NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 K 4.3102 8.3149 120.1365 55.2725 33.5307 175.2220 11 P 4.5869 0.0000 0.0000 62.4980 31.8920 170.7984 12 V 4.7487 10.0210 118.1094 59.6581 36.1572 174.1358 13 L 5.1517 9.2177 121.8317 53.2529 44.7871 176.1444 14 L 4.7083 8.7521 121.1198 53.1164 44.6285 174.9317 15 K 4.8118 8.8525 126.2567 54.0777 34.8173 175.1908 16 S 4.0342 8.8926 123.9022 58.3568 62.6219 175.0287 17 T 3.7890 8.3205 118.3787 64.7479 68.7024 175.8284 18 E 3.9365 8.1914 122.5224 58.6223 29.7551 177.1333 19 T 4.2923 7.3786 105.0592 60.4031 69.5580 174.5621 20 G 3.7787 7.7924 109.5449 46.5363 0.0000 173.2424 21 Q 4.5066 7.3749 118.6647 54.9749 30.4319 174.6159 22 Y 4.9469 9.1091 121.8325 56.6164 39.8952 174.9697 23 L 4.5564 9.1637 126.4630 55.4021 43.7669 175.6657 24 R 4.9803 9.0704 125.0213 53.6444 33.6661 173.4941 25 I 4.7761 8.3596 126.8864 59.8374 38.5911 175.4294 26 N 4.5715 9.1117 125.4828 51.6658 39.4906 174.6503 27 P 4.1744 0.0000 0.0000 65.6794 31.4501 177.2409 28 D 4.5095 7.9485 114.8355 53.6186 39.7728 177.0135 29 G 4.2426 8.4149 110.4734 45.0993 0.0000 173.9070 30 T 4.4901 8.1220 110.2979 61.5588 70.4230 173.7977 31 V 5.0327 8.1827 122.1318 61.5396 34.6140 174.1588 32 D 4.7539 8.9578 125.9258 52.8148 42.8071 173.7637 33 G 4.6598 8.7225 105.2799 45.3323 0.0000 172.7559 34 T 4.8905 8.9600 115.2991 60.8088 71.3424 174.2740 35 R 4.6528 8.6593 122.7264 56.0838 31.0478 176.9014 36 D 4.5896 8.1786 120.1465 53.1600 39.4816 176.4550 37 R 3.9082 8.2386 123.4665 57.1146 30.3246 177.1811 38 S 4.2862 8.0690 111.0089 59.9604 63.4385 173.9228 39 D 4.4021 8.3100 123.5258 54.2118 40.8423 176.9274 40 Q 4.0251 8.5667 125.8463 58.8867 29.0070 177.3214 41 H 4.4783 8.3762 114.1746 56.4873 28.7583 176.2915 42 I 4.6124 7.0333 110.8456 60.3956 38.3541 175.6221 43 Q 4.5880 7.4161 120.9791 55.4753 30.1348 174.9178 44 F 5.3034 9.3395 121.8215 55.7487 43.4179 173.8829 45 Q 4.9211 9.3141 120.7540 54.2862 30.9739 174.8141 46 V 4.7886 8.4678 124.5467 61.9677 32.7424 175.0411 47 S 4.8729 8.8385 121.2706 56.1053 66.8792 171.4532 48 P 4.9744 0.0000 0.0000 62.1973 32.1913 175.5063 49 E 4.2851 8.8828 123.7311 54.8681 31.6503 175.4786 50 G 4.1041 8.7987 118.8302 46.6690 0.0000 173.6009 51 G 3.7957 8.7884 108.0293 47.3110 0.0000 174.4299 52 G 4.1333 7.9576 104.3652 44.8783 0.0000 171.1976 53 E 4.9836 7.9578 118.4434 54.4094 33.5047 175.1384 54 V 5.0559 8.9522 113.3476 59.8591 36.3603 174.8651 55 L 5.3000 8.9730 122.1977 53.2691 44.8373 176.0270 56 L 4.6375 8.7485 121.5819 53.1411 44.1006 174.7209 57 K 4.8295 8.8947 126.1562 54.0405 34.7213 175.2575 58 S 3.9734 9.0112 123.4174 58.6778 62.5985 174.8231 59 T 3.7788 8.2806 118.7181 64.9642 68.4485 175.9072 60 E 4.0794 8.1656 120.7610 58.0317 29.8032 177.3559 61 T 4.2945 7.7551 106.5731 60.4825 70.3767 175.4517 62 G 3.7632 8.1317 109.6291 45.3740 0.0000 173.3974 63 Q 4.3573 7.4903 119.3448 55.6252 30.2893 174.7441 64 Y 4.9848 9.0918 121.2899 56.6755 40.0239 174.8734 65 L 4.5524 9.1094 126.2827 55.3162 43.6705 175.6024 66 R 5.0045 9.1960 125.8358 54.7128 33.4671 173.6464 67 I 4.7260 8.2146 127.1014 59.7520 38.4242 175.7077 68 N 4.5304 9.1545 125.6089 51.7992 39.3590 174.6288 69 P 4.1568 0.0000 0.0000 65.7665 31.4052 177.3068 70 D 4.4954 7.9533 114.6299 53.6482 39.8378 177.0520 71 G 4.2305 8.4905 110.5430 44.9932 0.0000 173.7978 72 T 4.4213 8.2493 110.5806 61.5840 70.3767 173.7011 73 V 5.0614 8.2872 122.5362 61.4242 34.3382 174.0763 74 D 4.8843 9.0593 126.3385 52.4474 43.3680 173.7240 75 G 4.6061 8.8552 105.6072 45.1155 0.0000 173.1252 76 T 4.8947 8.9563 116.0967 60.4428 71.3393 174.2948 76A R 4.5761 8.6380 123.6292 55.9415 30.9952 176.1720 77 D 4.5396 8.3560 119.9044 53.4936 40.0842 176.7752 78 R 3.8868 8.4809 127.9119 58.5206 30.3181 177.3414 79 S 4.3555 8.1707 110.7117 58.8862 63.5776 174.0418 80 D 4.3932 7.8701 122.0456 54.8827 41.3354 175.5475 81 Q 4.5206 8.5511 123.5466 56.1990 29.3006 175.5149 82 H 4.7409 8.8187 115.0948 55.5090 29.1318 175.2082 83 I 4.7700 7.1679 110.6125 59.9310 38.2831 175.0961 84 Q 4.6513 7.5183 121.5878 55.0166 30.3268 174.5939 85 F 5.1790 9.3799 122.5715 55.7200 42.9789 174.0944 86 Q 4.9414 9.2954 120.6520 54.2630 31.3237 174.6986 87 V 4.7665 8.4660 123.8185 61.4442 33.0621 174.7510 88 S 4.8779 8.7768 123.0899 55.6699 65.2968 172.1357 89 P 4.5517 0.0000 0.0000 62.7905 31.5536 175.6929 90 E 4.3917 9.4362 