3888 57 Q 4.1517 8.4898 117.8486 58.3784 28.6317 178.3901 58 G 3.9559 8.3625 104.4039 44.4159 0.0000 174.6225 59 G 4.0141 8.0367 111.4392 45.5487 0.0000 175.1221 60 E 4.1892 8.2369 118.0162 58.5578 30.9942 182.1689 61 V 4.9945 7.5528 119.2470 60.9505 33.6706 175.2626 62 I 4.8138 8.9807 120.5763 59.1183 41.2970 174.1681 63 G 4.1078 8.7010 109.7462 44.4630 0.0000 172.8651 64 L 4.9785 8.6253 123.4783 52.5220 45.4513 175.8288 65 V 5.0716 8.4041 123.0734 62.3543 31.5339 175.8168 66 V 4.4169 8.5971 120.7722 62.2460 33.4220 175.7968 67 S 4.8308 7.8018 113.3204 57.7780 65.9751 173.5197 68 S 5.4697 8.4954 113.5308 58.3735 65.3646 173.8889 69 S 4.9345 9.3834 114.9705 58.3997 66.6284 172.7397 70 C 4.9977 8.4951 118.9027 58.4645 34.3526 172.3693 71 D 4.7210 8.7851 125.6788 52.5198 43.3663 174.6599 72 Y 4.3349 8.0937 119.8245 56.4528 39.4662 174.9360 73 F 4.9944 9.0561 123.1043 58.4773 40.9229 176.5208 74 A 4.7709 7.8896 118.7947 49.3627 22.0575 173.6317 75 P 4.6471 0.0000 0.0000 62.9577 32.4026 175.9054 76 V 4.8905 8.3258 113.7839 59.8163 35.7280 174.3654 77 A 5.1047 9.5604 122.9399 49.9534 22.8148 175.7755 78 F 4.4279 9.6934 123.3409 57.7606 39.8008 173.4159 79 P 3.9717 0.0000 0.0000 62.0702 31.6464 175.2595 80 Q 4.0528 7.9731 118.3647 57.3268 29.7356 175.7267 81 R 4.6799 8.4781 123.2709 55.1911 31.5655 175.2638 82 I 4.7643 8.2323 118.4192 59.4526 41.4287 174.3591 83 E 4.7912 9.0958 122.4187 54.7555 33.6599 174.9731 *85 G 2.8002 8.4685 105.4112 46.4468 0.0000 171.9496 86 L 5.2951 8.0365 123.0629 53.2272 46.0380 175.1401 87 R 5.0230 9.1750 121.0120 54.7680 33.3684 173.5886 88 V 4.1277 8.6074 120.3484 62.8012 32.7562 174.2170 89 A 4.2484 9.4262 134.1866 53.5743 18.1804 178.0943 90 R 4.3749 8.2224 114.5520 54.3731 32.5123 178.6393 91 L 4.7918 8.4327 123.7324 52.8997 43.6737 175.6270 92 G 4.1472 8.4787 118.8105 44.2751 0.0000 171.2139 93 N 4.4401 8.9162 116.6067 56.6233 39.1693 177.1850 94 S 5.1240 8.3421 110.3298 56.9984 65.2648 173.3151 95 S 5.3596 7.9800 114.3204 56.8717 66.9556 173.1012 96 V 4.7346 8.5112 119.2350 60.2081 35.2374 173.4794 97 Q 4.5875 8.9722 124.9746 54.7247 30.8865 173.7082 98 Y 4.9458 8.3658 125.0665 56.7702 40.2551 174.4323 99 E 5.0910 9.4296 122.9328 54.6181 32.4192 175.1332 100 L 5.0791 8.6931 123.5850 52.9136 45.8165 175.4533 101 A 4.7206 7.8105 122.0759 50.3368 22.6749 175.2388 102 L 4.6814 8.8995 123.6975 53.5448 44.1695 175.3533 103 F 5.2716 9.4171 124.6218 55.5305 42.9238 174.7707 104 L 4.6052 8.5517 121.1808 54.0391 43.1110 176.4919 105 E 4.2527 8.7925 121.6277 58.1686 29.8357 178.1879 106 G 3.9460 8.7883 109.9748 45.7325 0.0000 173.3284 107 Q 4.6300 7.6405 117.9406 54.5336 30.9112 175.2955 108 R 4.3051 8.4188 120.1603 58.1546 31.9806 176.0465 109 E 4.9878 8.2684 117.7251 55.5236 30.3032 176.9444 110 A 3.6921 8.8094 126.6619 52.2136 18.8044 177.4579 111 C 4.5394 9.3913 118.1389 62.3471 29.6937 173.5686 112 A 4.6679 7.7703 117.7238 50.9401 22.4248 175.0571 113 A 4.8165 8.4510 120.4007 50.8746 22.9627 175.6878 114 G 4.0249 8.8718 109.3019 45.9916 0.0000 172.0225 115 R 5.6652 9.1346 117.4075 56.3475 33.3086 174.4811 116 F 5.5843 8.4443 114.6555 55.9183 42.2735 172.6199 117 V 5.3038 8.8886 118.5985 60.6639 34.2246 173.6926 118 H 5.4429 8.5775 124.2370 54.2996 31.2034 173.6320 119 V 4.5501 8.5860 123.5752 61.4232 33.3441 174.6383 120 F 5.1058 8.9926 127.5927 57.3033 40.1673 175.2513 121 V 5.0291 9.1944 116.2314 59.0004 36.6425 174.5072 122 E 4.2997 9.1052 126.3066 57.4919 30.0033 178.0149 *123 R 4.0108 9.4946 131.2653 61.0035 29.7481 176.7543 124 R 4.2898 8.1045 114.8817 57.0714 29.4343 178.7646 125 S 4.5368 7.9489 111.9646 58.2112 64.0875 174.9302 126 S 3.7134 8.3813 116.8445 59.5100 60.2093 177.7596 127 R 4.5758 7.4078 120.4056 55.9860 30.5984 177.4445 128 P 4.8365 0.0000 0.0000 62.5650 32.3073 175.8891 129 V 4.7011 8.8849 115.1307 59.0450 36.3037 174.8069 130 A 4.4497 8.5341 123.8661 51.8499 19.0379 177.6792 131 I 3.7969 8.2278 123.6790 60.6296 37.6256 174.8564 132 P 4.3568 0.0000 0.0000 62.8996 32.4042 177.6275 133 Q 3.9549 8.9286 122.4863 60.9467 27.7148 180.1404 134 E 4.1829 8.0985 120.7220 58.6337 29.6784 178.5627 135 L 4.0150 7.6446 121.5505 57.3653 42.2642 178.5939 136 R 3.8220 8.0074 118.8595 59.6431 30.0376 178.1052 137 