NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 5.0830 8.3116 119.9342 54.3556 41.9695 174.1509 2 V 3.9945 8.9957 126.1643 61.5530 32.1123 173.2860 3 Y 4.8792 9.5186 127.1026 56.7540 40.7167 174.5881 4 H 4.7690 9.0708 121.0024 53.7812 31.3087 172.8835 5 D 4.6297 8.8309 122.7917 55.7193 41.9771 176.8618 6 G 4.0359 9.7401 111.3370 44.7259 0.0000 172.7920 7 A 4.3492 7.9778 121.5245 51.2812 19.0709 178.2540 8 C 4.1627 8.3700 117.2699 56.0624 40.7984 172.6625 9 P 4.5037 0.0000 0.0000 62.4813 31.6677 175.4794 10 E 4.2164 8.4361 120.2940 55.6097 30.3841 175.8167 11 V 4.3285 8.0586 124.6363 60.5678 33.7542 174.8077 12 K 4.1588 8.5679 128.5574 55.4766 32.5180 174.6589 13 P 4.4973 0.0000 0.0000 61.8860 32.3649 176.6160 14 V 3.9282 7.5936 115.7686 61.8183 32.0245 176.3755 15 D 5.1065 8.5584 117.9221 53.0475 39.9250 175.6568 16 N 5.0838 8.0334 115.0151 52.6560 38.1456 174.0585 17 F 4.1009 8.6703 122.0164 59.1837 39.9457 173.4015 18 D 4.9034 7.9542 127.3851 51.8940 41.6537 176.4898 19 W 3.9892 8.8179 128.3413 59.5630 29.2748 178.7604 20 S 4.3424 8.2853 112.0941 60.6473 62.7177 175.5961 21 Q 3.9155 7.5478 120.7240 58.4741 28.5211 175.1580 22 Y 4.5401 6.9509 116.2462 56.6545 36.2502 173.9561 23 H 5.2591 8.4691 117.4751 55.1958 32.1321 176.1977 24 G 3.8384 9.2203 109.1922 44.8511 0.0000 171.2401 25 K 4.7315 8.4298 121.5249 55.0550 33.1708 177.2979 26 W 4.9546 9.0952 127.6051 54.7222 32.4709 174.5413 27 W 4.9888 9.8048 124.3845 55.4480 31.0003 175.6593 28 Q 5.0766 9.7083 127.0135 55.4484 26.7898 175.5363 29 V 4.3056 9.1760 117.9602 63.4074 33.1324 175.3697 30 A 5.4109 8.1072 119.7657 51.9477 22.4596 174.8260 31 A 4.8816 8.1090 118.8508 50.9073 22.8654 175.5877 32 Y 4.6137 8.4878 117.5701 57.9733 38.8027 176.1893 33 P 4.2763 0.0000 0.0000 66.1880 31.4330 178.8444 34 D 4.4782 8.2263 116.8989 57.4229 40.6660 178.2078 35 H 4.2626 8.2119 118.5629 59.1628 30.0642 177.2184 36 I 3.9260 7.8981 121.7437 64.5376 36.6774 178.5791 37 T 3.7401 8.0397 115.9875 66.6183 68.4402 176.5519 38 K 3.7360 7.5708 118.8469 58.7337 32.0765 177.5215 39 Y 4.4140 7.9976 112.6969 57.0519 39.1652 176.5544 40 G 3.8890 8.1225 105.7303 45.1237 0.0000 173.4447 41 K 4.3101 8.4883 118.9753 56.3637 34.0739 175.8199 42 C 4.3746 8.6761 113.1532 58.0673 34.4553 173.6326 43 G 4.2509 8.2848 106.9520 45.8956 0.0000 173.6317 44 W 5.8883 8.9302 120.4261 55.2896 32.4072 173.3501 45 A 5.0552 9.2907 121.3407 50.4194 22.5630 174.6112 46 E 4.8813 9.3489 123.0788 54.9322 31.6451 174.1456 47 Y 5.5233 8.9188 125.2871 56.8552 40.7663 174.9132 48 T 4.9153 9.0177 120.2335 61.0345 71.6696 171.8717 49 P 4.8273 0.0000 0.0000 62.9671 32.1780 177.3337 50 E 4.6034 9.0477 122.8754 55.7186 32.1786 176.7990 51 G 3.8520 7.8954 116.6117 46.9228 0.0000 173.6769 52 K 4.2194 8.4447 120.1218 54.6712 31.6087 174.7062 53 S 4.3323 7.0418 112.8159 57.9075 67.3144 175.8181 54 V 4.9888 8.4978 119.5110 61.0286 34.9271 173.9948 55 K 4.7783 9.2795 129.1853 55.7094 33.9842 175.3474 56 V 4.9818 8.9451 126.9289 61.2952 34.5673 174.1156 57 S 5.2035 9.3337 124.4793 56.8731 65.6555 172.9938 58 R 4.7488 9.1241 126.5032 54.5055 32.4600 173.7209 59 Y 4.1285 7.7284 128.5876 56.4543 40.2884 174.3287 60 S 4.6425 7.4374 119.4094 57.5015 67.4634 172.9140 61 V 4.6030 8.7900 120.5407 61.2110 33.3103 174.2532 62 I 4.5014 8.7757 128.9566 60.3472 40.3639 175.7556 63 H 4.1227 9.7325 124.3025 56.8203 26.3290 175.7774 64 G 3.9662 8.5460 105.8307 45.0697 0.0000 173.6536 65 K 4.5128 8.0200 121.5158 53.9962 34.4402 175.0223 66 E 4.3657 8.3672 125.1575 56.7333 30.4278 175.8470 67 Y 4.5087 8.4197 119.8571 56.3028 42.7373 174.0003 68 F 5.3439 8.8994 121.6478 55.9566 40.9766 175.1834 69 S 5.2471 9.5553 118.7060 55.7551 65.8167 172.6152 70 E 5.0861 8.5997 120.4406 55.0288 