NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3109 8.1593 117.3833 63.7806 70.0397 173.7939 3 T 4.3284 7.9840 116.6069 59.1949 72.1791 173.4146 4 P 3.9529 0.0000 0.0000 65.8511 31.7479 180.2277 5 S 4.1400 7.9164 111.4123 61.4197 62.4087 175.6164 6 M 4.0159 7.8979 120.7221 58.6682 31.9009 178.1065 7 E 3.9995 8.3711 118.8533 59.4247 29.6209 179.0168 8 D 4.4005 8.0856 119.0820 57.4706 40.7428 178.5319 9 Y 3.8388 8.1080 117.2713 61.0752 37.9517 178.3665 10 I 3.7295 7.8493 120.7429 64.3475 37.3353 178.0273 11 E 3.9878 8.3882 120.1341 59.5018 29.4646 178.9749 12 Q 4.0218 8.0595 117.9012 59.0297 28.7949 178.7557 13 I 3.7389 8.0998 121.1068 64.4847 37.1549 177.7892 14 Y 4.0003 8.1816 120.3104 61.1311 38.5603 178.2146 15 M 4.1370 8.1571 119.1673 58.2873 32.0129 178.8159 16 L 3.9032 7.9698 119.2779 57.7806 41.7902 179.5607 17 I 3.7014 7.6958 119.7546 64.4381 36.7781 178.4178 18 E 3.8641 7.6776 118.4132 59.0549 29.2928 178.9225 19 E 4.0907 8.1828 118.0158 58.7690 29.9047 178.4184 20 K 4.1664 8.1983 116.2624 55.9029 33.2406 177.6408 21 G 4.0166 8.6592 106.2433 45.0059 0.0000 172.2691 22 Y 4.8326 6.3225 114.9861 56.1888 41.4738 173.7887 23 A 4.6931 8.6300 120.6486 50.4340 21.8440 175.4268 24 R 4.6167 8.6386 121.0464 55.5524 32.2468 178.2574 25 V 3.6628 8.6502 121.4207 66.3432 31.5470 178.6993 26 S 4.1927 8.0676 113.5301 61.5507 62.9791 176.0942 27 D 4.4046 8.0962 122.0394 57.0192 40.6262 178.6405 28 I 3.7069 7.8845 120.3360 64.1681 37.1475 178.1753 29 A 3.9820 8.0984 121.6754 55.1387 18.1162 179.3498 30 E 3.8349 8.1835 117.4437 59.4553 29.5615 178.8731 31 A 4.0113 7.8860 119.4466 54.4464 18.5159 178.5801 32 L 4.2804 7.7015 114.0347 53.1813 43.1235 176.1456 33 A 3.7544 7.5911 120.8702 53.4669 16.3777 176.6209 34 V 4.5957 7.6992 112.3777 59.5327 36.5102 175.9036 35 H 4.4310 8.5481 120.8684 55.1212 30.5139 174.4001 36 P 4.3583 0.0000 0.0000 66.0573 30.7789 178.9265 37 S 4.1871 8.3430 113.7304 61.4875 63.0045 176.4344 38 S 4.1435 8.0793 118.4070 61.2244 62.5307 176.8614 39 V 3.7672 7.8404 120.2902 66.5274 31.3347 177.9218 40 T 3.7747 8.2620 115.8272 66.5046 67.9053 176.5050 41 K 3.8937 8.1288 121.4629 59.7187 32.2624 178.6584 42 M 3.7810 7.8063 118.5433 58.4477 31.9622 178.3637 43 V 3.4467 7.9399 118.8475 65.8747 31.5219 178.0919 44 Q 3.9663 7.7389 117.8031 58.5684 28.5189 178.4396 45 K 3.9652 7.6209 120.5297 59.4003 32.1686 178.9959 46 L 4.1889 8.0638 119.4730 57.6420 41.6236 178.9233 47 D 4.9155 8.2033 119.6403 56.7905 40.9712 178.2138 48 K 4.0240 8.0677 119.1682 59.3681 32.2638 177.5688 49 D 4.6574 7.9760 116.2515 53.4891 40.8960 176.0068 50 E 3.7988 7.7297 117.2995 57.8193 27.6083 175.2441 51 Y 4.3499 8.1806 118.2878 59.5718 38.9212 175.0936 52 L 4.8283 7.4475 118.2957 55.1522 44.1966 173.6794 53 I 4.9160 8.7561 120.1121 59.5523 39.9275 174.8663 54 Y 4.7158 9.3698 129.8905 56.3671 38.2273 175.6797 *59 G 4.0043 8.4236 118.6038 45.3853 0.0000 173.0865 60 L 4.6674 8.4160 126.1605 53.3169 42.5340 175.5212 61 V 4.4911 8.2852 124.5055 60.8825 34.2514 174.7169 62 L 4.8993 8.6981 127.9972 54.7082 42.7647 177.0454 63 T 4.4247 8.6202 113.5397 60.2987 70.7085 175.8393 64 S 4.1314 8.6014 116.0562 61.6065 62.6274 176.4146 65 K 4.0601 8.0684 122.8076 59.2314 31.9604 178.9559 66 G 3.8744 8.0581 105.6448 47.7046 0.0000 175.9729 67 K 4.2612 8.5925 121.2525 59.0556 32.2122 179.3332 68 K 3.9078 8.2193 119.8986 59.7220 32.1053 179.0084 69 I 3.8899 7.8936 120.1597 64.1335 37.0457 178.5581 70 G 3.4818 8.2735 106.7951 47.7028 0.0000 175.4714 71 K 3.2607 7.5242 122.3810 58.9457 32.1239 178.9800 72 R 4.0500 7.7654 117.8283 59.4148 30.0361 179.1234 73 L 4.1190 8.2753 119.0556 57.7115 41.5484 179.7633 74 V 3.6463 7.8947 118.3853 65.9187 31.3735 177.3870 75 Y 4.1430 8.1734 