NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3362 8.1593 117.3760 63.2363 68.8539 173.1709 3 T 3.8180 8.3242 117.7229 60.0125 69.3228 172.1939 4 P 4.5372 0.0000 0.0000 62.9459 34.0905 177.2512 5 S 4.6575 9.3386 120.1489 58.1221 62.5022 176.3149 *7 E 4.2499 9.0498 117.8980 56.3758 31.2234 177.1534 8 D 4.3956 8.6300 118.9572 57.6694 40.7710 178.4851 9 Y 3.8114 8.2406 116.8765 61.2089 37.9537 178.3987 10 I 3.8576 7.9813 120.1287 64.8452 36.9797 177.9219 11 E 4.0845 8.3216 118.9664 59.1218 29.5205 178.3246 12 Q 4.1028 7.9062 119.0534 59.0240 29.4456 177.8625 13 I 3.9295 8.6782 121.7981 64.5239 37.3129 178.4200 14 Y 3.9180 8.3308 118.0157 58.6994 39.0407 177.6982 *16 L 4.1853 7.8855 120.0046 54.3676 44.0974 179.2687 17 I 3.7283 7.6858 119.2360 64.2896 36.6363 178.4095 18 E 3.8526 7.5668 118.3161 59.7067 29.3693 178.1996 19 E 4.0883 7.9434 118.3228 58.6434 29.9663 178.0367 20 K 4.0063 7.9472 120.7581 57.4166 32.4983 178.5423 21 G 4.3303 9.6738 107.2209 44.9816 0.0000 172.0488 22 Y 4.9039 6.4495 114.9970 56.0785 41.3167 173.8873 23 A 4.6484 8.6780 120.5052 50.5267 22.1737 175.3575 24 R 4.8695 8.6667 121.0735 54.7699 33.2623 177.6742 25 V 3.6077 8.7703 121.0565 66.5761 31.5125 178.4508 26 S 4.2258 8.2642 113.2018 61.8409 62.5231 176.1467 27 D 4.3686 7.9866 121.7543 57.1400 40.6639 178.5450 28 I 3.6595 7.9064 120.1590 64.2515 37.1225 178.2634 29 A 3.9937 8.4146 122.0141 55.2327 17.6897 179.6042 30 E 3.8804 8.2482 116.7746 59.5148 29.3548 179.5137 31 A 3.9605 7.7851 120.5429 55.0519 18.4763 178.3957 32 L 4.0826 7.9387 112.5164 54.2447 42.4431 176.2873 33 A 3.7456 7.3592 119.6809 53.4652 16.1577 176.9563 34 V 4.6151 7.6772 112.5162 59.5329 36.1122 176.2585 35 H 4.3186 8.7125 118.8383 55.4716 29.2077 175.0846 36 P 3.8569 0.0000 0.0000 65.9664 30.6226 178.5170 37 S 4.3125 8.1239 113.1908 60.8494 62.9322 176.1593 38 S 4.2674 8.8894 119.6110 61.1046 62.8743 176.2544 39 V 4.0696 7.7067 121.1782 65.4731 31.6470 177.8934 40 T 3.9040 7.7790 115.1977 66.4226 68.3209 177.6620 41 K 3.9391 7.5095 116.7276 57.3811 32.0100 178.9259 *43 V 3.8771 7.7896 121.4576 62.8919 33.3935 177.6805 44 Q 4.1242 8.0782 119.0022 58.6446 28.5019 178.0430 45 K 3.8783 7.8987 120.6509 59.7331 32.1371 178.8020 46 L 4.2174 7.8154 118.2770 57.3557 41.6511 178.7716 47 D 5.0986 7.8838 119.5183 56.3952 41.0121 178.1908 48 K 3.9414 8.1886 119.9609 59.6472 32.2574 177.4240 49 D 4.4219 8.3640 115.7425 54.5219 40.9023 175.7117 50 E 3.7309 7.5887 117.5772 57.9017 27.2735 174.5816 51 Y 4.7159 8.2099 116.7577 58.7496 40.1623 176.1578 52 L 4.9351 7.6927 117.8863 55.1480 44.3763 173.7453 53 I 4.5814 9.1618 121.7866 59.8309 39.0749 174.9571 54 Y 4.4366 9.5118 130.7430 57.3691 38.5533 174.8805 55 E 4.3517 9.2106 128.6296 53.5993 29.0232 174.3640 56 K 3.5365 7.3965 121.8628 57.6516 32.7722 176.4301 57 Y 4.1451 8.9936 121.8558 58.4698 36.4194 169.5502 58 R 4.4012 10.1117 116.6075 57.3238 32.6232 176.3792 59 G 4.1382 7.2829 102.7087 44.5461 0.0000 170.2375 60 L 5.2983 8.3984 120.6415 53.0252 43.5589 176.7305 61 V 4.4444 8.3332 122.9959 60.8760 33.9226 174.8385 62 L 4.7858 8.7429 128.2862 55.0723 42.6313 176.8895 63 T 4.5431 8.5713 113.0773 60.3618 70.9286 175.6799 64 S 4.3127 8.8980 117.1133 61.7660 62.4001 176.8188 65 K 4.0125 7.9658 123.1416 59.4194 31.9734 179.0453 66 G 3.8027 8.2078 105.5530 47.7457 0.0000 175.2300 67 K 4.1704 8.7029 122.5898 59.2730 32.1022 178.7902 68 K 3.9448 8.5242 120.2847 59.3745 31.9772 178.9637 69 I 3.8406 7.9223 120.2683 64.3382 37.1213 178.6949 70 G 3.2388 8.2385 106.8813 47.5232 0.0000 175.4736 71 K 3.1973 7.0082 122.1715 58.8560 32.0556 178.8827 72 R 3.8820 7.4160 117.3883 59.5105 30.1811 178.4115 73 L 4.1781 8.0739 119.1374 57.8843 41.5128 179.8211 74 V 3.6169 8.2465 118.5567 65.9966 31.4939 177.1434 75 Y 4.2014 8.0559 119.4283 60.9873 38.5293 178.2968 76 R 3.6207 8.2207 119.2716 59.5571 30.2615 177.9053 77 H 3.9692 