32.1511 175.1237 71 G 4.5684 8.7771 109.3266 46.2081 0.0000 171.4487 72 T 5.4549 8.7961 108.5643 60.2232 72.7938 172.8126 73 A 5.5106 9.4217 123.0807 50.8702 23.0438 174.7737 74 Y 4.9574 9.6744 117.3697 55.4869 42.8571 173.1492 75 P 4.8950 0.0000 0.0000 62.8972 32.5574 175.8055 76 V 4.0309 8.3140 122.6001 61.1190 32.4130 176.2658 77 G 3.5797 8.8776 119.2088 46.3314 0.0000 173.9564 78 D 4.4015 8.5757 125.3072 53.8155 41.4570 177.0320 79 S 4.3148 8.8724 122.0335 61.3831 63.1967 176.5421 80 K 4.7393 8.6906 119.5074 58.0888 31.8542 178.1118 81 I 4.6127 7.4334 110.5573 59.6972 38.0987 175.8499 82 G 3.2521 7.8847 109.6218 46.4544 0.0000 172.9326 83 K 4.7072 7.7406 120.9089 53.9169 34.0223 174.9422 84 I 4.7812 8.3115 128.9025 59.4364 40.0301 174.3058 85 Y 4.9142 9.0374 130.0446 57.6604 40.0858 174.0303 86 H 5.4908 8.8510 121.4053 53.8435 32.6072 172.2686 87 S 5.1669 8.9037 114.8188 57.0289 66.7355 172.3470 88 Y 5.2507 8.3736 117.8240 56.4709 41.4818 173.6838 89 T 5.0204 8.2768 119.2567 60.9044 71.8089 173.9516 *92 G 3.5477 8.4151 111.6974 46.4040 0.0000 170.2436 93 V 3.0947 8.0990 125.7513 62.4974 29.1163 170.6292 94 T 4.3073 8.0081 122.4278 62.8518 69.4729 174.5078 95 Q 4.6956 8.4360 124.3071 54.0276 32.9434 174.0720 96 E 4.8324 8.2205 118.1135 55.1350 33.4437 174.3401 97 G 4.0528 7.5087 105.2635 46.4033 0.0000 171.7920 98 V 5.2560 8.7948 118.9771 61.0778 34.4426 175.1055 99 F 5.4158 9.1620 121.7523 55.2921 41.7827 173.1071 100 N 5.3429 9.1090 115.6352 51.3055 42.3066 174.1486 101 V 3.9628 8.4377 122.8709 62.4908 31.9666 176.7160 102 L 4.0739 8.6919 129.5449 57.5594 42.2120 177.5025 103 S 4.5439 7.4101 110.8932 57.6736 65.7079 173.1642 104 T 4.0174 8.2082 117.8405 61.2403 69.7657 172.7623 105 D 4.6595 6.8996 124.8575 52.2631 39.9076 176.0138 106 N 4.0485 7.7274 115.7734 53.8313 36.6498 174.1068 107 K 4.9042 7.8794 117.7508 57.9709 40.3500 175.3118 108 N 5.0698 8.9348 114.9418 53.5538 41.4983 173.4709 109 Y 5.8092 7.9370 115.0034 56.0474 41.8811 173.6661 110 I 4.9262 9.3621 120.1899 59.6532 42.2212 173.5719 111 I 4.6587 8.8945 130.0623 59.5928 39.4153 174.9151 112 G 3.2752 7.6378 114.6999 44.3983 0.0000 171.5820 113 Y 5.2783 8.1766 121.9880 55.6351 42.9806 173.6431 114 F 4.9270 9.1371 127.8673 56.5333 42.8571 172.3672 115 C 5.1275 7.6819 125.1016 54.8229 47.9942 173.2708 116 S 4.2665 8.6439 119.0673 57.6514 65.0962 173.0230 117 Y 5.2816 8.6826 130.0305 55.8386 40.7314 174.3596 *120 D 4.2256 8.2477 116.7809 52.4080 39.2996 174.2005 121 K 3.7263 8.1763 126.8480 57.2292 32.7219 176.8864 122 K 4.4372 8.5182 123.1066 56.7957 32.5593 176.1641 123 G 4.9224 7.4029 107.1598 45.0577 0.0000 172.0882 124 H 5.5593 8.9332 114.2955 53.9355 32.1940 172.3295 125 M 4.8362 8.7422 119.5224 53.9150 34.5655 174.0939 126 D 5.6439 8.7979 124.4996 52.6215 43.9281 175.4631 127 L 5.1430 9.3682 122.1285 53.0509 45.3955 175.7004 128 V 4.8602 8.0946 122.4866 60.7563 34.9366 174.0320 129 W 5.5948 8.2267 123.1383 54.9047 32.5487 173.7638 130 V 4.8883 9.1056 120.8923 61.3414 33.7813 174.3336 131 L 5.6555 9.0784 127.7935 53.6722 44.5594 175.5200 132 S 5.9023 9.4696 115.3671 56.0959 65.7514 174.7850 133 R 3.1439 8.3010 126.0902 58.3097 30.3840 176.6902 134 S 4.6110 7.5780 112.4925 56.1835 64.6857 173.6870 135 M 2.6338 7.8246 123.0879 57.3843 31.7701 176.4632 136 V 4.4740 7.0489 115.6853 60.3408 34.5026 174.6190 137 L 4.2288 8.6031 126.5408 54.7897 41.9008 176.5730 138 T 4.6362 8.1784 113.6869 60.6184 72.8803 173.7234 139 G 3.8229 8.8826 113.6628 46.4591 0.0000 174.4805 140 E 4.2630 9.5842 124.3562 59.5042 29.5011 176.9009 141 A 4.1147 7.9527 119.7558 55.1169 18.5319 179.2601 142 K 3.8771 7.9898 117.6624 59.9579 32.2169 179.0144 143 T 3.9233 9.0277 117.0045 66.3769 68.4331 176.5474 144 A 