NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2733 8.1593 117.3738 63.5843 69.7257 173.4284 2 S 4.4738 8.3442 121.1386 55.6333 65.3910 173.0842 3 K 3.9929 9.4487 122.3812 59.7557 32.8085 179.7139 4 K 3.8857 8.0910 118.0750 59.5639 31.8297 178.8513 5 K 4.1334 7.7148 117.7857 58.3133 32.1397 177.8374 6 R 4.4602 7.4897 116.2352 56.6486 30.6958 177.5676 7 Q 4.1042 7.9116 119.8969 57.2629 28.5037 176.4071 8 R 4.0299 7.5171 118.9886 58.1018 30.2805 176.3516 9 G 4.1049 9.0689 111.6830 45.5877 0.0000 174.3947 10 S 4.1597 8.2369 113.3275 58.6943 63.3691 174.1141 11 R 4.1440 7.9212 124.6012 57.2669 29.2846 176.5813 12 T 4.2672 7.6112 105.0685 61.4368 69.7120 174.1832 13 H 4.8265 8.3209 118.2544 56.0217 26.8681 175.7428 14 G 3.9217 8.4955 104.6073 45.8578 0.0000 174.8401 15 G 3.8564 8.2080 107.4331 45.2319 0.0000 176.0084 16 G 3.9398 7.8604 106.6628 44.7870 0.0000 174.1369 17 S 4.1439 8.6620 117.4041 58.7912 62.6092 174.8392 18 H 4.3984 8.8431 121.4572 57.2179 28.3207 175.8672 19 K 4.0694 7.6733 119.0633 57.0357 31.6735 177.5575 20 N 4.3790 7.5214 117.6259 55.6657 39.2552 177.0523 21 R 4.3913 7.4262 120.5126 56.4731 28.9885 177.3547 22 R 4.5507 7.3400 121.9616 56.1526 30.7426 180.1951 23 G 4.0841 8.4936 121.7842 45.6975 0.0000 173.4708 24 A 4.2518 8.6408 120.3135 54.4664 18.3524 180.0621 25 G 3.5546 8.0622 104.2710 47.8043 0.0000 174.7962 26 H 4.5853 8.1370 118.5048 57.6279 29.9368 175.6991 27 R 4.4187 7.4826 117.1021 55.7742 30.8180 175.6146 28 G 3.8724 8.6796 105.6085 47.0248 0.0000 174.5027 29 G 4.0898 8.0984 105.9581 43.8831 0.0000 174.6713 30 R 3.9909 8.6723 120.8028 57.1296 31.7103 176.1977 31 G 3.7538 8.2184 113.6863 47.5163 0.0000 173.3670 32 D 4.7119 8.6745 123.8137 53.8551 40.5531 175.4979 33 A 4.0756 7.5935 122.6427 53.9914 18.8439 178.8282 34 G 3.8086 8.9734 108.9060 46.0075 0.0000 175.4531 35 R 4.0956 7.7707 116.5341 57.5637 29.2367 177.3203 36 D 5.1834 7.9352 116.3069 52.8298 41.6781 175.5922 37 K 4.5346 8.9667 116.9039 57.5591 32.4316 177.1176 38 H 4.5763 9.6973 124.8656 58.2496 29.6656 176.3187 39 E 4.7282 7.6262 119.8115 55.6480 30.5812 177.1744 40 F 5.0599 8.2734 115.6923 59.4318 38.3899 175.1348 41 H 3.7607 6.3652 116.8509 57.4151 28.6745 174.7959 42 N 4.2859 8.8068 118.5921 54.0096 36.2714 173.6721 43 H 4.8364 7.7986 115.3541 53.9485 30.4794 175.0386 44 E 4.2324 8.5247 122.3278 55.2386 30.0720 175.3604 45 P 4.3972 0.0000 0.0000 62.6401 31.8359 176.1055 46 L 4.1319 8.1018 120.0710 54.7379 42.3060 176.0349 47 G 4.0398 8.4287 106.2072 44.6520 0.0000 173.4365 48 K 4.5551 8.2031 118.3579 54.8442 33.9937 176.6658 49 S 4.3525 8.2026 115.6233 57.8601 65.1035 175.2876 50 G 4.0233 9.1197 118.4916 45.0836 0.0000 171.6802 51 F 4.9999 8.1388 112.2430 55.3648 40.9869 173.3884 52 K 4.3858 8.4542 119.7228 54.5228 34.8261 176.2589 53 R 4.5954 8.1446 121.0821 53.9669 31.6192 174.7947 54 P 4.3029 0.0000 0.0000 63.2170 31.3689 177.0021 55 Q 3.9092 9.0101 120.9597 59.1298 28.7438 178.6233 56 K 4.4292 7.9726 113.7468 56.8520 32.6756 177.0234 57 V 4.2939 7.9356 117.1292 62.8628 32.3514 175.0508 58 Q 4.5281 7.6009 117.5061 55.2721 29.9084 174.7884 59 E 4.5673 8.5461 121.4430 54.5540 31.6940 174.9834 60 E 4.5030 8.3782 122.7599 54.2737 32.1080 174.3547 61 A 3.9836 8.2915 129.0184 50.9709 20.1318 176.1894 62 A 4.4203 8.9691 124.9719 51.1305 19.9294 176.6278 63 T 5.5083 8.1455 112.0565 60.0729 71.9129 173.6960 64 I 4.4293 7.7633 120.2724 60.3209 41.6341 173.3102 65 D 5.1823 8.6229 128.4129 53.4072 42.2785 177.7709 66 V 3.6490 8.4859 116.2202 64.8129 31.4982 178.7689 67 R 3.8843 7.8270 117.9260 59.7197 29.5114 178.1450 68 E 3.9115 7.9739 117.8569 59.3676 29.9128 178.4219 69 I 3.7504 7.6933 119.3923 64.3965 37.0407 177.3683 70 D 4.3246 8.3292 118.6691 57.8536 41.1558 178.4486 71 E 4.2211 8.0925 116.9869 58.0990 29.6022 177.2050 72 N 5.0226 7.9813 116.3941 52.8314 40.0075 176.9412 73 V 3.3061 7.9388 113.8900 64.7002 31.7513 177.9915 74 T 3.9846 7.6277 108.0138 64.7215 68.7287 175.5309 75 L 4.0492 7.8539 120.9187 57.0064 42.1692 177.5036 76 L 4.3505 7.7777 119.7994 54.2102 41.1039 178.2808 77 A 