8.0325 117.6973 59.2611 29.8411 176.9731 78 E 3.9540 8.8529 120.8887 59.3064 29.3327 178.9983 79 L 3.7703 7.9038 120.4897 58.3352 42.1290 179.0365 80 L 4.0593 7.8970 118.7780 57.7259 41.3913 179.6620 81 E 3.9070 8.0262 118.5294 59.3620 29.5282 179.1756 82 Q 4.0715 8.4305 117.3626 58.4320 28.4941 178.1015 83 F 4.3246 8.2263 123.6511 61.4014 39.5715 176.7255 84 L 3.3268 7.8276 118.4939 57.7678 41.4526 179.8265 85 R 3.7734 8.0826 118.4398 59.2870 29.8295 178.4175 86 I 3.6681 7.5145 119.0368 64.3573 37.2116 177.8066 87 I 3.8813 7.2201 110.3597 60.8917 37.3316 176.3422 88 G 3.7553 7.6325 107.3074 46.0562 0.0000 174.4392 89 V 3.5501 7.7747 119.1368 61.9419 32.2157 175.4629 90 D 4.2957 8.5892 125.5526 54.3711 41.7084 176.1435 91 E 3.8953 9.1643 127.6122 59.8367 29.3289 178.4236 92 E 4.2168 8.5203 115.6464 57.8061 29.7717 177.9768 93 K 4.5515 8.3550 117.8454 55.7783 33.6107 178.0057 94 I 3.6240 7.6177 121.2664 64.4610 37.0214 177.3979 95 Y 4.0436 7.9657 119.5878 60.8382 38.7083 177.4911 96 N 4.2597 8.3781 116.7702 56.5810 38.7126 176.8914 97 D 4.2704 8.1102 119.9261 57.3255 40.9276 179.0972 98 V 3.4208 7.8540 118.9405 65.9470 31.3095 177.5314 99 E 3.7557 8.1419 118.3456 59.1935 29.3680 178.7997 100 G 3.6485 7.9085 105.1262 47.2705 0.0000 175.0979 101 I 4.1111 7.7546 114.3860 61.5230 37.9826 177.3876 102 E 3.8699 8.4850 118.6038 58.5277 29.4447 177.1915 103 H 4.8320 7.7907 115.0663 55.9693 29.1416 174.0148 104 H 5.0784 8.1195 115.7858 55.3740 29.9393 173.0041 105 L 4.7009 7.6917 118.6757 52.0003 44.7410 177.4696 106 S 4.2892 8.4512 118.1400 58.4255 64.8046 175.5448 107 W 3.9336 8.7110 122.1551 58.6854 28.8004 178.3699 108 N 4.4982 8.1308 117.6373 56.8542 38.5688 176.6425 109 S 4.0478 7.8582 116.1472 61.5971 62.8525 176.6676 110 I 3.5190 7.4159 121.8205 64.5465 36.8667 177.9657 111 D 4.5117 8.4249 119.7321 57.8105 40.6687 179.4118 112 R 4.2105 8.1323 119.7492 58.7796 29.9311 179.2448 113 I 3.5633 8.3651 120.2346 64.0691 36.9687 178.7329 114 G 3.4728 8.4391 107.2084 47.8721 0.0000 175.5869 115 D 4.4845 8.1084 121.2900 56.9242 40.6628 178.6471 116 L 4.0869 8.0498 121.1590 58.2336 42.2882 179.2356 117 V 3.8525 8.5683 119.0859 65.8111 31.1728 177.6665 118 Q 3.9978 8.4124 119.0851 60.0702 29.3538 177.0034 119 Y 3.9476 8.6603 119.6420 61.8907 38.6512 178.2080 120 F 4.1256 8.5546 118.3626 60.5762 39.0581 177.6867 121 E 4.1740 8.0696 117.1112 58.8705 29.3954 178.1453 122 E 4.4614 7.8688 116.0646 56.0032 29.9510 176.2933 123 D 4.2154 7.4954 114.5700 52.3503 43.5050 175.6732 124 D 4.5066 8.6650 128.3715 57.3471 40.6274 178.7772 125 A 4.0711 8.0943 120.8677 54.9143 18.3820 179.7196 126 R 3.9305 8.5382 117.3235 59.3857 30.0315 179.3686 127 K 4.2062 8.1509 117.9596 59.0316 32.2001 178.9757 128 K 3.8750 8.3862 120.4890 59.7671 31.8885 178.4742 129 D 4.3497 8.1820 117.6505 57.2965 41.0519 178.0285 130 L 4.1559 8.0013 120.8241 58.1640 41.9388 178.7751 131 K 3.8495 8.3365 119.8165 59.6078 32.1139 178.5663 132 S 4.2399 7.9668 112.9908 60.4570 62.6609 175.7394 133 I 3.9790 7.7879 124.0024 63.7392 37.2687 177.6011 134 Q 4.0556 8.0780 119.7218 58.6687 28.8404 178.3455 135 K 4.1029 7.8492 118.6598 59.3423 32.6495 178.8199 136 K 4.1608 7.7306 118.6711 59.7836 31.7747 179.3929 137 T 4.3179 8.0166 113.5465 63.8383 68.7945 174.3978 138 E 4.2258 8.0532 128.0298 56.3132 29.8091 175.3956 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 4.34 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 1.22 0.00 0.00 3 T 8.32 3.82 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 4 P 0.00 4.54 0.00 2.01 1.93 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.05 0.00 5 S 9.34 4.66 0.00 3.95 3.08 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 *7 E 9.05 4.25 0.00 2.10 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 0.00 2.28 2.34 0.00 8 D 8.63 4.40 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 9 Y 8.24 3.81 0.00 3.02 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 10 I 7.98 3.86 1.