122.7081 55.1607 30.2290 173.3541 91 G 3.9566 8.1599 111.2045 47.5208 0.0000 173.8638 92 G 3.7118 8.6499 111.6733 46.1532 0.0000 175.4205 93 G 4.0042 8.3387 108.5629 45.1752 0.0000 174.6015 94 E 4.6388 7.5235 118.6918 56.2573 31.0257 176.2313 95 V 5.0262 8.9972 114.7693 59.8120 36.4386 174.6467 96 L 5.0443 8.9502 122.4678 53.4263 44.5621 176.0322 97 L 5.1252 8.7279 121.1870 53.1731 44.4627 174.9188 98 K 4.8134 9.0101 126.5265 54.2227 34.6258 175.1599 99 S 4.0813 8.9407 123.9915 58.2226 62.6558 174.9868 100 T 3.7941 8.3729 118.5629 64.7191 68.6324 175.7449 101 E 3.9740 8.1476 122.4221 58.2084 29.8138 176.9302 102 T 4.3359 7.5699 105.0069 60.3007 70.0182 174.3713 103 G 3.6189 7.9984 110.4804 46.6587 0.0000 172.8711 *107 Q 4.6170 7.5484 117.2472 55.7882 30.7131 174.0396 108 Y 4.8981 8.9842 121.3743 57.0984 39.7125 174.8560 109 L 4.5486 9.0840 126.1362 55.3660 43.7353 175.6601 110 R 5.0201 9.2059 125.5287 54.7450 33.6129 173.4960 111 I 4.9424 8.1712 126.7699 59.7601 38.7428 175.5599 112 N 4.5725 9.0491 125.2592 51.5181 39.6111 174.5991 113 P 4.1558 0.0000 0.0000 65.7193 31.4343 177.3563 114 D 4.4603 7.9495 114.8402 53.8447 39.7006 177.0553 115 G 4.1710 8.5261 110.3829 45.0221 0.0000 173.6798 116 T 4.4706 8.2316 110.5578 61.4510 70.4811 173.7051 117 V 5.0258 8.2527 122.4577 61.4531 34.3095 174.1370 118 D 4.8113 9.0936 126.0682 52.7253 43.2698 173.7320 119 G 4.7680 8.8815 105.0562 44.7450 0.0000 172.7415 *123 T 4.8263 8.1074 115.4191 62.0815 68.4800 174.8163 123A R 4.2617 8.8036 125.4689 57.6356 30.8818 176.4661 124 D 4.5661 8.1805 118.6548 53.3162 39.8789 176.5047 125 R 3.5637 8.5474 127.3314 58.0201 30.2563 177.1072 126 S 4.4629 8.1143 110.7247 58.3400 63.6217 173.9700 127 D 4.3650 7.8289 121.9692 54.9809 41.2546 175.8277 128 Q 4.2506 8.6062 123.7351 56.8542 29.1356 175.8077 129 H 4.7141 9.2413 115.8752 55.5415 28.9351 175.3101 130 I 4.8741 7.4329 110.9547 60.1121 38.6647 175.1412 131 Q 4.5763 7.6729 123.4329 55.3964 30.2020 174.6327 132 F 5.2004 9.2693 122.5394 55.6262 43.0114 173.9225 133 Q 4.7830 9.2588 124.0391 54.6400 30.7155 174.2739 134 V 4.8680 8.4815 127.2660 61.7468 32.6526 174.9743 135 S 4.8808 8.7489 122.4420 55.6007 66.4607 172.7097 136 P 4.4331 0.0000 0.0000 63.0236 31.0990 176.3494 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 10 K 8.31 4.31 0.00 1.77 1.82 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.42 7.81 11 P 0.00 4.59 0.00 2.01 1.97 0.00 3.62 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 2.01 2.16 0.00 12 V 10.02 4.75 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 0.85 0.00 0.00 0.98 0.00 0.00 13 L 9.22 5.15 0.00 1.71 1.75 0.71 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.75 4.71 0.00 1.39 1.33 -0.03 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.85 4.81 0.00 1.76 1.57 0.00 1.27 0.00 0.00 1.30 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.92 0.21 7.81 16 S 8.89 4.03 0.00 3.40 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 17 T 8.32 3.79 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 18 E 8.19 3.94 0.00 1.71 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 1.93 2.24 0.00 19 T 7.38 4.29 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 1.24 0.00 0.00 20 G 7.79 3.78 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 0.00 0.00 0.00 21 Q 7.37 4.51 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.19 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 22 Y 9.11 4.95 0.00 3.13 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 23 L 9.16 4.56 0.00 1.88 1.64 1.01 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.07 4.98 0.00 1.99 1.97 0.00 3.25 0.00 0.00 3.36 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.46 0.00 25 I 8.36 4.78 1.80 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.90 0.93 0.00 0.00 26 N 9.11 4.57 0.00 2.92 2.66 0.00 0.00 6.56 7.58 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 27 P 0.00 4.17 0.00 1.99 2.10 0.00 3.53 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 28 D 7.95 4.51 0.00 2.76 2.76 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 29 G 8.41 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 0.00 0.00 0.00 0.00 30 T 8.12 4.49 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 1.27 0.00 0.00 31 V 8.18 5.03 2.31 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 0.96 0.00 0.00 1.03 0.00 0.00 32 D 8.96 4.75 0.00 