4.1028 7.9130 121.1871 54.4704 18.8287 178.0637 78 A 4.6819 7.7724 117.8667 52.0364 19.3294 176.5162 79 D 4.8573 7.9417 118.4486 54.8407 45.4041 175.0574 80 D 4.2751 7.8611 120.6343 50.9385 41.8198 175.7520 81 V 4.2881 8.5066 123.3831 61.4225 33.4650 174.0571 82 A 4.9419 8.0230 133.6165 50.2314 21.4387 175.1832 83 E 3.6812 8.7538 112.5936 59.2626 29.6581 176.7707 *89 F 4.5339 7.7532 117.4539 57.4141 41.1936 173.7065 90 R 5.1719 8.7852 119.7851 54.9116 32.6007 174.6248 91 V 4.5115 8.8230 125.3697 60.0745 35.5194 174.4525 92 D 4.6484 8.7207 123.2282 52.9078 41.0819 176.6038 93 V 3.5510 8.4024 126.7556 66.1311 31.8495 178.3498 94 R 3.9859 8.3151 117.1183 59.6064 29.8682 177.7884 95 D 4.5631 8.4972 116.4654 55.4132 41.1131 178.2966 96 V 3.9914 7.9031 118.8571 63.8756 32.2426 176.3665 97 V 3.5621 7.2623 117.3728 62.9245 31.6452 175.5269 98 E 4.2207 8.5847 126.7216 56.3608 30.2171 175.6007 99 E 3.7247 8.5571 115.2516 57.7999 26.8876 175.1183 100 A 4.5281 8.0873 118.3511 52.3668 19.2191 178.3601 101 D 4.6612 7.8843 118.2816 57.3780 42.0123 178.0544 102 D 4.7098 7.9939 114.3907 53.5294 39.4550 175.5431 103 A 4.4769 7.2804 122.8185 51.1530 20.0738 177.8995 104 D 4.4616 8.6648 121.5273 56.2489 41.8360 175.8843 105 Y 4.6851 6.8060 115.7770 56.6856 40.4546 172.2855 106 V 4.6783 8.7955 121.7802 61.4743 33.6036 174.4331 107 K 4.7327 9.3641 129.1646 54.5627 35.0750 174.5625 108 V 4.5834 8.3094 127.6277 61.7403 33.1208 174.8494 109 L 4.5493 9.3411 128.3914 52.5630 44.4994 176.7330 110 G 4.4441 7.7205 106.8854 45.4768 0.0000 173.8787 111 A 4.5977 8.0523 120.3946 51.6112 21.5406 178.8343 112 G 3.9563 8.9465 108.9968 44.4937 0.0000 172.1071 113 Q 4.4656 8.1337 117.4392 54.2419 30.9214 175.4408 114 V 4.3796 7.9596 117.3534 61.9313 33.0546 175.3797 115 R 4.6466 8.8083 130.2135 55.3953 30.5380 176.0650 116 H 4.7760 7.6440 111.6013 54.8459 32.7293 173.5123 117 E 4.5780 8.8707 121.6761 56.0615 30.0332 176.0932 118 L 5.0575 8.6414 124.4092 53.2206 45.7044 175.9030 119 T 5.2298 8.8965 120.0131 61.2688 70.3584 172.6027 120 L 5.3041 8.3368 126.4248 53.0690 44.5839 175.6532 121 I 5.7643 8.8164 123.2778 58.9243 40.0695 174.6101 122 A 4.9979 8.7796 127.2836 50.5890 22.7324 175.9778 123 D 4.5223 8.6617 118.1218 56.7397 41.9744 176.2961 124 D 4.6152 7.1982 115.4636 53.4792 44.3845 174.1950 125 F 5.4067 8.8147 121.4579 55.8377 43.4453 174.2902 126 S 4.6208 8.4335 115.2624 57.3416 65.1288 174.4825 127 E 4.0054 9.2420 121.4640 60.0545 29.2428 179.6433 128 G 3.7200 8.2007 104.3966 47.4289 0.0000 175.2410 129 A 4.0738 8.0638 123.2518 55.2405 18.4362 179.8269 130 R 3.7673 7.9985 116.0617 59.3758 30.3374 178.5857 131 E 3.9333 8.2579 118.2789 59.8486 29.7276 180.1008 132 K 4.0135 8.0554 118.0225 59.4798 32.0569 179.7497 133 V 3.7488 7.8915 118.5910 65.8749 31.3245 177.9731 134 E 4.8638 8.2478 120.4278 58.5607 29.2348 179.1817 135 G 3.7118 8.1263 104.2027 46.5185 0.0000 174.3838 136 A 4.6873 7.2949 120.6283 51.0558 20.5416 176.6891 137 G 3.7011 8.4406 106.1495 47.9546 0.0000 172.8664 138 G 4.4643 7.9633 104.9916 44.4100 0.0000 171.9103 139 S 5.0463 8.8485 113.0439 56.3040 66.9392 173.5641 140 V 4.2270 8.1307 120.2540 61.2321 33.3785 174.3024 141 E 4.4498 9.2772 129.0576 55.0347 31.1772 175.1582 142 L 5.1288 8.3876 126.9529 53.9692 42.7988 176.3063 143 T 4.0815 8.7073 123.2212 63.8444 69.5967 175.1458 144 D 4.6693 8.7430 121.6145 57.0380 40.2108 179.0509 145 L 3.9069 8.1796 120.7592 58.0853 42.1572 178.8660 146 G 3.7028 7.4254 104.7652 47.1746 0.0000 173.2706 147 E 4.3384 8.1050 120.7147 57.3060 29.2775 177.6257 148 E 4.6462 7.4127 115.5849 56.2814 30.2141 177.9577 149 R 4.2277 7.6544 119.9093 54.1903 28.7515 176.2780 150 Q 4.3259 8.1113 122.0578 56.7728 29.4125 173.1997 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 T 8.16 4.27 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 1.20 0.00 0.00 2 S 8.34 4.47 0.00 4.05 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 3 K 9.45 3.99 0.00 1.83 1.85 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 K 8.09 3.89 0.00 1.83 1.86 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.52 