119.3841 60.7785 38.6479 178.1297 76 R 3.6137 8.2962 119.5463 59.5164 30.1807 177.8546 77 H 3.9089 8.2438 117.8558 59.4371 29.9385 177.0337 78 E 4.0230 8.3412 120.3889 59.2449 29.1757 179.1742 79 L 3.8352 7.8909 120.5482 58.2066 42.1636 179.1110 80 L 4.0704 7.7655 118.8902 57.7158 41.4207 179.4102 81 E 3.9499 8.2152 118.6039 59.5306 29.3547 179.3261 82 Q 3.9959 8.1309 118.0656 58.8243 28.8819 178.6950 83 F 4.3166 8.5154 121.7869 61.5305 39.5079 177.2357 84 L 3.4004 7.8097 118.4744 57.3680 41.3539 179.5157 85 R 3.7800 8.0683 118.7801 59.5202 29.8420 178.5619 86 I 3.6427 7.7097 118.7930 64.1391 37.1985 177.6082 87 I 3.9013 7.0050 110.2813 61.0057 37.6295 176.4729 88 G 3.8322 7.4906 108.7351 45.4406 0.0000 174.0292 89 V 3.5916 7.2501 119.3293 61.8508 32.1879 175.5085 90 D 4.2988 8.6783 125.9211 54.6411 41.5460 176.3678 91 E 3.9093 9.1578 127.1591 59.7540 29.2129 178.7397 92 E 4.0525 8.4113 115.5696 58.4728 29.9323 178.0647 93 K 4.3685 8.1175 118.3408 56.8285 32.6820 178.5409 94 I 3.6368 7.3932 121.3185 64.4570 37.0056 177.3298 95 Y 4.0215 8.0601 119.7019 61.0219 38.4219 177.8815 96 N 4.2587 8.2533 116.6873 56.3531 38.6816 177.0686 97 D 4.3002 7.8821 120.2001 57.2584 40.9377 178.9549 98 V 3.4502 7.7466 118.7539 66.0470 31.2912 177.8414 99 E 4.1155 7.2489 118.6973 58.5069 29.2298 179.3901 100 G 3.7343 7.4716 105.0775 47.5351 0.0000 175.6847 101 I 4.0108 7.8078 115.7720 62.8068 37.4460 177.6570 102 E 3.6930 8.0634 119.1593 59.5064 29.1960 178.6566 103 H 4.4434 7.7658 114.2027 57.3475 29.1704 175.4146 104 H 4.8110 8.0642 115.4399 55.1294 28.8453 173.8907 105 L 4.6067 7.3575 119.8722 52.6346 43.6429 177.2514 106 S 4.2773 8.1973 118.0521 57.7586 65.1990 175.4247 107 W 3.9694 8.5096 122.1969 59.5951 28.7492 178.2858 108 N 4.3609 8.2629 116.8619 56.8969 38.4125 176.9220 109 S 4.0760 7.8195 116.5260 61.5704 62.8989 176.7108 110 I 3.5904 7.6760 122.4831 64.4662 36.8655 178.1759 111 D 4.5035 8.5531 119.9778 57.6561 40.6875 179.2118 112 R 3.9676 8.0206 118.4640 59.2252 30.0272 179.2144 113 I 3.6742 8.0494 120.0145 63.8326 36.9460 178.6959 114 G 3.6830 8.1130 106.9145 48.0027 0.0000 175.5580 115 D 4.4342 8.1109 121.5693 56.8341 40.9188 178.6219 116 L 3.9503 7.8777 120.9942 58.1398 42.0803 179.2423 117 V 3.8693 8.0672 118.2367 66.0823 31.5188 177.7319 118 Q 4.0006 8.2068 119.3643 59.2543 28.6699 177.2585 119 Y 4.0591 8.1385 119.8655 61.2343 39.1964 178.3071 120 F 4.2452 8.1469 117.7582 60.3599 38.8167 177.7092 121 E 4.2149 8.4281 117.9236 58.8020 29.3365 178.4362 122 E 4.4668 8.0679 116.2703 57.0052 30.3099 176.3242 123 D 4.3715 7.5606 118.9625 51.8105 42.9365 174.7640 124 D 4.3646 8.8840 127.1606 57.2494 41.0258 177.7778 125 A 4.0423 8.4315 121.4518 55.1860 18.2780 179.7945 126 R 3.9753 8.2121 116.7627 59.3321 30.1137 179.3905 127 K 3.9985 8.0582 117.9021 59.3476 32.1012 179.3525 128 K 3.9924 8.0924 118.7834 59.6636 31.8603 179.1663 129 D 4.4152 8.2284 119.1824 57.1204 40.5708 178.6455 130 L 4.0231 8.0576 120.9878 58.2084 41.9356 179.2710 131 K 4.0246 7.9642 117.0982 59.3287 32.2986 179.2764 132 S 4.2824 7.9922 115.8445 61.6209 62.7407 176.6991 133 I 3.7787 7.6066 122.7036 64.4272 36.6173 178.4892 134 Q 4.0574 7.7388 117.6932 58.4159 28.5534 178.3107 135 K 4.2119 7.6265 117.6804 57.6232 32.3695 177.0269 136 K 4.1217 7.8297 123.4125 56.7238 31.9588 176.5268 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 2 T 8.16 4.31 4.29 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 1.23 0.00 0.00 3 T 7.98 4.33 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 1.20 0.00 0.00 4 P 0.00 3.95 0.00 2.06 1.89 0.00 3.55 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 2.06 2.04 0.00 5 S 7.92 4.14 0.00 3.90 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 