NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.1470 8.0249 121.4529 60.1401 38.6702 175.2385 6 P 4.0892 0.0000 0.0000 61.7282 31.6998 175.7331 7 K 3.9592 8.6563 124.8149 59.3472 33.1733 177.4644 8 I 3.8532 7.5807 110.5459 62.5346 37.9607 175.8353 9 I 3.9502 7.3484 123.0946 60.0266 37.3219 174.7361 10 P 4.5561 0.0000 0.0000 61.7171 33.5705 175.2928 11 P 4.2423 0.0000 0.0000 65.9065 31.2221 178.4794 12 E 3.9505 8.1822 117.5340 59.2941 29.4638 178.5444 13 L 4.0252 7.8621 119.8965 57.7260 42.2232 178.3747 14 L 3.9363 7.9756 120.5778 57.9712 42.0216 178.7955 15 K 3.8998 8.1540 119.5102 59.5557 31.8942 178.8564 16 V 3.9477 7.5554 117.1679 66.2288 31.5848 177.6929 17 L 4.2970 8.0599 117.6727 58.0797 41.5017 179.0494 18 C 4.3635 8.0060 116.2895 61.7873 29.4976 175.2187 19 E 4.2587 7.9856 120.5471 55.5824 26.6847 175.1866 *21 G 3.5511 7.6601 111.9668 45.8730 0.0000 168.7147 22 H 4.3803 8.4026 119.2113 57.9163 29.7847 175.7393 23 G 3.9246 8.9507 116.9366 45.0897 0.0000 173.3257 24 D 4.5854 7.8948 119.7961 54.6108 42.1248 175.5239 25 Q 5.4508 8.7612 119.7614 54.0788 32.5839 174.4016 26 L 5.3032 8.9093 121.6884 53.9593 44.5916 175.1393 27 V 4.6169 8.4237 119.7024 61.2104 34.3378 174.4896 28 I 4.3981 8.9365 129.4197 60.1933 38.1365 174.4651 29 A 4.4059 8.7999 130.9837 50.4156 20.6073 176.7717 30 D 4.8957 8.5604 122.3496 52.5173 41.0911 177.6055 31 G 3.6993 9.1539 107.8459 48.3062 0.0000 174.6523 32 N 4.5627 7.9742 115.4262 54.2484 39.0689 175.3911 33 F 4.3885 7.9648 121.4818 57.2006 40.5071 174.3565 34 P 4.4649 0.0000 0.0000 61.8116 29.7468 176.5255 35 A 4.3882 8.0706 128.5510 56.1430 19.2745 180.2412 36 E 4.0424 8.2130 114.6260 59.3557 29.8286 179.2391 37 S 4.2498 7.8788 113.8947 61.5274 63.4653 176.4111 38 I 3.8581 7.8294 123.8797 63.4316 36.6867 177.5112 39 G 4.1082 8.1205 107.8954 45.2770 0.0000 175.7597 40 K 3.8694 7.8003 121.8990 59.2214 32.4879 177.4279 41 N 4.6407 8.1164 113.7403 52.7293 38.6856 173.4098 42 A 4.7237 7.7067 120.6197 49.8495 22.6577 175.8546 43 I 4.0198 7.8895 119.3132 60.6568 38.3797 175.7082 44 V 4.6905 8.3386 127.5254 61.2083 33.0974 174.7125 45 V 4.3780 8.4798 128.2756 61.1967 33.5649 175.7133 46 R 4.4166 8.4898 126.8482 56.0258 31.2499 175.9205 *48 D 4.6024 8.6695 118.4108 54.2321 43.3886 177.5553 49 G 3.9711 8.1398 102.8487 46.4652 0.0000 173.4525 50 H 5.2371 8.0338 117.3107 53.4026 32.1780 173.6006 51 G 4.4602 9.0323 109.6531 43.4266 0.0000 175.4875 52 G 4.1678 8.6593 108.6431 47.1364 0.0000 176.2810 53 G 3.8300 8.2349 108.0366 47.6882 0.0000 175.4419 54 E 4.0103 8.2083 120.3903 58.8585 29.6274 179.0215 55 I 3.6030 7.6119 120.5949 64.0228 37.1491 177.9595 56 L 3.8139 8.1564 121.3948 58.0401 41.7503 178.7163 57 K 3.8652 8.3306 119.4375 59.6464 31.8698 178.4500 58 A 3.9955 7.7316 119.4505 55.2521 18.5560 179.4267 59 I 3.7638 7.8194 118.2665 64.5399 36.9819 178.7633 60 L 4.1907 8.0679 119.0100 57.6370 41.4178 179.3413 61 T 4.0718 7.6002 109.1346 63.8444 68.6776 175.1610 62 V 4.3279 7.8171 111.6086 60.4232 33.3237 174.9575 63 F 4.6866 8.0155 121.9234 55.3250 41.2115 172.1335 64 P 4.5673 0.0000 0.0000 62.4999 32.6927 175.3674 65 L 4.7810 8.4347 122.9917 53.8497 42.8000 176.1708 66 D 4.5441 8.7781 123.9208 55.3142 41.2817 176.3959 67 T 4.4001 8.9354 114.5765 62.3020 69.5750 174.6878 68 Y 4.3014 8.6875 119.4625 58.5792 38.3712 175.4721 69 V 4.6456 7.3705 112.1820 59.3429 35.4094 175.4287 70 D 4.5506 8.7057 121.5518 56.5828 41.0602 177.1274 71 K 4.6954 7.5420 117.6620 53.6964 32.4404 173.8171 72 P 4.5694 0.0000 0.0000 63.8477 33.0229 176.0070 73 A 5.2574 8.1436 123.5546 50.5095 21.8668 175.5798 74 T 4.9557 8.8566 118.1004 60.7537 72.4654 172.3909 75 L 4.9617 8.8747 127.7869 54.6529 42.8826 178.9405 *77 E 4.4284 8.8512 126.0331 56.6624 30.3365 174.6458 78 K 2.8385 8.4716 122.5314 55.7051 32.8874 177.2658 79 V 3.7046 8.1641 122.5919 62.1489 32.0288 