D 4.3841 8.4781 118.7848 57.4746 40.5971 178.7726 138 A 4.1320 7.5391 119.9451 55.0192 18.6142 179.4600 139 L 4.2423 8.0487 117.3733 57.9426 41.9010 179.4037 140 A 4.1541 8.5611 120.8581 55.0594 18.0613 179.2745 141 A 4.1752 8.0156 117.9910 54.1252 18.6353 178.0564 142 L 4.4351 7.8095 116.6984 54.4821 42.1255 175.9835 143 Q 4.7692 8.0154 118.4516 55.3725 29.8184 176.0807 144 S 4.4516 8.6601 115.3324 58.5227 62.9917 168.6403 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 6 R 8.25 3.50 0.00 1.49 1.62 0.00 3.05 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 7 P 0.00 4.51 0.00 2.44 2.31 0.00 3.56 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 2.31 2.30 0.00 8 L 8.74 6.13 0.00 1.64 1.71 0.94 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 9 R 8.86 3.59 0.00 1.20 1.73 0.00 2.91 0.00 0.00 3.06 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.02 0.00 10 E 8.17 4.10 0.00 2.11 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 2.28 2.28 0.00 11 Q 8.14 4.10 0.00 2.11 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 12 Y 8.10 4.78 0.00 2.80 2.67 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 0.00 0.00 0.00 13 L 8.53 4.59 0.00 1.65 1.76 0.96 0.97 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 14 H 8.28 5.11 0.00 3.15 2.93 0.00 5.72 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.86 5.16 0.00 2.80 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 16 Q 8.50 4.55 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 17 P 0.00 4.74 0.00 2.12 2.05 0.00 3.80 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 2.00 2.01 0.00 18 I 8.83 4.67 1.34 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 1.25 1.26 0.81 0.00 0.00 19 S 8.79 4.81 0.00 3.94 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 20 T 7.98 4.78 4.56 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 1.39 0.00 0.00 21 R 9.81 4.93 0.00 2.04 1.84 0.00 3.20 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 22 W 8.43 2.82 0.00 2.75 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 23 H 8.00 4.32 0.00 3.07 3.25 0.00 5.99 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 24 D 8.03 4.36 0.00 2.92 2.68 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 0.00 25 N 7.41 4.67 0.00 2.34 2.57 0.00 0.00 7.00 7.92 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 26 D 8.63 4.66 0.00 2.65 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 27 I 7.95 3.53 1.65 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.72 0.18 0.00 0.00 28 Y 7.92 4.62 0.00 3.14 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 29 G 8.56 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 30 H 7.79 5.15 0.00 3.12 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.01 4.09 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 0.47 0.00 0.00 1.00 0.00 0.00 32 N 9.06 4.59 0.00 2.70 2.57 0.00 0.00 6.63 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.78 4.30 0.00 2.25 2.18 0.00 0.00 5.78 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 34 V 8.49 3.86 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 0.99 0.00 0.00 0.93 0.00 0.00 35 T 7.61 3.60 3.99 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 0.50 0.00 0.00 36 Y 7.51 3.70 0.00 2.92 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 37 Y 7.51 3.53 0.00 3.08 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 38 A 7.62 3.94 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 39 F 7.77 4.57 0.00 3.23 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 40 F 8.27 4.58 0.00 3.19 3.27 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 41 D 8.36 4.36 0.00 2.67 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 42 T 8.27 3.99 4.59 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 1.31 0.00 0.00 43 A 8.48 4.07 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 44 V 8.07 3.51 2.20 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 0.74 0.00 0.00 0.34 0.00 0.00 45 N 8.76 4.48 0.00 2.97 2.94 0.00 0.00 7.14 6.69 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 46 T 8.14 3.92 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 47 Y 7.81 4.06 0.00 2.97 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 48 L 8.31 4.00 0.00 1.84 1.79 1.29 