NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4094 8.3349 115.2893 58.3821 63.3851 173.3428 5 Q 4.2920 8.4230 123.3727 55.0513 30.1803 174.5746 6 A 4.1931 7.7639 122.7409 51.4207 20.2413 178.2310 7 L 3.7658 8.3036 122.8396 57.9236 42.3139 178.9782 8 S 4.4330 7.8472 110.6087 59.7636 63.0484 174.0205 9 D 4.6225 7.4741 120.1593 54.6294 41.5988 176.4144 10 D 4.4142 8.1070 119.9490 54.0775 41.6783 176.1007 11 I 3.7925 8.5451 128.3406 64.0740 38.0164 177.8676 12 G 3.5643 8.1826 106.2059 47.6439 0.0000 175.1318 13 F 4.1567 8.7810 123.6219 61.1192 39.2940 177.2773 14 L 3.8204 8.3284 118.5865 57.6817 41.3897 179.4278 15 L 3.9473 8.0610 119.0248 58.0265 41.5988 179.9006 16 S 4.0607 8.1067 115.0579 61.2885 62.5046 176.7330 17 R 3.5969 7.6103 120.7953 59.3943 29.9078 178.5037 18 V 3.6347 7.7289 117.0904 65.7259 31.7518 177.6935 19 G 3.9401 8.4271 106.1344 47.7230 0.0000 176.3562 20 G 3.8334 7.8028 104.7461 45.0567 0.0000 175.4077 *22 V 3.6068 7.6945 121.5261 62.4220 33.3911 177.5789 23 L 4.0993 8.0399 119.8056 57.6723 41.3439 179.7237 24 G 3.6352 8.2920 105.5780 47.8726 0.0000 175.6416 25 A 4.1036 7.9490 122.8787 54.6602 18.4215 179.8041 26 V 3.4866 8.1763 117.1510 66.2873 31.4506 177.9301 27 N 4.2837 8.3577 115.2587 56.3146 38.5821 177.2595 28 K 4.1045 8.0849 119.4635 59.4886 31.9743 179.3044 29 A 4.0235 7.9393 119.7940 55.0484 18.5307 179.1990 30 L 4.0522 8.2386 116.6269 56.1779 41.7070 179.2135 31 V 3.5711 7.4607 119.2487 65.9696 31.1628 176.2303 32 P 4.3559 0.0000 0.0000 65.2382 31.2520 178.0303 33 T 4.1646 8.0695 107.7977 62.1506 69.1141 175.9534 34 G 3.9037 7.9309 109.3119 45.5989 0.0000 173.4820 35 L 4.5636 7.6151 119.2509 53.7285 43.4460 175.8241 36 R 4.8195 8.5744 118.5912 53.3930 35.2226 176.6912 37 V 3.6993 8.6887 118.7238 66.7049 31.2508 178.2964 38 R 3.9509 7.9585 117.0681 59.3733 30.1372 179.0528 39 S 4.1524 8.0628 113.6216 61.5226 63.0836 175.5255 40 Y 4.1240 8.6869 123.4919 60.6498 38.4920 178.3027 41 S 4.0104 8.4157 116.1805 61.5967 62.8488 176.9375 42 V 3.5316 7.7493 120.8609 65.8012 31.2666 177.7939 43 L 3.8627 7.8955 120.1181 58.0659 41.6849 179.0877 44 V 3.4037 7.3822 117.2345 65.8840 31.8012 177.6509 45 L 4.0630 7.9967 118.5186 57.8712 41.5966 179.4754 46 A 4.0321 8.2544 120.7580 55.0383 18.0636 178.8877 47 C 4.3620 7.8442 113.4268 61.4499 28.4493 175.4790 48 E 4.0963 7.7874 120.2068 57.7681 29.4280 176.9631 49 Q 4.6896 7.1786 115.5217 53.4856 32.4346 176.2790 50 A 3.9969 8.6298 123.4733 55.3411 18.5374 179.2224 51 E 3.9292 