173.7437 80 P 4.3348 0.0000 0.0000 64.5690 31.6299 174.9064 81 G 4.1169 9.1229 110.3537 45.6709 0.0000 173.4249 82 D 4.5042 7.8481 120.1063 53.8162 42.2328 176.4438 *84 V 3.8447 7.9182 119.3582 60.2151 33.1058 176.4878 85 A 4.1313 8.2354 124.6666 52.3013 19.6835 177.8297 86 T 4.3394 7.5229 108.1189 59.1901 68.6748 173.5798 87 P 4.2247 0.0000 0.0000 66.3059 31.7297 178.0531 88 I 3.5409 7.5639 118.0579 63.4330 37.7685 177.5637 89 W 4.4159 8.0807 120.2614 59.9504 28.7578 178.0910 90 D 4.4676 8.1815 118.4377 56.9578 40.1539 178.9883 91 V 3.5824 7.5974 118.4839 66.2309 31.5311 177.2504 92 Y 4.4930 8.2303 116.6653 61.3501 37.7098 178.7735 93 A 4.1691 8.4495 121.5547 55.2669 18.3072 179.8619 94 G 3.6345 8.2855 103.3095 48.0128 0.0000 175.6079 95 L 4.2454 8.3219 121.3631 57.6173 41.7006 179.5943 96 I 3.7846 8.0229 119.8802 64.2777 37.0878 178.3035 97 K 4.3039 8.3805 120.5446 59.5673 31.6578 178.4105 98 E 3.9156 7.6737 118.0069 59.2549 29.4569 178.1079 99 H 4.8786 7.5090 111.2768 54.7889 30.6966 174.3622 100 D 4.7617 8.5006 123.0032 52.5886 43.4500 176.5426 101 E 4.1057 9.0770 122.9749 58.9370 30.1453 175.0495 102 R 4.1245 8.5954 116.8874 57.6969 31.4710 178.5788 103 G 3.7436 7.9697 106.4366 46.0130 0.0000 176.6091 104 A 4.0018 8.7468 126.4125 55.0097 18.1367 179.2845 105 D 4.4878 8.0601 113.9702 56.2468 41.1357 176.9986 106 A 4.4484 8.2208 121.9365 52.5763 19.0215 176.5300 107 I 4.7559 7.5831 117.9168 59.4602 38.8454 175.2860 108 G 4.5063 8.8938 115.4977 45.1084 0.0000 171.8541 109 S 5.2810 8.2772 112.5266 57.3452 65.9777 173.6142 110 L 4.9069 8.6430 119.9704 52.6695 45.6244 176.4656 111 E 4.1219 8.9618 122.9449 56.1155 30.6290 177.2193 112 R 3.5675 8.8186 124.5224 60.1408 29.9488 178.8194 113 F 4.2788 8.5987 116.3038 60.3148 39.0158 177.5219 114 A 4.1468 8.7206 120.7753 54.8850 18.0392 179.4592 115 F 3.8880 8.6703 119.6848 61.6671 39.5021 176.8362 116 Y 4.6512 8.0578 116.3360 61.4644 37.4932 178.6435 117 E 4.0617 8.2531 118.0973 59.5637 29.8817 178.9559 118 Q 4.0482 8.3375 119.3596 59.1308 29.1360 178.1245 119 A 4.0179 8.3632 122.1013 54.9051 18.2041 179.4908 120 K 4.3877 7.9306 117.1616 58.1461 32.1944 178.1158 121 N 4.6632 7.8042 115.0298 52.4501 39.2826 175.2539 122 A 4.2954 7.2896 124.2266 52.1459 19.3677 177.2013 123 Y 4.3230 8.9301 123.0348 60.4509 40.2142 175.4328 124 C 5.1191 7.9893 118.0750 57.6413 35.7150 172.7195 125 V 4.7108 8.7156 125.5289 61.2103 33.9034 174.1067 126 I 4.6377 9.0297 129.3922 59.9959 38.6220 175.0927 127 A 4.7130 8.9419 131.6336 50.9650 18.1581 176.9799 128 S 4.4066 8.8293 116.8684 58.2985 65.0257 174.3848 129 G 4.4515 8.4052 104.3895 45.1337 0.0000 173.6992 130 E 4.1032 8.3097 122.9089 56.3896 29.8366 177.7708 131 S 4.6125 8.6020 119.9829 59.1894 64.1773 174.5425 132 A 4.0430 8.2664 127.2882 52.6625 18.6084 177.9196 133 Q 4.1396 8.4212 120.2752 55.6347 29.0748 173.4832 134 Y 3.6502 7.7822 113.5569 59.8049 35.3008 170.6637 135 A 4.9552 8.1632 118.6180 51.9136 19.9456 178.2845 136 N 4.6583 8.0560 114.0170 53.7859 39.6607 174.6346 137 L 4.8013 8.8050 124.1968 53.9372 45.8989 174.4913 138 I 4.6368 8.8871 127.9679 60.1868 38.9641 174.6785 139 L 5.1566 8.8706 126.9747 52.9019 44.8099 175.0305 140 Q 5.0526 8.8375 124.6452 54.0384 31.3440 174.5324 141 K 3.7027 9.2737 129.1600 56.5316 33.3380 176.5560 142 G 3.9001 8.2136 115.6442 45.2620 0.0000 172.9283 143 V 3.6836 7.9388 119.7018 61.4623 32.6180 176.5712 144 V 3.9834 7.6481 125.4850 61.3250 32.0075 175.7599 145 F 4.3669 8.6914 125.1356 57.7911 38.9080 175.6744 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 5 I 8.02 4.15 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 1.42 1.07 0.92 0.00 0.00 6 P 0.00 4.09 0.00 2.25 1.99 0.00 3.61 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.14 0.00 7 K 8.66 3.96 0.00 1.72 1.85 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.45 7.81 8 I 