NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 5.0046 8.1648 122.9829 52.2606 19.0626 176.0541 2 T 4.0840 7.9134 118.0041 63.3328 70.1667 171.6277 3 K 5.3355 8.9957 124.0817 54.8849 37.2762 174.6132 4 A 5.4393 9.1151 123.9565 50.8192 23.4612 175.0555 5 V 4.9932 8.7808 117.2091 60.9054 35.3899 173.0506 6 C 4.9513 9.2527 122.4837 57.7883 34.8086 172.6457 7 V 4.6579 8.4332 125.8816 61.3918 33.0788 174.1190 8 L 4.8993 9.1004 129.8216 53.8356 42.9723 176.3612 9 K 4.8514 9.1788 122.8719 55.4082 37.0706 176.0758 10 G 4.1911 8.3729 107.5162 46.7459 0.0000 173.1250 11 D 4.7690 8.8576 121.4246 53.0732 40.5282 176.5929 12 G 4.3890 7.5810 109.9544 44.4757 0.0000 171.6081 13 P 4.3785 0.0000 0.0000 63.7062 31.9945 176.3642 14 V 4.0525 7.5801 120.3847 63.2162 31.9258 175.0784 15 Q 4.7985 8.7821 126.6935 54.4317 33.0420 174.6053 16 G 4.4240 8.5292 108.3586 45.8112 0.0000 171.8815 17 I 5.1070 8.1489 120.3967 59.3318 40.7920 175.0072 18 I 4.5769 8.9643 127.2975 59.4970 40.5540 174.2140 19 N 4.9225 8.5298 124.3795 51.3730 40.9471 173.9297 20 F 5.3889 8.9940 120.7588 55.7985 42.8194 173.9922 21 E 5.2049 9.5885 123.1403 54.9352 33.7914 173.6565 22 Q 4.8013 9.2225 127.3175 54.3747 31.2967 175.7267 23 K 4.0371 9.0762 126.9280 58.7961 32.5842 177.4625 24 E 4.8540 7.7833 116.4717 53.8271 32.9078 176.8433 25 S 4.1635 8.8138 115.6316 60.8855 62.8519 174.7855 26 N 4.9726 8.0419 116.8123 52.2478 37.5660 174.4127 27 G 3.9917 8.0068 108.1743 44.2379 0.0000 172.3517 28 P 4.6383 0.0000 0.0000 62.8128 32.5386 175.5910 29 V 4.5897 8.7296 121.1566 61.2362 33.6798 174.3634 30 K 4.8915 9.2545 130.2690 55.7150 33.8150 175.2550 31 V 4.8703 9.0841 128.0717 60.8036 34.1131 174.1708 32 W 5.3524 8.1526 123.8221 54.8695 31.7002 175.3423 33 G 3.8572 7.5683 107.3661 46.3439 0.0000 170.6979 34 S 5.0237 7.6942 114.4599 56.7437 66.5497 174.2353 35 I 4.8115 8.8988 127.7784 59.3714 39.8643 175.0405 36 K 4.7401 9.1253 126.3363 55.7611 35.7350 177.1900 37 G 3.7692 8.8772 107.2845 45.5662 0.0000 173.1384 38 L 4.5138 7.6768 120.0013 52.6122 43.1398 176.5330 39 T 4.2567 8.2711 112.5096 61.3523 69.2559 173.6717 40 E 4.1793 8.5783 124.6412 57.3590 30.8578 175.3415 41 G 3.8664 8.1702 110.3589 44.2526 0.0000 172.0330 42 L 5.0974 8.2458 120.4007 53.8224 43.7499 176.2145 43 H 4.9962 9.0548 119.1839 53.7464 32.8830 173.4292 44 G 4.0752 8.9858 111.1017 46.6820 0.0000 172.3907 45 F 5.5605 9.0120 124.2936 57.0058 42.5240 173.0349 46 H 5.0831 9.0140 122.6076 53.9728 33.8139 172.8159 47 V 4.3248 8.4912 121.5264 63.0195 32.4663 175.0169 48 H 5.2193 9.5182 125.5317 54.1631 31.0246 175.5951 49 E 3.7252 9.0564 122.4564 58.9843 29.7692 177.1159 50 F 4.9945 8.4508 118.1848 54.9466 41.7200 176.6351 51 G 4.2801 8.3969 110.8294 44.7498 0.0000 173.8049 52 D 4.7863 8.0409 118.3358 52.4605 43.0485 174.4030 53 N 5.1083 8.5529 123.7454 53.3298 39.6899 175.7572 54 T 3.8583 8.4448 108.7770 64.1915 68.7441 174.5208 55 A 4.6845 8.0210 125.0865 51.4071 19.7917 177.8513 56 G 3.8260 8.1091 110.5099 47.8387 0.0000 175.4016 57 C 4.4326 8.6002 115.5717 59.7999 38.5242 175.7666 58 T 3.8584 7.8669 117.8397 66.3023 67.9171 176.0110 59 S 4.4354 7.6689 113.0293 59.8559 63.4992 175.6446 60 A 4.5003 7.4392 126.3149 54.3748 18.2561 178.5618 61 G 3.7963 7.9312 104.6034 44.6667 0.0000 170.6339 62 P 4.7475 0.0000 0.0000 61.7929 34.1148 175.0943 63 H 4.4188 8.4624 116.3063 55.9781 29.4747 175.5945 64 F 4.3078 9.2006 125.6075 58.0772 40.3442 175.2522 65 N 4.9750 7.8043 125.3865 52.0083 39.1275 172.8924 66 P 4.2450 0.0000 0.0000 64.3790 32.2866 177.7865 67 L 4.3356 7.5473 117.5213 53.6849 42.4015 