NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 P 4.6847 0.0000 0.0000 62.5243 33.5816 174.7463 12 V 4.7757 8.7840 114.7327 59.2723 35.9161 173.0111 13 L 5.1872 9.9968 123.0947 53.1444 45.5088 175.8260 14 L 4.8027 8.7811 121.5698 53.1753 44.1031 174.8829 15 K 4.8276 8.7304 126.1644 54.0112 34.9331 175.2033 16 S 3.8105 8.8833 123.4940 58.4661 62.6378 174.7920 17 T 3.6967 8.2661 118.7016 64.9883 68.5129 175.7104 18 E 3.9603 8.1922 122.1040 58.3006 29.7884 177.0959 19 T 4.2592 7.6535 105.3057 60.4424 69.9560 174.7053 20 G 3.7435 7.8255 109.8434 46.4452 0.0000 173.3341 21 Q 4.5166 7.3526 118.4659 54.8790 30.6716 174.5383 22 Y 5.0443 9.0910 120.6786 56.5714 40.0811 175.2910 23 L 4.7482 9.1265 123.7815 55.0708 43.3475 176.1618 24 R 4.9261 9.2563 122.5323 54.8466 33.7496 173.5407 25 I 4.8392 7.8818 125.9767 59.7976 38.5119 175.6286 26 N 4.5711 9.0769 125.4125 51.7211 39.4558 174.7803 27 P 4.1844 0.0000 0.0000 65.5559 31.4845 177.3815 28 D 4.4720 7.9416 115.1534 53.8636 39.7189 177.0243 29 G 4.2375 8.4992 110.6109 45.0811 0.0000 173.8310 30 T 4.4995 8.2317 110.4371 61.5133 70.4848 173.7752 31 V 5.0087 8.2468 122.2103 61.4546 34.3532 174.1285 32 D 4.7751 9.0675 126.2299 52.5822 43.1094 173.7385 33 G 4.5698 8.7858 105.3478 45.2018 0.0000 173.0025 34 T 4.8613 8.9512 115.7046 60.4251 71.3639 174.2365 35 R 4.7223 8.6122 123.9592 56.1663 30.6236 177.0461 36 D 4.6145 8.0813 120.7114 52.7312 39.4492 176.5460 37 R 3.6356 8.3707 125.2551 58.1207 30.3014 177.2529 38 S 4.3777 7.9127 110.3711 58.7012 63.5349 173.8172 39 D 4.4268 8.2671 123.8253 54.2386 40.8883 177.0077 40 T 3.8755 8.4144 116.8096 64.4788 69.4077 175.3511 41 H 4.4108 8.5278 118.7975 56.6142 28.7810 176.1754 42 I 4.5966 7.0702 111.5980 60.2454 38.1967 175.5800 43 Q 4.5048 7.4888 121.5428 55.7059 29.8038 175.0365 44 F 5.2327 9.3678 122.2132 55.6099 43.3524 173.7077 45 Q 4.8984 9.4036 122.4118 54.4923 31.5286 174.1875 46 I 4.9560 8.4772 127.4066 60.0280 38.4291 175.1121 47 S 4.9273 8.7060 121.7003 55.5932 66.3538 171.9522 48 P 4.8073 0.0000 0.0000 62.6966 32.4562 175.7629 49 E 4.2441 8.9003 124.0796 54.9350 31.6867 175.5575 50 G 3.8233 8.7014 119.3410 46.3411 0.0000 172.3740 51 N 4.7991 8.8334 118.2551 52.9371 38.2055 175.8020 52 G 4.1381 7.8822 104.3563 45.2675 0.0000 171.3550 53 E 5.0190 7.9607 117.6212 54.4941 34.1235 174.9110 54 V 5.0733 8.9235 112.9690 59.9430 36.4981 174.8800 55 L 5.3112 8.9739 122.1247 53.2452 44.8797 175.9844 56 L 4.7559 8.7243 121.5808 53.2158 44.0425 174.9195 57 K 4.8801 8.9139 126.1367 54.0545 35.0873 175.2300 58 S 3.9109 9.0159 122.8460 58.6579 62.6316 174.8109 59 T 3.8249 8.4420 125.1005 66.6557 68.1252 175.6844 60 E 4.1881 8.0934 118.9549 57.4385 30.0794 176.9163 61 T 4.3119 7.6434 106.5077 60.2773 70.2601 175.3459 62 G 3.7545 8.0456 109.6947 45.6748 0.0000 173.5579 63 Q 4.3801 7.5055 118.8010 55.5877 30.3738 174.6078 64 Y 5.0490 9.0560 120.7186 56.4171 40.3025 174.9723 65 L 4.5785 9.0544 125.9981 55.2750 43.8076 175.6449 66 R 4.9455 9.1056 125.4502 54.7811 33.6147 173.5267 67 I 4.7325 8.0528 127.5320 59.7711 38.4471 175.7177 68 N 4.5369 9.1569 125.5697 51.8017 39.3903 174.5533 69 P 4.2125 0.0000 0.0000 65.8587 31.3976 177.3958 70 D 4.4582 7.9260 114.5642 53.9157 39.8914 176.9789 71 G 4.2426 8.5841 110.4778 44.9345 0.0000 173.7354 72 T 4.5113 8.2630 110.5485 61.5192 70.5069 173.7830 73 V 5.0320 8.2442 122.0766 61.4760 34.4575 174.0708 74 D 4.8263 9.0107 126.4084 52.3887 43.2613 173.7621 75 G 4.6496 8.8860 105.4542 45.1453 0.0000 173.0304 76 T 4.8895 8.9820 116.1467 60.3981 71.3552 174.2754 