4.0184 8.0610 122.7507 55.1814 18.5696 179.9181 145 V 3.2673 7.8261 117.0185 66.0493 31.3835 177.7144 146 E 4.0735 8.5181 117.9665 60.0220 29.3894 179.1406 147 N 4.5092 8.2122 115.9999 56.2671 38.2071 176.9643 148 Y 4.0169 7.9968 120.5786 60.5180 38.6286 178.0726 149 L 4.1145 7.4133 117.9404 57.5307 41.6904 179.2410 150 I 3.9827 7.1524 118.1956 63.6727 37.1392 177.0609 151 G 3.8322 6.8081 106.2527 45.0934 0.0000 173.3629 152 S 3.9487 7.3659 115.8895 57.3268 62.6756 172.8476 153 P 4.5873 0.0000 0.0000 63.6789 31.3353 176.7009 154 V 4.3353 7.1654 113.6330 62.7058 35.4435 174.6948 155 V 3.9800 8.4091 120.9232 61.7564 32.0585 174.6197 156 D 4.7558 9.2845 128.3878 52.4609 40.7072 176.8830 157 S 4.3471 8.5860 122.9818 61.2452 63.3536 176.7701 158 Q 4.1573 8.0414 119.3505 58.3624 28.5601 177.4496 159 K 4.0618 8.0488 118.3665 58.4689 32.4722 177.1984 160 L 4.4530 7.5524 117.4907 54.9199 42.4957 176.8356 161 V 4.3641 8.5702 123.0813 61.4800 33.3280 174.2596 162 Y 4.6831 8.7077 125.8717 57.4918 38.8274 175.7794 163 S 4.2715 9.1718 120.0475 58.2468 64.1574 173.9924 164 D 4.5885 8.1136 120.9269 52.7594 41.7804 174.6568 165 F 4.7048 8.5688 123.8326 57.6859 38.3052 177.5363 166 S 4.2175 7.6154 118.2328 59.3992 62.7490 175.7852 167 E 3.2795 7.4500 117.1002 61.1937 30.5381 179.7634 *170 C 4.7161 7.9544 119.9848 55.5456 42.9969 174.0543 171 K 4.0359 7.4395 124.4834 56.0478 33.9626 174.1033 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 D 8.31 5.08 0.00 2.86 2.80 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 2 V 9.00 3.99 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 0.67 0.00 0.00 0.91 0.00 0.00 3 Y 9.52 4.88 0.00 2.86 2.86 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 4 H 9.07 4.77 0.00 2.77 3.19 0.00 5.85 0.00 0.00 0.00 0.00 6.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.83 4.63 0.00 2.65 2.68 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 6 G 9.74 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 7 A 7.98 4.35 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 C 8.37 4.16 0.00 2.92 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 9 P 0.00 4.50 0.00 2.17 2.06 0.00 3.76 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 10 E 8.44 4.22 0.00 1.94 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 2.29 0.00 11 V 8.06 4.33 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 0.89 0.00 0.00 0.99 0.00 0.00 12 K 8.57 4.16 0.00 1.77 1.74 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.47 7.81 13 P 0.00 4.50 0.00 2.09 1.95 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 14 V 7.59 3.93 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 0.86 0.00 0.00 1.04 0.00 0.00 15 D 8.56 5.11 0.00 2.74 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 16 N 8.03 5.08 0.00 2.81 2.89 0.00 0.00 6.11 7.43 0.00 0.00 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 F 8.67 4.10 0.00 3.09 3.32 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 18 D 7.95 4.90 0.00 2.66 2.42 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 19 W 8.82 3.99 0.00 3.47 3.38 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 20 S 8.29 4.34 0.00 4.02 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 21 Q 7.55 3.92 0.00 0.93 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.03 0.00 0.00 0.00 0.00 0.00 2.33 2.18 0.00 22 Y 6.95 4.54 0.00 2.53 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 0.00 0.00 0.00 0.00 23 H 8.47 5.26 0.00 3.29 3.38 0.00 5.76 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 24 G 9.22 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 0.00 0.00 0.00 25 K 8.43 4.73 0.00 1.67 1.44 0.00 0.89 0.00 0.00 0.83 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.43 0.74 7.81 26 W 9.10 4.95 