7.81 5 K 7.71 4.13 0.00 1.67 2.00 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.49 4.46 0.00 1.93 1.91 0.00 3.20 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 7 Q 7.91 4.10 0.00 1.85 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.94 0.00 0.00 0.00 0.00 0.00 2.61 2.42 0.00 8 R 7.52 4.03 0.00 1.79 1.90 0.00 3.35 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 9 G 9.07 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.24 4.16 0.00 3.94 3.97 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 11 R 7.92 4.14 0.00 1.98 2.08 0.00 3.21 0.00 0.00 3.27 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 12 T 7.61 4.27 4.34 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 1.31 0.00 0.00 13 H 8.32 4.83 0.00 3.19 3.40 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.50 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 0.00 0.00 0.00 15 G 8.21 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 16 G 7.86 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 0.00 0.00 0.00 17 S 8.66 4.14 0.00 3.87 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 18 H 8.84 4.40 0.00 3.31 3.39 0.00 5.57 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.67 4.07 0.00 1.74 1.81 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.30 1.34 7.81 20 N 7.52 4.38 0.00 2.76 2.58 0.00 0.00 6.95 8.38 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 21 R 7.43 4.39 0.00 1.77 1.90 0.00 3.18 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 22 R 7.34 4.55 0.00 1.74 0.91 0.00 3.22 0.00 0.00 3.20 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 23 G 8.49 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 24 A 8.64 4.25 1.33 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 25 G 8.06 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.14 4.59 0.00 3.11 3.51 0.00 5.90 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.48 4.42 0.00 1.89 1.88 0.00 3.37 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 28 G 8.68 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 29 G 8.10 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.67 3.99 0.00 1.91 1.82 0.00 3.39 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 31 G 8.22 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 32 D 8.67 4.71 0.00 2.72 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 33 A 7.59 4.08 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 G 8.97 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.77 4.10 0.00 1.59 1.83 0.00 2.72 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 36 D 7.94 5.18 0.00 2.75 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 37 K 8.97 4.53 0.00 1.72 1.65 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.37 1.52 7.81 38 H 9.70 4.58 0.00 3.31 3.46 0.00 5.47 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.63 4.73 0.00 1.87 1.93 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 2.19 2.07 0.00 40 F 8.27 5.06 0.00 3.21 3.26 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 0.00 41 H 6.37 3.76 0.00 2.89 3.03 0.00 5.81 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 42 N 8.81 4.29 0.00 2.80 2.89 0.00 0.00 6.97 8.16 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 43 H 7.80 4.84 0.00 3.40 3.25 0.00 5.85 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.52 4.23 0.00 1.98 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 2.33 2.31 0.00 45 P 0.00 4.40 0.00 2.18 2.08 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 46 L 8.10 4.13 0.00 1.66 1.66 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.43 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 48 K 8.20 4.56 0.00 1.76 1.75 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.41 7.81 49 S 8.20 4.35 0.00 3.78 3.69 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 50 G 9.12 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 51 F 8.14 5.00 0.00 3.12 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 52 K 8.45 4.39 0.00 1.72 1.67 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.22 1.37 7.81 53 R 8.14 4.60 0.00 1.81 