176.4880 68 S 3.5937 7.4594 113.5691 59.9048 60.3141 170.8345 69 R 4.6861 8.8281 118.5281 53.8808 33.7090 176.4095 70 K 4.3822 8.9949 118.9875 56.0980 33.6182 176.3609 71 H 4.2422 8.5969 122.7519 56.5387 30.4695 174.6649 72 G 4.3116 7.5584 110.4218 44.3299 0.0000 171.9434 73 G 4.0413 9.1438 109.6523 43.9732 0.0000 173.2303 74 P 4.3935 0.0000 0.0000 65.0145 31.3014 177.3930 75 K 4.4142 7.8916 115.7300 56.0612 32.4744 175.8122 76 D 4.7007 7.6477 119.9771 53.5180 41.5705 176.8526 77 E 3.9616 8.7388 122.5095 58.3952 30.1211 176.4738 78 E 4.3840 7.8598 120.3510 54.9281 29.8064 174.5260 79 R 4.9994 7.6327 119.9094 56.3526 31.9195 174.2366 80 H 4.4211 8.7546 116.7621 55.3999 29.4785 176.8229 81 V 3.4304 8.5169 123.2514 66.4662 31.2175 177.3349 82 G 3.9128 8.1937 104.1255 47.1133 0.0000 173.1065 83 D 5.0691 8.1690 121.3310 53.8862 39.9548 175.8050 84 L 4.4894 8.5153 121.4670 53.2359 42.5459 178.1726 85 G 4.1068 8.5356 107.8683 45.9959 0.0000 173.6079 86 N 5.6115 8.5940 120.7392 51.3931 41.6476 174.0228 87 V 4.0799 8.6400 115.9522 60.5610 33.7281 174.7944 88 T 4.9893 8.2602 117.2212 60.3690 69.8608 172.4817 89 A 4.9408 9.1312 131.5646 50.7483 21.3031 177.1295 90 D 4.9142 8.7486 122.1491 52.0944 41.7106 177.0234 91 K 4.0621 8.4994 117.0107 60.0022 33.0423 177.0502 92 D 4.5826 8.4755 119.1239 53.7849 40.7790 176.6626 93 A 4.4316 7.8696 119.7331 52.2260 16.9061 177.1057 94 V 4.8234 7.4803 117.7717 62.4934 33.8462 174.4960 95 A 5.0585 8.9895 129.7353 49.4952 21.1437 174.9542 96 D 4.9555 8.6719 123.2178 53.7800 42.1120 176.2800 97 V 4.1161 9.0635 125.4433 61.4651 33.3941 174.9728 98 S 4.9087 8.5184 122.9528 57.6101 64.2253 172.7561 99 I 4.8214 9.4324 128.2781 59.3152 41.3758 174.2420 100 E 5.1669 8.8668 125.3119 54.4897 32.0783 174.3211 101 D 5.0745 9.4356 126.3276 52.8547 44.1513 176.4198 102 S 4.4553 8.9602 119.7429 59.3649 64.0103 175.3221 103 V 4.1158 8.0420 118.9603 64.3145 32.2393 176.3480 104 I 4.0555 7.7186 111.6072 61.1240 37.9553 174.7871 105 S 4.6748 8.2872 114.6461 57.3430 65.4676 173.4988 106 L 4.5468 8.9245 123.1555 54.4606 41.3665 176.4443 107 S 4.5241 7.9998 114.2687 58.4000 67.4761 175.4470 108 G 3.8740 8.4722 109.3585 45.3392 0.0000 173.1079 109 D 4.4662 8.6828 117.3869 55.0001 40.3710 175.9692 110 H 4.5577 8.1236 118.5803 54.7461 28.2745 175.5226 *112 I 3.7700 8.0575 117.8183 59.6810 39.2081 175.7565 113 I 3.5901 7.3213 122.7826 62.9214 37.6279 176.2692 114 G 3.8349 9.4524 113.5249 45.1605 0.0000 172.6808 115 R 5.0982 7.2969 118.9307 54.5356 34.0680 174.3153 116 T 5.0087 7.9118 115.5569 62.1494 71.5478 173.4725 117 L 4.8644 8.6118 128.1106 53.7738 44.2298 175.2385 118 V 4.9979 8.8313 125.9211 60.9971 34.9477 174.1768 119 V 5.0494 8.7180 127.2932 60.5699 33.5382 174.8298 120 H 5.2799 8.7673 121.3209 53.9901 30.7402 174.6087 121 E 4.2241 9.1049 121.6023 58.8251 30.3050 176.2423 122 K 4.8286 8.3488 117.0342 53.8321 37.1275 175.8049 123 A 4.4845 8.3568 123.3683 52.1896 18.8504 176.3442 124 D 4.7891 9.3996 122.9220 53.9406 41.8894 176.0884 125 D 4.5350 9.3400 125.4516 53.4563 39.6429 176.9993 126 L 3.5114 10.1455 119.3670 55.9335 39.6908 175.7580 127 G 4.3960 8.6255 105.1655 45.9773 0.0000 174.6774 128 K 4.3982 7.8600 116.3297 55.7546 32.3151 176.9721 129 G 3.8939 8.1514 109.1817 45.0088 0.0000 174.3614 130 G 4.0077 8.2441 108.9140 43.8548 0.0000 172.9063 131 N 4.9318 7.3484 113.4715 51.1713 40.7456 174.5590 132 E 4.0221 8.8084 120.1712 59.2148 30.2821 178.3490 133 E 3.9066 8.4154 118.8924 59.5633 29.4865 178.5027 134 S 4.1562 8.2623 113.1315 61.6296 62.3687 175.6444 135 T 4.2924 7.9568 109.8766 62.4846 