7.58 3.85 1.63 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.62 0.88 0.00 0.00 9 I 7.35 3.95 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.51 0.91 0.00 0.00 10 P 0.00 4.56 0.00 2.27 2.18 0.00 3.70 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 11 P 0.00 4.24 0.00 2.18 2.16 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 12 E 8.18 3.95 0.00 2.03 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 2.38 0.00 13 L 7.86 4.03 0.00 1.79 1.77 0.91 0.50 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 14 L 7.98 3.94 0.00 1.83 1.81 0.94 0.38 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 15 K 8.15 3.90 0.00 1.90 2.03 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.48 7.81 16 V 7.56 3.95 2.31 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 1.07 0.00 0.00 1.05 0.00 0.00 17 L 8.06 4.30 0.00 1.85 1.86 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 18 C 8.01 4.36 0.00 3.11 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 19 E 7.99 4.26 0.00 2.10 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 2.67 2.27 0.00 *21 G 7.66 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 22 H 8.40 4.38 0.00 2.85 3.04 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 23 G 8.95 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 24 D 7.89 4.59 0.00 2.71 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 25 Q 8.76 5.45 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 26 L 8.91 5.30 0.00 1.77 1.74 0.67 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.42 4.62 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 0.71 0.00 0.00 0.87 0.00 0.00 28 I 8.94 4.40 1.71 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.29 0.87 0.00 0.00 29 A 8.80 4.41 1.09 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 30 D 8.56 4.90 0.00 3.00 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 31 G 9.15 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 32 N 7.97 4.56 0.00 2.86 2.86 0.00 0.00 6.95 8.17 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 33 F 7.96 4.39 0.00 3.19 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 34 P 0.00 4.46 0.00 1.94 1.93 0.00 2.56 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.29 0.00 35 A 8.07 4.39 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 36 E 8.21 4.04 0.00 1.94 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 2.33 2.31 0.00 37 S 7.88 4.25 0.00 3.97 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 38 I 7.83 3.86 2.11 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.01 1.15 0.00 0.00 39 G 8.12 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.80 3.87 0.00 1.85 2.04 0.00 1.58 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.41 7.81 41 N 8.12 4.64 0.00 2.73 2.87 0.00 0.00 6.64 7.35 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 42 A 7.71 4.72 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.89 4.02 1.62 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.21 0.85 0.00 0.00 44 V 8.34 4.69 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.01 0.00 0.00 45 V 8.48 4.38 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 0.98 0.00 0.00 0.92 0.00 0.00 46 R 8.49 4.42 0.00 1.75 2.07 0.00 3.47 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 *48 D 8.67 4.60 0.00 2.63 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 49 G 8.14 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 50 H 8.03 5.24 0.00 3.17 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 9.03 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 52 G 8.66 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.23 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 54 E 8.21 4.01 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 55 I 7.61 3.60 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 1.38 0.78 0.85 0.00 0.00 56 L 8.16 3.81 0.00 1.65 1.85 