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.74 0.99 0.00 0.00 11 E 8.32 4.08 0.00 1.97 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 0.00 2.36 2.34 0.00 12 Q 7.91 4.10 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 13 I 8.68 3.93 2.13 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 1.49 1.05 0.99 0.00 0.00 14 Y 8.33 3.92 0.00 3.19 3.14 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 *16 L 7.89 4.19 0.00 1.85 1.72 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.69 3.73 1.79 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.37 0.82 0.00 0.00 18 E 7.57 3.85 0.00 1.85 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 1.85 2.16 0.00 19 E 7.94 4.09 0.00 1.90 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 2.22 2.35 0.00 20 K 7.95 4.01 0.00 1.43 1.10 0.00 1.52 0.00 0.00 1.49 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.26 7.81 21 G 9.67 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 6.45 4.90 0.00 2.98 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 23 A 8.68 4.65 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 24 R 8.67 4.87 0.00 1.92 1.95 0.00 3.21 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.99 0.00 25 V 8.77 3.61 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 1.19 0.00 0.00 0.97 0.00 0.00 26 S 8.26 4.23 0.00 4.12 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 0.00 27 D 7.99 4.37 0.00 2.96 2.75 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 28 I 7.91 3.66 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 0.78 0.84 0.00 0.00 29 A 8.41 3.99 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.25 3.88 0.00 2.26 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 2.33 2.33 0.00 31 A 7.79 3.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.94 4.08 0.00 1.45 1.53 0.08 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.36 3.75 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 34 V 7.68 4.62 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 0.81 0.00 0.00 0.98 0.00 0.00 35 H 8.71 4.32 0.00 3.20 3.26 0.00 5.66 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 36 P 0.00 3.86 0.00 2.30 2.37 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 37 S 8.12 4.31 0.00 4.12 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 38 S 8.89 4.27 0.00 4.01 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 39 V 7.71 4.07 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 1.15 0.00 0.00 1.10 0.00 0.00 40 T 7.78 3.90 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 41 K 7.51 3.94 0.00 1.71 1.79 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.69 7.81 *43 V 7.79 3.88 1.71 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 0.08 0.00 0.00 0.87 0.00 0.00 44 Q 8.08 4.12 0.00 2.41 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.55 0.00 0.00 0.00 0.00 0.00 2.62 2.70 0.00 45 K 7.90 3.88 0.00 1.77 1.74 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.27 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.63 7.81 46 L 7.82 4.22 0.00 1.88 1.80 0.78 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.88 5.10 0.00 2.99 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 48 K 8.19 3.94 0.00 1.76 1.99 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.41 7.81 49 D 8.36 4.42 0.00 2.97 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 7.59 3.73 0.00 1.96 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 2.19 2.27 0.00 51 Y 8.21 4.72 0.00 2.97 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 52 L 7.69 4.94 0.00 1.92 1.83 1.04 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 53 I 9.16 4.58 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 1.14 1.11 1.02 0.00 0.00 54 Y 9.51 4.44 0.00 2.84 3.04 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 55 E 9.21 4.35 0.00 2.16 