76A R 4.6696 8.6345 123.6580 55.9748 30.9454 176.2800 77 D 4.5551 8.2251 119.8120 53.4094 39.9157 176.7599 78 R 3.8436 8.4330 127.5524 58.3295 30.3378 177.3414 79 S 4.3506 8.1010 110.7530 58.9428 63.6100 174.0087 80 D 4.3929 7.8188 122.6041 54.7351 41.2360 175.9032 81 T 4.2172 8.4202 115.2073 62.7553 69.4439 174.5988 82 H 4.6795 8.5348 119.5750 55.8223 29.0079 175.0825 83 I 4.7885 7.0826 110.7458 60.2250 38.5091 175.4781 84 Q 4.5713 7.6189 123.4159 55.4678 30.1075 174.7673 85 F 5.2786 9.4618 122.2345 55.7082 43.4081 173.9401 86 Q 4.9816 9.2663 120.0749 54.3073 31.6437 174.6392 87 I 4.9964 8.4392 124.2938 59.7762 38.9148 175.0132 88 S 4.8180 8.6523 122.2591 55.5552 65.2570 172.0884 89 P 4.5252 0.0000 0.0000 62.6073 31.8685 175.6083 90 E 4.5218 8.5778 122.0987 55.4384 30.9951 174.2508 91 G 4.0278 8.3488 107.6937 45.8896 0.0000 175.5294 92 N 4.1308 8.4841 118.3961 52.9982 37.2610 174.6790 93 G 4.0320 8.6020 109.6287 46.9750 0.0000 173.0286 94 E 5.0416 7.6674 117.7340 54.4626 32.3146 175.7008 95 V 5.0506 9.0477 115.2130 59.8130 36.6290 174.4139 96 L 5.2785 8.8396 121.8975 53.2532 44.8481 176.0250 97 L 4.7624 8.6755 121.4175 53.1762 44.2290 174.8725 98 K 4.8315 8.9552 126.2869 54.3190 34.7201 174.9701 99 S 4.1258 8.9869 123.7619 57.8257 62.5657 174.6886 100 T 3.6740 8.2206 118.9563 64.8781 68.4176 175.5374 101 E 3.9874 7.5217 123.9194 58.1351 29.7344 177.0932 102 T 4.2886 7.6356 105.3646 60.4004 70.1050 174.7613 103 G 3.6037 8.1382 110.8276 46.5334 0.0000 172.9006 *107 Q 4.4890 7.5050 117.1787 55.8439 30.7775 173.7479 108 Y 5.0206 8.9840 120.7620 56.5969 40.0576 174.9770 109 L 4.6573 9.0427 126.1619 55.3350 43.7546 175.6485 110 R 5.0370 9.2772 125.3574 54.7605 33.7792 173.5110 111 I 4.9470 8.0675 127.0738 59.6967 38.7990 175.6570 112 N 4.5814 9.1680 125.4048 51.7813 39.3922 174.7621 113 P 4.1979 0.0000 0.0000 65.4700 31.4714 177.3436 114 D 4.4896 7.9894 115.3112 53.6573 39.7248 177.1016 115 G 4.2060 8.5050 110.2799 45.0413 0.0000 173.7020 116 T 4.4796 8.1128 110.4679 61.4575 70.4474 173.7515 117 V 5.0518 8.2265 122.4086 61.5422 34.4184 174.1891 118 D 4.7849 9.0321 125.7804 52.7669 42.9368 173.7444 119 G 4.6621 8.7186 104.5899 44.7980 0.0000 172.5626 *123 T 4.7406 8.1321 115.3703 62.1449 68.6647 174.5285 123A R 4.2870 8.7284 124.3595 56.6655 30.9593 176.4059 124 D 4.5726 8.1958 119.3005 53.3226 40.0691 176.5720 125 R 3.6722 8.5143 127.5628 58.0653 30.3071 177.0983 126 S 4.4239 7.9991 110.7940 58.5424 63.9854 173.9085 127 D 4.4180 7.9213 123.3599 54.5980 41.3031 176.9432 128 T 4.0222 8.3697 116.0421 63.8862 69.3249 174.6718 129 H 4.5880 9.0687 119.9203 55.8282 28.7895 175.9744 130 I 4.8038 7.0160 110.6440 60.0557 38.2123 175.3331 131 Q 4.6172 7.5504 121.6375 55.4641 30.1998 174.7171 132 F 5.3293 9.4482 122.4451 55.5071 43.5342 173.7656 133 Q 5.0962 9.0775 120.2030 54.6067 30.8423 174.3570 134 I 4.9369 8.4506 124.9086 60.1484 38.7048 175.3254 135 S 4.7625 8.8868 121.0342 55.6386 66.3687 171.7868 136 P 4.6691 0.0000 0.0000 62.7654 31.9437 175.9628 137 E 4.0737 8.6100 123.1686 56.5458 29.5078 176.3628 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 11 P 0.00 4.68 0.00 2.08 2.02 0.00 3.49 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 1.98 2.11 0.00 12 V 8.78 4.78 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 0.77 0.00 0.00 0.99 0.00 0.00 13 L 10.00 5.19 0.00 1.71 1.74 0.71 0.62 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 14 L 8.78 4.80 0.00 1.42 1.42 -0.15 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.73 4.83 0.00 1.63 1.57 0.00 1.23 0.00 0.00 