0.00 3.28 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 27 W 9.80 4.99 0.00 3.28 3.02 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 28 Q 9.71 5.08 0.00 2.22 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 7.01 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 29 V 9.18 4.31 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 1.03 0.00 0.00 1.20 0.00 0.00 30 A 8.11 5.41 0.54 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 0.00 0.00 31 A 8.11 4.88 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 Y 8.49 4.61 0.00 2.97 2.91 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 33 P 0.00 4.28 0.00 2.17 2.13 0.00 3.64 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 34 D 8.23 4.48 0.00 2.83 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 35 H 8.21 4.26 0.00 3.35 3.54 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.90 3.93 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.00 0.90 0.00 0.00 37 T 8.04 3.74 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 38 K 7.57 3.74 0.00 1.20 0.74 0.00 1.50 0.00 0.00 1.46 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.17 1.34 7.81 39 Y 8.00 4.41 0.00 2.60 2.46 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 40 G 8.12 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 41 K 8.49 4.31 0.00 1.92 1.94 0.00 1.45 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.41 7.81 42 C 8.68 4.37 0.00 3.40 3.67 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 43 G 8.28 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 0.00 0.00 0.00 0.00 44 W 8.93 5.89 0.00 2.97 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 45 A 9.29 5.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.35 4.88 0.00 2.37 1.94 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 2.30 2.39 0.00 47 Y 8.92 5.52 0.00 3.08 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 T 9.02 4.92 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 1.27 0.00 0.00 49 P 0.00 4.83 0.00 2.00 2.08 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 50 E 9.05 4.60 0.00 1.98 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 2.24 2.28 0.00 51 G 7.90 3.85 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 0.00 0.00 0.00 52 K 8.44 4.22 0.00 1.70 1.62 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.37 7.81 53 S 7.04 4.33 0.00 2.72 3.32 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 54 V 8.50 4.99 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 1.06 0.00 0.00 1.08 0.00 0.00 55 K 9.28 4.78 0.00 1.88 1.83 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.45 7.81 56 V 8.95 4.98 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 1.08 0.00 0.00 1.24 0.00 0.00 57 S 9.33 5.20 0.00 3.81 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 58 R 9.12 4.75 0.00 1.75 1.68 0.00 2.90 0.00 0.00 2.83 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.51 0.00 59 Y 7.73 4.13 0.00 1.43 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.44 4.64 0.00 3.90 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 61 V 8.79 4.60 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 1.03 0.00 0.00 0.95 0.00 0.00 62 I 8.78 4.50 1.70 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.60 0.62 0.00 0.00 63 H 9.73 4.12 0.00 3.27 3.33 0.00 5.72 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 64 G 8.55 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 0.00 0.00 0.00 65 K 8.02 4.51 0.00 1.76 1.93 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.60 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.45 1.08 7.81 66 E 8.37 4.37 0.00 1.69 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 0.00 2.38 2.31 0.00 67 Y 8.42 4.51 0.00 2.75 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 