6 M 7.90 4.02 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 7 E 8.37 4.00 0.00 2.24 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 2.33 2.66 0.00 8 D 8.09 4.40 0.00 2.98 2.66 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 9 Y 8.11 3.84 0.00 3.18 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.85 3.73 1.84 0.00 0.00 0.35 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 0.96 0.92 0.00 0.00 11 E 8.39 3.99 0.00 2.13 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 2.34 2.39 0.00 12 Q 8.06 4.02 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 13 I 8.10 3.74 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.03 0.99 0.00 0.00 14 Y 8.18 4.00 0.00 3.25 3.17 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 15 M 8.16 4.14 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.71 0.00 16 L 7.97 3.90 0.00 1.84 1.79 0.92 0.81 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 17 I 7.70 3.70 1.83 0.00 0.00 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 1.52 0.76 0.81 0.00 0.00 18 E 7.68 3.86 0.00 1.99 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 1.90 2.17 0.00 19 E 8.18 4.09 0.00 1.91 1.92 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 2.29 2.35 0.00 20 K 8.20 4.17 0.00 1.15 1.13 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.22 1.24 7.81 21 G 8.66 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 22 Y 6.32 4.83 0.00 2.96 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 A 8.63 4.69 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 24 R 8.64 4.62 0.00 1.89 1.93 0.00 3.19 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.92 0.00 25 V 8.65 3.66 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 1.15 0.00 0.00 1.07 0.00 0.00 26 S 8.07 4.19 0.00 4.11 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 27 D 8.10 4.40 0.00 2.94 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 28 I 7.88 3.71 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.76 0.89 0.00 0.00 29 A 8.10 3.98 1.42 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 30 E 8.18 3.83 0.00 2.07 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 2.29 2.32 0.00 31 A 7.89 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.70 4.28 0.00 1.46 1.53 -0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.59 3.75 1.31 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 34 V 7.70 4.60 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 0.76 0.00 0.00 0.97 0.00 0.00 35 H 8.55 4.43 0.00 3.18 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.36 0.00 2.30 2.29 0.00 3.25 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.91 0.00 37 S 8.34 4.19 0.00 4.12 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 0.00 38 S 8.08 4.14 0.00 4.18 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.84 3.77 2.33 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 1.24 0.00 0.00 1.15 0.00 0.00 40 T 8.26 3.77 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 1.33 0.00 0.00 41 K 8.13 3.89 0.00 1.82 1.94 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.42 7.81 42 M 7.81 3.78 0.00 1.43 1.33 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.81 0.00 43 V 7.94 3.45 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.87 0.00 0.00 44 Q 7.74 3.97 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.59 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 45 K 7.62 3.97 0.00 1.76 1.90 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.47 7.81 46 L 8.06 4.19 0.00 1.88 1.78 0.87 0.62 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 47 D 8.20 4.92 0.00 2.93 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 48 K 8.07 4.02 0.00 1.88 2.04 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.49 