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.77 3.76 2.07 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 1.53 0.76 1.00 0.00 0.00 50 E 8.17 4.20 0.00 1.92 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 2.35 2.51 0.00 51 R 7.45 4.44 0.00 1.05 1.35 0.00 3.20 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.41 0.00 52 G 8.42 3.61 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 0.00 53 G 7.99 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 54 L 8.43 4.13 0.00 1.75 1.66 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.09 4.36 0.00 2.77 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 56 I 7.61 3.92 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.14 1.01 0.00 0.00 57 Q 8.49 4.15 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 58 G 8.36 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 59 G 8.04 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 0.00 0.00 0.00 60 E 8.24 4.19 0.00 1.67 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 2.31 1.88 0.00 61 V 7.55 4.99 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 1.08 0.00 0.00 0.95 0.00 0.00 62 I 8.98 4.81 1.92 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 1.21 0.96 0.98 0.00 0.00 63 G 8.70 4.11 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 0.00 0.00 0.00 64 L 8.63 4.98 0.00 1.53 1.53 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.40 5.07 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 0.67 0.00 0.00 0.83 0.00 0.00 66 V 8.60 4.42 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 0.79 0.00 0.00 0.95 0.00 0.00 67 S 7.80 4.83 0.00 3.89 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 68 S 8.50 5.47 0.00 4.20 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 69 S 9.38 4.93 0.00 3.96 4.07 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 0.00 0.00 0.00 70 C 8.50 5.00 0.00 2.51 2.26 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 71 D 8.79 4.72 0.00 2.13 1.93 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 72 Y 8.09 4.33 0.00 2.55 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 9.06 4.99 0.00 2.99 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 74 A 7.89 4.77 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 75 P 0.00 4.65 0.00 1.92 1.90 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.89 0.00 76 V 8.33 4.89 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.01 0.00 0.00 77 A 9.56 5.10 1.23 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 0.00 0.00 0.00 78 F 9.69 4.43 0.00 3.14 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 79 P 0.00 3.97 0.00 1.74 0.62 0.00 3.63 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 80 Q 7.97 4.05 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 81 R 8.48 4.68 0.00 1.79 1.94 0.00 3.17 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 82 I 8.23 4.76 1.77 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 0.52 0.73 0.83 0.00 0.00 83 E 9.10 4.79 0.00 2.04 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 0.00 2.25 2.27 0.00 *85 G 8.47 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 0.00 0.00 0.00 86 L 8.04 5.30 0.00 1.59 1.48 0.84 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.18 5.02 0.00 1.96 1.96 0.00 2.66 0.00 0.00 2.88 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 88 V 8.61 4.13 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 0.84 0.00 0.00 0.93 0.00 0.00 89 A 9.43 4.25 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 0.00 0.00 0.00 0.00 0.00 90 R 8.22 4.37 0.00 1.51 1.80 0.00 3.19 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.19 0.00 91 L 8.43 4.79 0.00 1.48 1.54 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.48 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 93 N 8.92 4.44 0.00 2.78 2.84 0.00 0.00 6.70 7.63 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 94 S 8.34 5.12 0.00 3.82 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 95 S 7.98 5.36 0.00 3.89 3.89 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 96 V 8.51 4.73 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 0.47 0.00 0.00 0.71 0.00 0.00 97 Q 8.97 4.59 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 98 Y 8.37 4.95 0.00 2.32 2.50 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 