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 2.28 2.49 0.00 56 K 7.40 3.54 0.00 1.06 1.12 0.00 1.35 0.00 0.00 1.07 0.00 0.00 3.18 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.90 1.06 7.81 57 Y 8.99 4.15 0.00 3.11 3.06 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 0.00 0.00 0.00 58 R 10.11 4.40 0.00 1.90 1.96 0.00 3.24 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 59 G 7.28 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 60 L 8.40 5.30 0.00 1.53 1.67 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.33 4.44 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 1.03 0.00 0.00 0.99 0.00 0.00 62 L 8.74 4.79 0.00 1.68 1.78 1.21 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.57 4.54 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 64 S 8.90 4.31 0.00 4.08 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 0.00 65 K 7.97 4.01 0.00 1.76 1.96 0.00 1.51 0.00 0.00 1.51 0.00 0.00 2.71 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.59 1.49 7.81 66 G 8.21 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 67 K 8.70 4.17 0.00 2.09 2.01 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.67 7.81 68 K 8.52 3.94 0.00 1.94 1.96 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.43 7.81 69 I 7.92 3.84 2.06 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 1.47 0.68 0.88 0.00 0.00 70 G 8.24 3.24 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 71 K 7.01 3.20 0.00 1.78 1.72 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.58 7.81 72 R 7.42 3.88 0.00 2.06 2.03 0.00 2.82 0.00 0.00 2.86 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.37 0.00 73 L 8.07 4.18 0.00 1.83 1.75 0.98 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.25 3.62 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 1.13 0.00 0.00 1.11 0.00 0.00 75 Y 8.06 4.20 0.00 3.28 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.22 3.62 0.00 2.01 2.06 0.00 2.34 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.17 0.00 77 H 8.03 3.97 0.00 3.39 3.46 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 8.85 3.95 0.00 2.03 1.99 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 2.65 2.55 0.00 79 L 7.90 3.77 0.00 1.10 1.48 0.85 0.46 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 80 L 7.90 4.06 0.00 1.58 1.65 0.72 0.80 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 81 E 8.03 3.91 0.00 2.18 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 82 Q 8.43 4.07 0.00 2.27 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.83 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 83 F 8.23 4.32 0.00 3.06 3.21 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 84 L 7.83 3.33 0.00 1.73 1.53 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.08 3.77 0.00 1.97 2.00 0.00 3.09 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 1.58 1.75 0.00 86 I 7.51 3.67 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.99 0.69 0.00 0.00 87 I 7.22 3.88 1.62 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 0.92 0.24 0.66 0.00 0.00 88 G 7.63 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 89 V 7.77 3.55 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 0.67 0.00 0.00 0.75 0.00 0.00 90 D 8.59 4.30 0.00 2.71 2.51 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 91 E 9.16 3.90 0.00 2.09 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 2.38 2.50 0.00 92 E 8.52 4.22 0.00 1.97 1.99 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 2.34 2.49 0.00 93 K 8.35 4.55 0.00 1.80 1.76 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.41 7.81 94 I 7.62 3.62 1.98 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 1.34 0.87 0.88 0.00 0.00 95 Y 7.97 4.04 0.00 3.09 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 96 N 8.38 4.26 0.00 2.79 2.87 0.00 0.00 7.04 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 8.11 4.27 0.00 2.88 2.65 