7.81 49 D 7.98 4.66 0.00 2.99 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.73 3.80 0.00 1.98 1.95 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 2.21 2.21 0.00 51 Y 8.18 4.35 0.00 3.12 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.45 4.83 0.00 1.97 1.85 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.76 4.92 1.93 0.00 0.00 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 1.16 1.22 0.97 0.00 0.00 54 Y 9.37 4.72 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 *59 G 8.42 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 60 L 8.42 4.67 0.00 1.91 1.72 1.05 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.29 4.49 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 1.10 0.00 0.00 0.98 0.00 0.00 62 L 8.70 4.90 0.00 1.66 1.70 1.12 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.62 4.42 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 1.24 0.00 0.00 64 S 8.60 4.13 0.00 4.08 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 65 K 8.07 4.06 0.00 1.77 1.75 0.00 1.17 0.00 0.00 1.21 0.00 0.00 2.75 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.43 7.81 66 G 8.06 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 67 K 8.59 4.26 0.00 2.04 2.03 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.60 1.71 7.81 68 K 8.22 3.91 0.00 1.89 1.99 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.44 7.81 69 I 7.89 3.89 2.01 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 1.89 1.13 0.99 0.00 0.00 70 G 8.27 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 0.00 0.00 0.00 71 K 7.52 3.26 0.00 1.77 1.85 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.50 7.81 72 R 7.77 4.05 0.00 2.19 2.19 0.00 2.88 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 73 L 8.28 4.12 0.00 1.80 1.74 0.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.89 3.65 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 1.10 0.00 0.00 1.07 0.00 0.00 75 Y 8.17 4.14 0.00 3.16 3.31 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 76 R 8.30 3.61 0.00 2.15 2.06 0.00 2.76 0.00 0.00 2.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.37 0.00 77 H 8.24 3.91 0.00 3.37 3.43 0.00 5.84 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 78 E 8.34 4.02 0.00 2.13 2.01 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 2.57 2.53 0.00 79 L 7.89 3.84 0.00 1.18 1.46 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.77 4.07 0.00 1.77 1.68 0.80 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.22 3.95 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 82 Q 8.13 4.00 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.74 0.00 83 F 8.52 4.32 0.00 3.07 3.23 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 84 L 7.81 3.40 0.00 1.62 1.52 0.86 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.07 3.78 0.00 1.94 2.05 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 86 I 7.71 3.64 2.05 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 1.58 0.78 0.72 0.00 0.00 87 I 7.00 3.90 1.67 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.24 0.72 0.00 0.00 88 G 7.49 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 89 V 7.25 3.59 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 0.69 0.00 0.00 0.80 0.00 0.00 90 D 8.68 4.30 0.00 2.76 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.16 3.91 0.00 2.09 1.95 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 2.38 2.46 0.00 92 E 8.41 4.05 0.00 2.16 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 0.00 2.75 2.40 0.00 93 K 8.12 4.37 0.00 1.91 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.63 7.81 94 I 7.39 3.64 2.02 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 1.35 0.78 0.90 0.00 0.00 95 Y 8.06 4.02 0.00 3.09 