1.06 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.02 0.73 7.81 16 S 8.88 3.81 0.00 3.47 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 17 T 8.27 3.70 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 1.19 0.00 0.00 18 E 8.19 3.96 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 2.14 2.28 0.00 19 T 7.65 4.26 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 20 G 7.83 3.74 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 0.00 21 Q 7.35 4.52 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.17 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 22 Y 9.09 5.04 0.00 3.11 2.95 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 23 L 9.13 4.75 0.00 1.70 1.78 0.49 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.26 4.93 0.00 1.93 2.08 0.00 3.15 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 25 I 7.88 4.84 1.79 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 1.38 0.91 0.93 0.00 0.00 26 N 9.08 4.57 0.00 2.86 2.66 0.00 0.00 6.57 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 27 P 0.00 4.18 0.00 2.00 2.10 0.00 3.53 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 1.96 2.03 0.00 28 D 7.94 4.47 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 29 G 8.50 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 8.23 4.50 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 1.26 0.00 0.00 31 V 8.25 5.01 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 0.96 0.00 0.00 1.02 0.00 0.00 32 D 9.07 4.78 0.00 2.98 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 33 G 8.79 4.57 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 0.00 0.00 0.00 34 T 8.95 4.86 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 8.61 4.72 0.00 1.88 1.99 0.00 3.27 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 36 D 8.08 4.61 0.00 2.80 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 37 R 8.37 3.64 0.00 1.79 1.94 0.00 2.85 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 1.57 1.58 0.00 38 S 7.91 4.38 0.00 4.02 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 39 D 8.27 4.43 0.00 2.81 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 40 T 8.41 3.88 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 1.13 0.00 0.00 41 H 8.53 4.41 0.00 3.37 3.46 0.00 5.80 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.07 4.60 1.95 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 1.49 1.24 1.02 0.00 0.00 43 Q 7.49 4.50 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 44 F 9.37 5.23 0.00 2.95 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 9.40 4.90 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 46 I 8.48 4.96 1.89 0.00 0.00 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 1.36 0.73 0.92 0.00 0.00 47 S 8.71 4.93 0.00 3.93 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 0.00 48 P 0.00 4.81 0.00 1.98 2.04 0.00 3.65 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 2.04 2.10 0.00 49 E 8.90 4.24 0.00 2.04 1.79 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 2.15 2.24 0.00 50 G 8.70 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 0.00 0.00 0.00 51 N 8.83 4.80 0.00 2.81 2.92 0.00 0.00 5.56 7.00 0.00 0.00 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 7.88 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 0.00 0.00 0.00 0.00 53 E 7.96 5.02 0.00 2.13 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 2.19 2.23 0.00 54 V 8.92 5.07 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 0.76 0.00 0.00 1.05 0.00 0.00 55 L 8.97 5.31 0.00 1.76 1.79 0.71 0.54 