3.00 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 33 G 8.72 4.66 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 34 T 8.96 4.89 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 1.33 0.00 0.00 35 R 8.66 4.65 0.00 1.88 2.00 0.00 3.27 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 36 D 8.18 4.59 0.00 2.79 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 37 R 8.24 3.91 0.00 1.74 1.87 0.00 3.14 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 38 S 8.07 4.29 0.00 4.01 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 39 D 8.31 4.40 0.00 2.85 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.57 4.03 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.23 0.00 41 H 8.38 4.48 0.00 3.39 3.43 0.00 5.80 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.03 4.61 1.94 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.29 1.02 0.00 0.00 43 Q 7.42 4.59 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 44 F 9.34 5.30 0.00 3.06 2.87 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 45 Q 9.31 4.92 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 46 V 8.47 4.79 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 0.82 0.00 0.00 0.93 0.00 0.00 47 S 8.84 4.87 0.00 3.95 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 48 P 0.00 4.97 0.00 1.97 2.03 0.00 3.64 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 2.03 2.09 0.00 49 E 8.88 4.29 0.00 2.03 1.77 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 2.13 2.23 0.00 50 G 8.80 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.79 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 0.00 0.00 0.00 52 G 7.96 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 53 E 7.96 4.98 0.00 2.11 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 2.19 2.23 0.00 54 V 8.95 5.06 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 0.77 0.00 0.00 1.05 0.00 0.00 55 L 8.97 5.30 0.00 1.74 1.75 0.67 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.75 4.64 0.00 1.39 1.31 -0.11 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.89 4.83 0.00 1.81 1.60 0.00 1.21 0.00 0.00 1.33 0.00 0.00 2.73 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.99 0.31 7.81 58 S 9.01 3.97 0.00 3.60 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 0.00 59 T 8.28 3.78 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 1.18 0.00 0.00 60 E 8.17 4.08 0.00 1.87 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 2.22 2.13 0.00 61 T 7.76 4.29 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 62 G 8.13 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 63 Q 7.49 4.36 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 64 Y 9.09 4.98 0.00 3.12 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 65 L 9.11 4.55 0.00 1.89 1.64 1.00 0.47 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 R 9.20 5.00 0.00 1.99 2.09 0.00 3.19 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 67 I 8.21 4.73 1.84 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.95 0.94 0.00 0.00 68 N 9.15 4.53 0.00 2.92 2.66 0.00 0.00 6.57 7.59 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 69 P 0.00 4.16 0.00 1.99 2.10 0.00 3.54 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 70 D 7.95 4.50 0.00 2.78 2.76 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 71 G 8.49 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 0.00 0.00 0.00 0.00 72 T 8.25 4.42 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 1.27 0.00 0.00 73 V 8.29 5.06 2.31 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 1.01 0.00 0.00 1.02 0.00 0.00 74 D 9.06 4.88 0.00 2.95 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 75 G 8.86 4.61 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 76 T 8.96 4.89 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 1.33 0.00 0.00 76A R 8.64 4.58 0.00 1.87 1.97 0.00 3.26 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 77 D 8.36 4.54 0.00 2.71 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 78 R 8.48 3.89 0.00 1.83 1.95 0.00 2.98 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 79 S 8.17 4.36 0.00 4.01 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 80 D 7.87 4.39 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.55 4.52 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.10 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 82 H 8.82 4.74 0.00 