0.76 0.55 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 57 K 8.33 3.87 0.00 1.94 2.05 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.55 7.81 58 A 7.73 4.00 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 59 I 7.82 3.76 1.83 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.54 0.44 0.00 0.00 60 L 8.07 4.19 0.00 1.54 1.53 0.99 0.84 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 T 7.60 4.07 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 1.29 0.00 0.00 62 V 7.82 4.33 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 0.72 0.00 0.00 1.04 0.00 0.00 63 F 8.02 4.69 0.00 2.88 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.57 0.00 2.07 2.11 0.00 3.27 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 1.77 1.83 0.00 65 L 8.43 4.78 0.00 1.61 1.70 0.97 1.22 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 66 D 8.78 4.54 0.00 2.96 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 67 T 8.94 4.40 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 1.30 0.00 0.00 68 Y 8.69 4.30 0.00 3.16 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 69 V 7.37 4.65 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 0.79 0.00 0.00 0.99 0.00 0.00 70 D 8.71 4.55 0.00 2.67 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 K 7.54 4.70 0.00 1.68 1.77 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.38 7.81 72 P 0.00 4.57 0.00 2.16 2.48 0.00 3.87 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 73 A 8.14 5.26 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 74 T 8.86 4.96 4.15 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 1.21 0.00 0.00 75 L 8.87 4.96 0.00 1.08 0.22 -0.35 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 *77 E 8.85 4.43 0.00 1.88 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 2.20 2.33 0.00 78 K 8.47 2.84 0.00 1.52 1.39 0.00 1.55 0.00 0.00 1.37 0.00 0.00 2.48 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.40 1.05 7.81 79 V 8.16 3.70 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 1.12 0.00 0.00 1.07 0.00 0.00 80 P 0.00 4.33 0.00 2.11 2.03 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 81 G 9.12 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 0.00 0.00 0.00 82 D 7.85 4.50 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 *84 V 7.92 3.84 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 85 A 8.24 4.13 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.52 4.34 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 0.55 0.00 0.00 87 P 0.00 4.22 0.00 2.21 2.28 0.00 3.62 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 88 I 7.56 3.54 1.70 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 1.08 0.84 0.00 0.00 89 W 8.08 4.42 0.00 3.51 3.18 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 90 D 8.18 4.47 0.00 2.84 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 91 V 7.60 3.58 2.09 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 1.18 0.00 0.00 0.89 0.00 0.00 92 Y 8.23 4.49 0.00 3.22 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 93 A 8.45 4.17 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 94 G 8.29 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.32 4.25 0.00 1.96 1.80 1.07 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.02 3.78 2.05 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 0.69 1.01 0.00 0.00 97 K 8.38 4.30 0.00 2.06 2.01 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.55 7.81 98 E 7.67 3.92 0.00 2.24 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 99 H 7.51 4.88 0.00 3.22 3.37 0.00 5.60 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.50 4.76 0.00 2.62 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 0.00 101 E 9.08 4.11 0.00 2.02 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 2.23 1.92 0.00 102 R 8.60 4.12 0.00 2.05 2.03 0.00 3.25 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 