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 56 L 8.72 4.76 0.00 1.39 1.32 -0.15 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.91 4.88 0.00 1.77 1.59 0.00 1.28 0.00 0.00 1.25 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.02 0.54 7.81 58 S 9.02 3.91 0.00 3.58 3.65 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 59 T 8.44 3.82 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 1.14 0.00 0.00 60 E 8.09 4.19 0.00 1.82 1.88 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 2.18 2.14 0.00 61 T 7.64 4.31 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 1.21 0.00 0.00 62 G 8.05 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.51 4.38 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 64 Y 9.06 5.05 0.00 3.13 2.95 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 65 L 9.05 4.58 0.00 2.02 1.65 1.03 0.49 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 66 R 9.11 4.95 0.00 2.00 2.07 0.00 3.21 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 67 I 8.05 4.73 1.82 0.00 0.00 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 1.38 0.96 0.93 0.00 0.00 68 N 9.16 4.54 0.00 2.83 2.66 0.00 0.00 6.56 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 4.21 0.00 1.99 2.10 0.00 3.53 0.00 0.00 3.32 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 7.93 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 71 G 8.58 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 72 T 8.26 4.51 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 1.32 0.00 0.00 73 V 8.24 5.03 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 1.01 0.00 0.00 1.01 0.00 0.00 74 D 9.01 4.83 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 8.89 4.65 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 0.00 76 T 8.98 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 1.39 0.00 0.00 76A R 8.63 4.67 0.00 1.87 1.98 0.00 3.27 0.00 0.00 3.15 7.28 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 8.23 4.56 0.00 2.80 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 8.43 3.84 0.00 1.82 1.93 0.00 2.89 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 1.58 1.59 0.00 79 S 8.10 4.35 0.00 4.01 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 80 D 7.82 4.39 0.00 2.81 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 81 T 8.42 4.22 4.08 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 1.14 0.00 0.00 82 H 8.53 4.68 0.00 3.27 3.43 0.00 5.60 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 83 I 7.08 4.79 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 1.34 1.39 1.01 0.00 0.00 84 Q 7.62 4.57 0.00 1.93 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.83 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 85 F 9.46 5.28 0.00 2.97 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 9.27 4.98 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 87 I 8.44 5.00 1.89 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 1.36 0.56 0.92 0.00 0.00 88 S 8.65 4.82 0.00 3.93 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 89 P 0.00 4.53 0.00 1.97 2.05 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 90 E 8.58 4.52 0.00 1.86 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 2.17 2.24 0.00 91 G 8.35 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 0.00 0.00 0.00 92 N 8.48 4.13 0.00 2.88 2.88 0.00 0.00 6.93 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 93 G 8.60 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 0.00 0.00 0.00 94 E 7.67 5.04 0.00 1.98 1.84 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 2.22 