68.4662 175.4177 136 K 4.3023 7.7009 119.8443 57.8474 34.3138 176.6888 137 T 4.0946 8.0059 104.9087 59.8784 70.2730 174.9842 138 G 3.8181 8.1880 110.0282 45.1033 0.0000 173.4186 139 N 4.3103 8.1656 115.4234 54.2463 36.6832 175.7008 140 A 4.2497 7.4031 119.7420 52.2012 19.2669 179.6015 141 G 4.0369 7.3490 104.3182 44.1035 0.0000 173.5130 142 S 4.4249 7.9863 112.6643 58.4818 64.5936 173.7848 143 R 4.3384 8.3952 120.1849 55.7663 29.5934 176.4419 144 L 4.4045 9.3557 125.0951 56.9778 43.3633 176.5477 145 A 4.7222 7.5274 117.9190 51.6337 22.7737 173.7853 146 C 5.6664 8.3870 112.7578 56.3407 46.7880 172.8970 147 G 4.5286 7.9267 104.0596 46.0853 0.0000 172.6292 148 V 4.3964 8.2987 121.3578 62.3780 32.8381 175.4876 149 I 4.2194 8.8312 129.3497 60.7269 38.1006 175.2955 150 G 4.4354 8.8417 114.1070 43.7880 0.0000 171.7885 151 I 4.3404 8.2972 120.9755 61.1184 37.5692 175.6505 152 A 4.8136 8.5775 128.0205 49.6705 22.2926 176.0982 153 Q 4.0777 8.4989 118.6134 56.4718 29.2279 175.7937 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 8.16 5.00 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 2 T 7.91 4.08 4.27 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 1.22 0.00 0.00 3 K 9.00 5.34 0.00 1.72 1.73 0.00 1.78 0.00 0.00 1.99 0.00 0.00 3.35 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.49 7.81 4 A 9.12 5.44 1.14 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 5 V 8.78 4.99 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 0.60 0.00 0.00 0.92 0.00 0.00 6 C 9.25 4.95 0.00 3.15 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 7 V 8.43 4.66 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 9.10 4.90 0.00 1.62 1.60 1.04 0.76 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 9 K 9.18 4.85 0.00 1.62 1.63 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.37 7.81 10 G 8.37 4.19 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 0.00 11 D 8.86 4.77 0.00 2.79 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 12 G 7.58 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 0.00 0.00 0.00 0.00 13 P 0.00 4.38 0.00 2.18 2.17 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.94 0.00 14 V 7.58 4.05 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 0.77 0.00 0.00 0.93 0.00 0.00 15 Q 8.78 4.80 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.37 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 16 G 8.53 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.15 5.11 1.82 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 1.20 1.47 0.82 0.00 0.00 18 I 8.96 4.58 1.84 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 1.24 1.32 0.51 0.00 0.00 19 N 8.53 4.92 0.00 1.44 1.42 0.00 0.00 6.39 8.67 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 20 F 8.99 5.39 0.00 2.90 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 21 E 9.59 5.20 0.00 2.48 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 0.00 2.32 2.39 0.00 22 Q 9.22 4.80 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.67 0.00 23 K 9.08 4.04 0.00 1.81 1.88 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.50 7.81 24 E 7.78 4.85 0.00 1.99 1.80 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 2.29 2.26 0.00 25 S 8.81 4.16 0.00 3.98 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 26 N 8.04 4.97 0.00 2.78 2.87 0.00 0.00 5.96 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 27 G 8.01 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 0.00 0.00 0.00 28 P 0.00 4.64 0.00 2.13 2.10 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 29 V 8.73 4.59 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 