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 96 N 8.25 4.26 0.00 2.82 2.85 0.00 0.00 7.08 8.08 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 97 D 7.88 4.30 0.00 2.76 2.66 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 98 V 7.75 3.45 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 0.61 0.00 0.00 0.90 0.00 0.00 99 E 7.25 4.12 0.00 1.74 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 1.47 1.85 0.00 100 G 7.47 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 I 7.81 4.01 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.70 0.96 0.00 0.00 102 E 8.06 3.69 0.00 1.96 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 0.00 2.08 1.76 0.00 103 H 7.77 4.44 0.00 2.89 3.20 0.00 5.67 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.06 4.81 0.00 3.08 3.25 0.00 5.62 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.36 4.61 0.00 1.39 1.38 0.80 0.84 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 0.00 106 S 8.20 4.28 0.00 4.05 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 0.00 107 W 8.51 3.97 0.00 3.49 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.26 4.36 0.00 2.84 2.83 0.00 0.00 7.25 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 0.00 109 S 7.82 4.08 0.00 3.92 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.68 3.59 2.07 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.35 1.05 0.00 0.00 111 D 8.55 4.50 0.00 2.91 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 0.00 112 R 8.02 3.97 0.00 1.92 1.92 0.00 3.27 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 113 I 8.05 3.67 1.80 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.73 0.42 0.00 0.00 114 G 8.11 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 0.00 0.00 0.00 115 D 8.11 4.43 0.00 2.86 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.88 3.95 0.00 1.85 1.87 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.07 3.87 2.33 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 1.06 0.00 0.00 1.17 0.00 0.00 118 Q 8.21 4.00 0.00 2.30 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.49 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 119 Y 8.14 4.06 0.00 2.89 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.15 4.25 0.00 3.36 3.07 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 0.00 121 E 8.43 4.21 0.00 2.20 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 2.61 2.54 0.00 122 E 8.07 4.47 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 2.51 2.17 0.00 123 D 7.56 4.37 0.00 2.62 2.38 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 0.00 124 D 8.88 4.36 0.00 2.75 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 0.00 125 A 8.43 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.21 3.98 0.00 1.97 2.00 0.00 2.62 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 127 K 8.06 4.00 0.00 1.98 1.83 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.54 1.65 7.81 128 K 8.09 3.99 0.00 1.99 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.74 1.63 7.81 129 D 8.23 4.42 0.00 2.95 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 0.00 130 L 8.06 4.02 0.00 1.86 1.77 0.95 0.07 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 0.00 131 K 7.96 4.02 0.00 1.90 1.84 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.65 7.81 132 S 7.99 4.28 0.00 4.08 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 0.00 133 I 7.61 3.78 2.05 0.00 0.00 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 1.54 0.96 0.92 0.00 0.00 134 Q 7.74 4.06 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 135 K 7.63 4.21 0.00 1.94 1.85 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.72 7.81 136 K 7.83 4.12 0.00 1.85 1.74 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.