99 E 9.43 5.09 0.00 1.86 1.93 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 2.19 2.37 0.00 100 L 8.69 5.08 0.00 0.59 0.86 0.83 0.64 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 0.00 101 A 7.81 4.72 0.40 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 0.00 102 L 8.90 4.68 0.00 1.83 1.61 1.04 0.97 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 0.00 103 F 9.42 5.27 0.00 3.04 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 0.00 104 L 8.55 4.61 0.00 1.69 1.63 0.98 0.96 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 0.00 105 E 8.79 4.25 0.00 1.96 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 2.49 2.33 0.00 106 G 8.79 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 0.00 107 Q 7.64 4.63 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.70 2.49 0.00 108 R 8.42 4.31 0.00 1.89 1.94 0.00 3.43 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 109 E 8.27 4.99 0.00 1.96 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 0.00 2.35 2.35 0.00 110 A 8.81 3.69 0.88 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 0.00 111 C 9.39 4.54 0.00 2.95 3.32 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 0.00 112 A 7.77 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.45 4.82 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 0.00 114 G 8.87 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 0.00 115 R 9.13 5.67 0.00 1.98 2.02 0.00 3.30 0.00 0.00 3.34 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 116 F 8.44 5.58 0.00 3.37 3.33 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 0.00 117 V 8.89 5.30 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 0.80 0.00 0.00 0.90 0.00 0.00 118 H 8.58 5.44 0.00 2.95 2.30 0.00 5.67 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 0.00 119 V 8.59 4.55 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 1.04 0.00 0.00 0.91 0.00 0.00 120 F 8.99 5.11 0.00 3.16 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 0.00 121 V 9.19 5.03 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 0.71 0.00 0.00 1.01 0.00 0.00 122 E 9.11 4.30 0.00 2.21 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 2.33 2.30 0.00 *123 R 9.49 4.01 0.00 1.52 1.93 0.00 3.32 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 124 R 8.10 4.29 0.00 1.82 1.86 0.00 3.18 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 125 S 7.95 4.54 0.00 3.77 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 0.00 126 S 8.38 3.71 0.00 3.75 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 0.00 127 R 7.41 4.58 0.00 1.51 1.83 0.00 3.25 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 128 P 0.00 4.84 0.00 1.95 2.06 0.00 3.60 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 2.05 2.15 0.00 129 V 8.88 4.70 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 0.96 0.00 0.00 1.01 0.00 0.00 130 A 8.53 4.45 1.23 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 0.00 0.00 0.00 131 I 8.23 3.80 1.82 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 1.33 0.87 0.64 0.00 0.00 132 P 0.00 4.36 0.00 2.16 2.14 0.00 3.50 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.89 0.00 133 Q 8.93 3.95 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.03 0.00 134 E 8.10 4.18 0.00 1.99 1.93 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 2.33 2.34 0.00 135 L 7.64 4.01 0.00 1.62 1.65 0.87 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.01 3.82 0.00 1.86 2.06 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 137 D 8.48 4.38 0.00 2.69 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 0.00 138 A 7.54 4.13 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 0.00 139 L 8.05 4.24 0.00 1.91 1.77 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.56 4.15 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 0.00 141 A 8.02 4.18 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.81 4.44 0.00 1.88 1.69 0.42 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 8.02 4.77 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 5.47 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 144 S 8.66 4.45 0.00 4.05 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 * Residues marked with a * may have inaccurate shift predictions.