1.23 0.00 0.00 1.07 0.00 0.00 30 K 9.25 4.89 0.00 1.93 1.98 0.00 1.45 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.67 1.41 7.81 31 V 9.08 4.87 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 0.51 0.00 0.00 1.04 0.00 0.00 32 W 8.15 5.35 0.00 3.50 3.19 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 33 G 7.57 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 0.00 0.00 0.00 34 S 7.69 5.02 0.00 3.81 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 35 I 8.90 4.81 1.78 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.47 0.87 0.00 0.00 36 K 9.13 4.74 0.00 1.78 1.89 0.00 1.32 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.34 7.81 37 G 8.88 3.77 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 38 L 7.68 4.51 0.00 1.66 1.44 0.81 0.04 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 39 T 8.27 4.26 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 1.24 0.00 0.00 40 E 8.58 4.18 0.00 1.95 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 2.29 2.46 0.00 41 G 8.17 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 42 L 8.25 5.10 0.00 1.50 1.57 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.05 5.00 0.00 3.02 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.99 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 0.00 0.00 0.00 0.00 45 F 9.01 5.56 0.00 2.94 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 46 H 9.01 5.08 0.00 3.05 3.08 0.00 5.86 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.49 4.32 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 0.85 0.00 0.00 0.89 0.00 0.00 48 H 9.52 5.22 0.00 3.06 3.40 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.06 3.73 0.00 1.67 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 1.47 2.13 0.00 50 F 8.45 4.99 0.00 3.08 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 51 G 8.40 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 0.00 0.00 0.00 52 D 8.04 4.79 0.00 2.61 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 53 N 8.55 5.11 0.00 2.79 2.70 0.00 0.00 6.90 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 54 T 8.44 3.86 4.22 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 0.00 0.00 0.00 1.23 0.00 0.00 55 A 8.02 4.68 1.25 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 56 G 8.11 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 57 C 8.60 4.43 0.00 2.96 3.10 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 58 T 7.87 3.86 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 1.23 0.00 0.00 59 S 7.67 4.44 0.00 4.21 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 60 A 7.44 4.50 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 61 G 7.93 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 62 P 0.00 4.75 0.00 2.04 2.19 0.00 3.58 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 63 H 8.46 4.42 0.00 2.85 3.21 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.20 4.31 0.00 2.92 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 65 N 7.80 4.98 0.00 2.58 2.42 0.00 0.00 6.95 7.71 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 66 P 0.00 4.24 0.00 2.01 1.83 0.00 3.04 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.06 0.00 67 L 7.55 4.34 0.00 1.54 1.64 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.46 3.59 0.00 3.98 3.84 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 69 R 8.83 4.69 0.00 1.78 1.94 0.00 3.46 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 70 K 8.99 4.38 0.00 1.64 1.69 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.37 7.81 71 H 8.60 4.24 0.00 3.17 3.25 