3.27 3.40 0.00 5.58 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.17 4.77 1.92 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.48 1.08 0.00 0.00 84 Q 7.52 4.65 0.00 1.92 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 85 F 9.38 5.18 0.00 2.86 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 86 Q 9.30 4.94 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 87 V 8.47 4.77 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 0.83 0.00 0.00 0.93 0.00 0.00 88 S 8.78 4.88 0.00 3.97 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.55 0.00 2.08 2.05 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 90 E 9.44 4.39 0.00 1.83 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 91 G 8.16 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 92 G 8.65 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 93 G 8.34 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 7.52 4.64 0.00 1.96 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 2.31 2.44 0.00 95 V 9.00 5.03 2.19 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 0.77 0.00 0.00 1.02 0.00 0.00 96 L 8.95 5.04 0.00 1.74 1.75 0.69 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.73 5.13 0.00 1.40 1.34 -0.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 98 K 9.01 4.81 0.00 1.81 1.62 0.00 1.39 0.00 0.00 1.46 0.00 0.00 2.59 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.01 0.37 7.81 99 S 8.94 4.08 0.00 3.42 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.37 3.79 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 1.23 0.00 0.00 101 E 8.15 3.97 0.00 1.87 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 1.89 2.26 0.00 102 T 7.57 4.34 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 1.23 0.00 0.00 103 G 8.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *107 Q 7.55 4.62 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.32 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 108 Y 8.98 4.90 0.00 3.12 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 0.00 109 L 9.08 4.55 0.00 1.86 1.62 1.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 110 R 9.21 5.02 0.00 1.99 2.10 0.00 3.18 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 111 I 8.17 4.94 1.83 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.89 0.94 0.00 0.00 112 N 9.05 4.57 0.00 2.86 2.66 0.00 0.00 6.56 8.17 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 0.00 113 P 0.00 4.16 0.00 1.99 2.10 0.00 3.53 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 114 D 7.95 4.46 0.00 2.76 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 0.00 115 G 8.53 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 0.00 0.00 0.00 0.00 116 T 8.23 4.47 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 1.25 0.00 0.00 117 V 8.25 5.03 2.30 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 0.98 0.00 0.00 1.00 0.00 0.00 118 D 9.09 4.81 0.00 3.02 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 0.00 119 G 8.88 4.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *123 T 8.11 4.83 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 1.34 0.00 0.00 123A R 8.80 4.26 0.00 1.89 2.02 0.00 3.27 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 124 D 8.18 4.57 0.00 2.82 2.63 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 0.00 125 R 8.55 3.56 0.00 1.87 1.90 0.00 3.32 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.08 0.00 126 S 8.11 4.46 0.00 3.99 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 0.00 127 D 7.83 4.36 0.00 2.74 2.63 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 0.00 128 Q 8.61 4.25 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.14 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 129 H 9.24 4.71 0.00 3.27 3.37 0.00 5.78 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.43 4.87 2.02 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 1.02 0.00 0.00 131 Q 7.67 4.58 0.00 1.93 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 132 F 9.27 5.20 0.00 2.88 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 0.00 133 Q 9.26 4.78 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 134 V 8.48 4.87 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 0.88 0.00 0.00 0.92 0.00 0.00 135 S 8.75 4.88 0.00 3.96 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.43 0.00 2.08 2.02 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.