103 G 7.97 3.74 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 0.00 0.00 0.00 104 A 8.75 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.06 4.49 0.00 2.85 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 0.00 106 A 8.22 4.45 1.38 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 0.00 0.00 107 I 7.58 4.76 1.91 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 1.22 0.68 0.84 0.00 0.00 108 G 8.89 4.51 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 0.00 0.00 0.00 109 S 8.28 5.28 0.00 3.73 3.62 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 0.00 0.00 0.00 0.00 110 L 8.64 4.91 0.00 1.71 1.65 0.88 0.78 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 0.00 111 E 8.96 4.12 0.00 2.02 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 2.46 2.34 0.00 112 R 8.82 3.57 0.00 1.79 1.77 0.00 3.11 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.03 0.00 113 F 8.60 4.28 0.00 3.36 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 0.00 114 A 8.72 4.15 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 0.00 0.00 115 F 8.67 3.89 0.00 3.17 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 0.00 116 Y 8.06 4.65 0.00 3.34 2.95 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 0.00 0.00 0.00 117 E 8.25 4.06 0.00 2.20 2.09 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 2.72 2.57 0.00 118 Q 8.34 4.05 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 119 A 8.36 4.02 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 0.00 120 K 7.93 4.39 0.00 1.97 1.92 0.00 1.72 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.60 7.81 121 N 7.80 4.66 0.00 2.91 2.86 0.00 0.00 6.93 7.51 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 0.00 122 A 7.29 4.30 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 0.00 123 Y 8.93 4.32 0.00 3.12 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 0.00 124 C 7.99 5.12 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 0.00 125 V 8.72 4.71 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 1.00 0.00 0.00 0.99 0.00 0.00 126 I 9.03 4.64 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.48 0.89 0.00 0.00 127 A 8.94 4.71 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 0.00 128 S 8.83 4.41 0.00 4.14 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 0.00 129 G 8.41 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.31 4.10 0.00 2.21 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 2.39 2.34 0.00 131 S 8.60 4.61 0.00 4.00 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 0.00 132 A 8.27 4.04 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 8.42 4.14 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.87 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 134 Y 7.78 3.65 0.00 3.31 3.42 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 0.00 135 A 8.16 4.96 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 0.00 136 N 8.06 4.66 0.00 2.11 2.53 0.00 0.00 6.72 7.85 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 0.00 137 L 8.80 4.80 0.00 1.41 1.16 0.83 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.89 4.64 1.69 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.23 0.85 0.00 0.00 139 L 8.87 5.16 0.00 1.37 1.62 0.60 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 8.84 5.05 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 141 K 9.27 3.70 0.00 1.44 1.59 0.00 1.33 0.00 0.00 1.52 0.00 0.00 2.59 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.94 0.21 7.81 142 G 8.21 3.90 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 0.00 0.00 0.00 143 V 7.94 3.68 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.21 0.00 0.00 144 V 7.65 3.98 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 0.84 0.00 0.00 0.80 0.00 0.00 145 F 8.69 4.37 0.00 3.08 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.