0.00 5.93 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 72 G 7.56 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 0.00 0.00 0.00 0.00 73 G 9.14 4.04 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 0.00 0.00 0.00 74 P 0.00 4.39 0.00 2.23 2.36 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 75 K 7.89 4.41 0.00 1.77 1.88 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.40 7.81 76 D 7.65 4.70 0.00 2.80 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 77 E 8.74 3.96 0.00 1.95 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 2.31 2.29 0.00 78 E 7.86 4.38 0.00 2.01 1.81 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 2.27 2.29 0.00 79 R 7.63 5.00 0.00 1.96 1.76 0.00 2.87 0.00 0.00 3.88 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 80 H 8.75 4.42 0.00 3.52 3.41 0.00 5.67 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.52 3.43 1.56 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 0.82 0.00 0.00 0.49 0.00 0.00 82 G 8.19 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 83 D 8.17 5.07 0.00 2.73 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 84 L 8.52 4.49 0.00 1.75 1.88 0.90 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 85 G 8.54 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 86 N 8.59 5.61 0.00 2.59 2.70 0.00 0.00 6.72 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 87 V 8.64 4.08 1.80 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 -0.37 0.00 0.00 0.80 0.00 0.00 88 T 8.26 4.99 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 89 A 9.13 4.94 1.29 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 0.00 0.00 0.00 90 D 8.75 4.91 0.00 2.89 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 91 K 8.50 4.06 0.00 1.88 1.99 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.46 7.81 92 D 8.48 4.58 0.00 2.90 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 93 A 7.87 4.43 1.41 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 0.00 0.00 0.00 94 V 7.48 4.82 2.22 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 1.00 0.00 0.00 0.96 0.00 0.00 95 A 8.99 5.06 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 96 D 8.67 4.96 0.00 2.56 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 97 V 9.06 4.12 2.14 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 0.82 0.00 0.00 0.59 0.00 0.00 98 S 8.52 4.91 0.00 3.91 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 99 I 9.43 4.82 2.09 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.64 1.02 0.00 0.00 100 E 8.87 5.17 0.00 1.96 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 2.21 2.31 0.00 101 D 9.44 5.07 0.00 2.85 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 0.00 102 S 8.96 4.46 0.00 3.92 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 0.00 103 V 8.04 4.12 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 0.88 0.00 0.00 0.96 0.00 0.00 104 I 7.72 4.06 1.94 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.82 1.04 0.00 0.00 105 S 8.29 4.67 0.00 3.86 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 0.00 106 L 8.92 4.55 0.00 1.78 1.65 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.00 4.52 0.00 3.84 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 0.00 108 G 8.47 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 0.00 109 D 8.68 4.47 0.00 2.84 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 0.00 110 H 8.12 4.56 0.00 3.24 3.44 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *112 I 8.06 3.77 1.59 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.47 1.00 0.00 0.00 113 I 7.32 3.59 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.38 0.88 0.00 0.00 114 G 9.45 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 0.00 115 R 7.30 5.10 0.00 1.49 1.78 0.00 2.21 0.00 0.00 2.