2.25 0.00 95 V 9.05 5.05 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 0.79 0.00 0.00 1.03 0.00 0.00 96 L 8.84 5.28 0.00 1.74 1.72 0.71 0.85 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 97 L 8.68 4.76 0.00 1.34 1.30 -0.07 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.96 4.83 0.00 1.86 1.65 0.00 1.50 0.00 0.00 1.48 0.00 0.00 2.62 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.06 0.53 7.81 99 S 8.99 4.13 0.00 3.44 3.48 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 0.00 100 T 8.22 3.67 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 1.25 0.00 0.00 101 E 7.52 3.99 0.00 1.92 1.88 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 1.95 2.19 0.00 102 T 7.64 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 1.22 0.00 0.00 103 G 8.14 3.60 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 0.00 0.00 0.00 *107 Q 7.51 4.49 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 108 Y 8.98 5.02 0.00 3.12 2.95 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 0.00 109 L 9.04 4.66 0.00 1.96 1.55 1.02 0.42 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 0.00 110 R 9.28 5.04 0.00 1.99 2.08 0.00 3.17 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 111 I 8.07 4.95 1.81 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 1.39 0.92 0.93 0.00 0.00 112 N 9.17 4.58 0.00 2.84 2.67 0.00 0.00 6.57 7.60 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 0.00 113 P 0.00 4.20 0.00 2.01 2.10 0.00 3.57 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 114 D 7.99 4.49 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 8.50 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 0.00 0.00 0.00 0.00 116 T 8.11 4.48 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 1.26 0.00 0.00 117 V 8.23 5.05 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 0.99 0.00 0.00 1.00 0.00 0.00 118 D 9.03 4.78 0.00 2.95 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 0.00 119 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 *123 T 8.13 4.74 4.32 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 1.35 0.00 0.00 123A R 8.73 4.29 0.00 1.89 2.00 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 1.58 1.62 0.00 124 D 8.20 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 8.51 3.67 0.00 1.82 1.91 0.00 3.30 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.24 0.00 126 S 8.00 4.42 0.00 4.01 3.93 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 0.00 127 D 7.92 4.42 0.00 2.90 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 0.00 128 T 8.37 4.02 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 1.13 0.00 0.00 129 H 9.07 4.59 0.00 3.30 3.49 0.00 5.79 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 0.00 130 I 7.02 4.80 1.98 0.00 0.00 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 1.49 1.44 1.00 0.00 0.00 131 Q 7.55 4.62 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.86 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 132 F 9.45 5.33 0.00 2.97 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 0.00 133 Q 9.08 5.10 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 134 I 8.45 4.94 1.89 0.00 0.00 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 1.37 0.60 0.92 0.00 0.00 135 S 8.89 4.76 0.00 3.90 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 4.67 0.00 1.97 2.06 0.00 3.70 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 2.05 2.12 0.00 137 E 8.61 4.07 0.00 2.05 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 2.27 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.