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 98 V 7.85 3.42 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 0.78 0.00 0.00 0.84 0.00 0.00 99 E 8.14 3.76 0.00 1.16 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 0.00 2.19 2.25 0.00 100 G 7.91 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 0.00 0.00 0.00 101 I 7.75 4.11 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.82 0.88 0.00 0.00 102 E 8.49 3.87 0.00 1.82 1.99 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 2.38 1.89 0.00 103 H 7.79 4.83 0.00 2.93 3.21 0.00 5.64 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.12 5.08 0.00 3.05 3.18 0.00 5.61 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.69 4.70 0.00 1.36 1.34 0.79 0.86 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 0.00 106 S 8.45 4.29 0.00 4.08 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 0.00 107 W 8.71 3.93 0.00 3.49 3.41 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 0.00 108 N 8.13 4.50 0.00 2.88 2.83 0.00 0.00 7.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 7.86 4.05 0.00 4.00 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 0.00 110 I 7.42 3.52 2.04 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 1.36 -0.09 0.86 0.00 0.00 111 D 8.42 4.51 0.00 2.89 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 0.00 112 R 8.13 4.21 0.00 1.91 1.92 0.00 3.29 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 113 I 8.37 3.56 1.85 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 0.82 0.77 0.48 0.00 0.00 114 G 8.44 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.11 4.48 0.00 2.93 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 8.05 4.09 0.00 1.84 1.83 0.95 0.88 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 0.00 117 V 8.57 3.85 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 1.06 0.00 0.00 1.09 0.00 0.00 118 Q 8.41 4.00 0.00 2.18 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.64 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 119 Y 8.66 3.95 0.00 2.99 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 0.00 120 F 8.55 4.13 0.00 3.29 3.16 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 0.00 121 E 8.07 4.17 0.00 2.27 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 2.59 2.56 0.00 122 E 7.87 4.46 0.00 1.99 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 2.33 2.44 0.00 123 D 7.50 4.22 0.00 2.70 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 0.00 0.00 0.00 0.00 124 D 8.66 4.51 0.00 2.73 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 0.00 125 A 8.09 4.07 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 8.54 3.93 0.00 1.86 1.82 0.00 2.47 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 1.33 1.41 0.00 127 K 8.15 4.21 0.00 1.99 1.88 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.71 1.74 7.81 128 K 8.39 3.87 0.00 2.06 2.04 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.56 7.81 129 D 8.18 4.35 0.00 2.78 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 0.00 130 L 8.00 4.16 0.00 2.00 1.89 0.95 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.34 3.85 0.00 2.02 1.93 0.00 1.55 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.49 7.81 132 S 7.97 4.24 0.00 4.13 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 I 7.79 3.98 2.09 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 1.43 0.92 0.92 0.00 0.00 134 Q 8.08 4.06 0.00 2.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 135 K 7.85 4.10 0.00 1.94 1.84 0.00 1.82 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 1.61 1.47 7.81 136 K 7.73 4.16 0.00 1.71 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.85 1.64 7.81 137 T 8.02 4.32 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 1.20 0.00 0.00 138 E 8.05 4.23 0.00 2.13 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 2.20 2.19 0.00 * Residues marked with a * may have inaccurate shift predictions.