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.28 0.00 116 T 7.91 5.01 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 1.24 0.00 0.00 117 L 8.61 4.86 0.00 1.79 1.53 0.46 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.83 5.00 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 0.80 0.00 0.00 0.72 0.00 0.00 119 V 8.72 5.05 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 0.84 0.00 0.00 1.02 0.00 0.00 120 H 8.77 5.28 0.00 3.35 3.53 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.10 4.22 0.00 2.12 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 0.00 2.37 2.33 0.00 122 K 8.35 4.83 0.00 1.85 1.67 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.38 7.81 123 A 8.36 4.48 1.25 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 0.00 124 D 9.40 4.79 0.00 2.69 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 0.00 125 D 9.34 4.54 0.00 2.91 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 0.00 126 L 10.15 3.51 0.00 1.87 1.86 0.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.63 4.40 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 0.00 128 K 7.86 4.40 0.00 1.88 1.83 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.51 7.81 129 G 8.15 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 0.00 0.00 0.00 130 G 8.24 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 0.00 131 N 7.35 4.93 0.00 2.77 2.75 0.00 0.00 6.27 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 0.00 132 E 8.81 4.02 0.00 2.02 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 2.37 2.30 0.00 133 E 8.42 3.91 0.00 2.11 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 0.00 2.46 2.43 0.00 134 S 8.26 4.16 0.00 4.11 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 0.00 135 T 7.96 4.29 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 1.24 0.00 0.00 136 K 7.70 4.30 0.00 1.82 1.81 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.44 7.81 137 T 8.01 4.09 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 0.00 138 G 8.19 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 0.00 139 N 8.17 4.31 0.00 3.06 2.91 0.00 0.00 6.88 7.12 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 0.00 140 A 7.40 4.25 1.30 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 0.00 0.00 141 G 7.35 4.04 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 0.00 0.00 0.00 142 S 7.99 4.42 0.00 3.96 4.04 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 0.00 143 R 8.40 4.34 0.00 1.69 1.83 0.00 3.19 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 144 L 9.36 4.40 0.00 1.68 1.69 0.92 0.67 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 0.00 145 A 7.53 4.72 1.18 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 0.00 0.00 0.00 146 C 8.39 5.67 0.00 3.02 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 0.00 147 G 7.93 4.53 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 0.00 148 V 8.30 4.40 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 0.82 0.00 0.00 0.98 0.00 0.00 149 I 8.83 4.22 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 1.07 0.41 0.44 0.00 0.00 150 G 8.84 4.44 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 0.00 151 I 8.30 4.34 1.86 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 0.54 0.91 0.00 0.00 152 A 8.58 4.81 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 0.00 153 Q 8.50 4.08 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.