1.91 0.00 3.35 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.68 0.00 54 P 0.00 4.30 0.00 2.23 2.23 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 55 Q 9.01 3.91 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.08 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 56 K 7.97 4.43 0.00 1.86 1.90 0.00 1.52 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.43 7.81 57 V 7.94 4.29 2.21 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 0.85 0.00 0.00 0.95 0.00 0.00 58 Q 7.60 4.53 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.41 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 59 E 8.55 4.57 0.00 1.99 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 2.52 2.31 0.00 60 E 8.38 4.50 0.00 1.93 1.69 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 2.13 2.18 0.00 61 A 8.29 3.98 0.69 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 0.00 0.00 62 A 8.97 4.42 1.20 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 0.00 0.00 0.00 63 T 8.15 5.51 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 1.17 0.00 0.00 64 I 7.76 4.43 1.84 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 1.33 1.19 0.92 0.00 0.00 65 D 8.62 5.18 0.00 2.74 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 66 V 8.49 3.65 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.00 0.00 0.00 67 R 7.83 3.88 0.00 1.97 1.99 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 68 E 7.97 3.91 0.00 2.01 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 2.30 2.33 0.00 69 I 7.69 3.75 2.00 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 1.52 0.42 0.90 0.00 0.00 70 D 8.33 4.32 0.00 2.70 2.73 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 71 E 8.09 4.22 0.00 2.00 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 2.34 2.59 0.00 72 N 7.98 5.02 0.00 2.64 2.69 0.00 0.00 6.83 7.54 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 73 V 7.94 3.31 0.67 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 0.43 0.00 0.00 0.26 0.00 0.00 74 T 7.63 3.98 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 1.18 0.00 0.00 75 L 7.85 4.05 0.00 1.72 1.77 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.78 4.35 0.00 1.87 1.75 0.87 0.71 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 77 A 7.91 4.10 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 78 A 7.77 4.68 1.28 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 79 D 7.94 4.86 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.86 4.28 0.00 3.00 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 81 V 8.51 4.29 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 0.45 0.00 0.00 1.03 0.00 0.00 82 A 8.02 4.94 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 83 E 8.75 3.68 0.00 2.05 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 0.00 2.27 2.36 0.00 *89 F 7.75 4.53 0.00 3.01 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 90 R 8.79 5.17 0.00 1.82 1.80 0.00 3.22 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 91 V 8.82 4.51 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 0.68 0.00 0.00 0.95 0.00 0.00 92 D 8.72 4.65 0.00 2.78 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 93 V 8.40 3.55 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 0.86 0.00 0.00 0.98 0.00 0.00 94 R 8.32 3.99 0.00 1.95 2.02 0.00 3.27 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 95 D 8.50 4.56 0.00 2.69 2.72 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 0.00 0.00 0.00 96 V 7.90 3.99 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 0.79 0.00 0.00 0.93 0.00 0.00 97 V 7.26 3.56 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 0.96 0.00 0.00 98 E 8.58 4.22 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 99 E 8.56 3.72 0.00 2.07 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 2.19 2.26 0.00 100 A 8.09 4.53 1.35 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 0.00 0.00 101 D 7.88 4.66 0.00 2.70 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 0.00 102 D 7.99 4.71 0.00 2.76 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 0.00 103 A 7.28 4.48 