68 F 8.90 5.34 0.00 2.91 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 69 S 9.56 5.25 0.00 4.06 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 70 E 8.60 5.09 0.00 2.07 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 0.00 2.30 2.31 0.00 71 G 8.78 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.80 5.45 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 73 A 9.42 5.51 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 74 Y 9.67 4.96 0.00 2.90 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.89 0.00 1.84 1.68 0.00 3.44 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 1.48 0.55 0.00 76 V 8.31 4.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.02 0.00 0.00 77 G 8.88 3.58 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 0.00 78 D 8.58 4.40 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.87 4.31 0.00 4.23 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 80 K 8.69 4.74 0.00 2.08 2.13 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.41 7.81 81 I 7.43 4.61 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.65 0.94 0.00 0.00 82 G 7.88 3.25 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 0.00 83 K 7.74 4.71 0.00 1.81 1.83 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.43 7.81 84 I 8.31 4.78 0.56 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.05 0.77 0.00 0.00 85 Y 9.04 4.91 0.00 3.10 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 86 H 8.85 5.49 0.00 3.31 3.40 0.00 5.27 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.90 5.17 0.00 3.86 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 88 Y 8.37 5.25 0.00 3.06 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 89 T 8.28 5.02 4.37 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 1.28 0.00 0.00 *92 G 8.42 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 93 V 8.10 3.09 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 0.87 0.00 0.00 0.90 0.00 0.00 94 T 8.01 4.31 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 95 Q 8.44 4.70 0.00 0.93 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.65 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 96 E 8.22 4.83 0.00 1.86 1.83 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 2.17 2.37 0.00 97 G 7.51 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 0.00 0.00 0.00 98 V 8.79 5.26 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 0.93 0.00 0.00 1.09 0.00 0.00 99 F 9.16 5.42 0.00 3.56 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 0.00 100 N 9.11 5.34 0.00 2.71 2.68 0.00 0.00 7.05 7.06 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 0.00 101 V 8.44 3.96 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.26 0.00 0.00 102 L 8.69 4.07 0.00 1.20 1.38 0.68 0.69 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 0.00 103 S 7.41 4.54 0.00 2.72 3.25 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 0.00 104 T 8.21 4.02 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 1.34 0.00 0.00 105 D 6.90 4.66 0.00 2.83 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 0.00 106 N 7.73 4.05 0.00 2.81 2.80 0.00 0.00 6.63 6.90 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 0.00 107 K 7.88 4.90 0.00 1.66 1.76 0.00 1.54 0.00 0.00 2.36 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.39 7.81 108 N 8.93 5.07 0.00 3.02 2.89 0.00 0.00 6.66 6.89 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 0.00 109 Y 7.94 5.81 0.00 3.29 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 0.00 110 I 9.36 4.93 2.00 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 1.13 1.38 0.96 0.00 0.00 111 I 8.89 4.66 1.62 0.00 0.00 0.79 0.00 0.00 0.00 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0.00 0.00 130 V 9.11 4.89 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 1.12 0.00 0.00 0.90 0.00 0.00 131 L 9.08 5.66 0.00 1.98 2.13 1.20 0.75 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 0.00 132 S 9.47 5.90 0.00 4.08 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 0.00 133 R 8.30 3.14 0.00 1.04 1.59 0.00 3.03 0.00 0.00 2.83 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.90 0.00 134 S 7.58 4.61 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 0.00 135 M 7.82 2.63 0.00 1.14 0.57 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 2.19 0.00 136 V 7.05 4.47 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 0.88 0.00 0.00 0.90 0.00 0.00 137 L 8.60 4.23 0.00 1.72 1.63 1.05 0.90 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 0.00 138 T 8.18 4.64 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 1.18 0.00 0.00 139 G 8.88 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 0.00 140 E 9.58 4.26 0.00 2.06 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 2.44 2.44 0.00 141 A 7.95 4.11 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 0.00 142 K 7.99 3.88 0.00 1.82 2.03 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.49 7.81 143 T 9.03 3.92 4.35 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 1.22 0.00 0.00 144 A 8.06 4.02 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.83 3.27 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 1.02 0.00 0.00 0.29 0.00 0.00 146 E 8.52 4.07 0.00 2.09 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 2.35 2.49 0.00 147 N 8.21 4.51 0.00 2.84 2.88 0.00 0.00 6.71 7.52 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 0.00 148 Y 8.00 4.02 0.00 3.29 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 0.00 149 L 7.41 4.11 0.00 1.74 1.75 1.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 150 I 7.15 3.98 1.80 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 1.42 0.59 0.87 0.00 0.00 151 G 6.81 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 0.00 152 S 7.37 3.95 0.00 3.63 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 0.00 153 P 0.00 4.59 0.00 2.04 2.04 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 154 V 7.17 4.34 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.73 0.00 0.00 155 V 8.41 3.98 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 0.89 0.00 0.00 0.89 0.00 0.00 156 D 9.28 4.76 0.00 2.74 2.55 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 0.00 157 S 8.59 4.35 0.00 4.13 4.16 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 0.00 158 Q 8.04 4.16 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.06 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 159 K 8.05 4.06 0.00 1.57 1.81 0.00 1.36 0.00 0.00 0.61 0.00 0.00 2.31 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.72 1.09 7.81 160 L 7.55 4.45 0.00 1.78 1.36 0.94 0.77 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 0.00 161 V 8.57 4.36 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 0.99 0.00 0.00 0.97 0.00 0.00 162 Y 8.71 4.68 0.00 2.93 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 0.00 163 S 9.17 4.27 0.00 2.99 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 D 8.11 4.59 0.00 2.55 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 F 8.57 4.70 0.00 3.04 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 0.00 166 S 7.62 4.22 0.00 4.18 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 0.00 167 E 7.45 3.28 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 2.42 2.41 0.00 *170 C 7.95 4.72 0.00 3.17 3.38 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 0.00 171 K 7.44 4.04 0.00 1.92 1.92 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.28 1.15 7.81 * Residues marked with a * may have inaccurate shift predictions.