1.22 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 0.00 0.00 104 D 8.66 4.46 0.00 2.58 2.56 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 0.00 0.00 0.00 0.00 105 Y 6.81 4.69 0.00 3.16 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 0.00 106 V 8.80 4.68 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 0.86 0.00 0.00 0.92 0.00 0.00 107 K 9.36 4.73 0.00 2.03 1.64 0.00 1.90 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.52 7.81 108 V 8.31 4.58 1.69 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 0.97 0.00 0.00 0.72 0.00 0.00 109 L 9.34 4.55 0.00 1.75 1.56 0.92 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 110 G 7.72 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 0.00 111 A 8.05 4.60 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 0.00 112 G 8.95 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 8.13 4.47 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 114 V 7.96 4.38 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 0.99 0.00 0.00 0.95 0.00 0.00 115 R 8.81 4.65 0.00 1.62 1.79 0.00 3.22 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 116 H 7.64 4.78 0.00 3.14 3.31 0.00 5.69 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 0.00 117 E 8.87 4.58 0.00 1.92 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 118 L 8.64 5.06 0.00 1.61 1.59 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.90 5.23 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 0.00 120 L 8.34 5.30 0.00 1.85 1.81 1.07 0.82 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 0.00 121 I 8.82 5.76 1.94 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 1.17 1.78 1.03 0.00 0.00 122 A 8.78 5.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.66 4.52 0.00 2.77 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 0.00 124 D 7.20 4.62 0.00 2.51 2.35 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 0.00 125 F 8.81 5.41 0.00 2.87 2.93 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 0.00 126 S 8.43 4.62 0.00 3.94 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 0.00 127 E 9.24 4.01 0.00 2.07 2.03 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 2.40 2.42 0.00 128 G 8.20 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.06 4.07 1.58 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 0.00 0.00 130 R 8.00 3.77 0.00 2.04 1.94 0.00 3.17 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 131 E 8.26 3.93 0.00 2.02 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 2.34 2.54 0.00 132 K 8.06 4.01 0.00 1.90 1.87 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.65 7.81 133 V 7.89 3.75 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 1.09 0.00 0.00 1.08 0.00 0.00 134 E 8.25 4.86 0.00 1.99 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 2.28 2.35 0.00 135 G 8.13 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.29 4.69 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.44 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.96 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.85 5.05 0.00 3.82 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 0.00 140 V 8.13 4.23 1.66 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 -1.00 0.00 0.00 0.54 0.00 0.00 141 E 9.28 4.45 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 142 L 8.39 5.13 0.00 1.66 1.60 1.27 1.09 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 0.00 143 T 8.71 4.08 4.34 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 1.27 0.00 0.00 144 D 8.74 4.67 0.00 2.72 2.72 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 0.00 0.00 0.00 145 L 8.18 3.91 0.00 1.69 1.81 1.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.43 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 4.34 0.00 2.19 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 2.33 2.52 0.00 148 E 7.41 4.65 0.00 2.00 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 2.21 2.53 0.00 149 R 7.65 4.23 0.00 1.79 1.89 0.00 3.34 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 150 Q 8.11 4.33 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.