8.0111 111.8998 57.6410 29.9495 177.0886 52 G 3.8858 7.7279 106.1096 43.7280 0.0000 172.4620 53 V 4.3798 8.1573 117.4427 59.4800 33.6064 174.8238 54 N 4.9265 8.4076 120.2600 53.3520 40.6044 175.7472 55 Q 3.9748 8.6531 128.5009 59.6138 29.1224 179.1529 56 R 4.0764 8.9484 119.5264 59.0403 30.0077 179.2360 57 G 3.6067 8.1489 105.2766 47.6700 0.0000 175.7870 58 V 3.5781 7.5530 119.4960 65.5936 31.5924 177.4986 59 A 4.1270 7.9707 120.3234 55.2364 18.0009 179.3064 60 A 4.0270 7.8881 117.5309 55.7323 18.6066 179.9019 61 T 4.1345 7.7445 108.9863 65.0571 68.3300 175.0813 *63 G 3.7938 7.8062 108.9689 45.2785 0.0000 172.8895 64 L 4.6520 7.2953 118.6214 52.6838 43.7426 177.3948 65 D 4.5943 8.2847 121.2931 53.2681 42.9052 175.7985 66 P 4.2550 0.0000 0.0000 66.1199 31.3848 179.0188 67 S 4.1785 8.0935 112.1610 61.6124 62.6942 176.4294 68 Q 3.9453 7.9721 120.9674 58.7004 28.5931 178.4197 69 I 3.6611 7.7150 120.7257 64.4523 37.1900 178.3101 70 V 3.6696 8.2467 119.4717 66.1517 31.2385 178.1543 71 G 3.6454 8.0567 105.0180 47.8547 0.0000 175.5128 72 L 3.9806 8.0441 121.9016 57.4615 41.7022 179.8545 73 V 3.5776 8.2179 118.4776 66.0377 31.3911 177.5068 74 D 4.3804 8.5287 119.0854 57.5005 40.1784 178.6049 75 E 3.9143 8.1528 119.4545 59.4058 29.6746 178.9323 76 L 4.0355 7.8783 118.9729 57.7141 41.5717 179.1521 77 E 4.5342 8.6560 121.0911 58.8460 29.3620 178.5452 78 E 3.9788 8.2110 117.9158 59.2738 29.6102 178.6779 79 R 4.3791 7.5819 114.3397 55.2819 30.4299 176.5622 80 G 3.9320 8.0643 107.0836 46.8139 0.0000 174.7570 81 L 4.5446 7.9633 120.2602 55.0298 43.6391 176.7620 82 V 4.9816 7.4221 117.6089 61.5844 35.2800 173.2888 83 V 4.7634 8.9231 119.0377 59.5315 35.7457 174.8648 84 R 4.7248 8.5809 123.0774 56.1292 30.9568 175.9211 85 T 4.7856 9.0445 119.9147 61.7879 73.0439 172.7878 86 L 4.9568 8.4270 121.9743 53.2810 44.4456 175.7709 87 D 4.7838 8.0377 121.6274 51.1189 42.1306 175.7673 88 P 4.4530 0.0000 0.0000 63.9024 29.0006 177.2337 *92 R 4.2406 7.5247 112.4753 56.4856 31.6814 176.4104 93 N 4.8608 8.0688 118.8737 53.7520 40.5814 175.2601 94 K 4.4241 8.6393 126.9024 55.0213 33.0167 173.6798 95 L 5.1666 8.8063 125.8064 52.0397 44.9486 176.0083 96 I 4.7910 8.9323 123.2168 59.7718 39.6753 174.1306 97 A 5.0066 8.7095 129.5607 49.7105 21.3291 175.6806 98 A 4.6256 8.5565 124.4177 52.1106 19.5361 177.5826 99 T 4.2593 8.3996 112.3565 60.7581 70.9697 175.8674 100 E 3.9374 8.7687 120.4519 59.4318 29.2756 179.1332 101 E 4.0445 8.2336 119.0934 59.2251 29.7367 178.8551 102 G 3.6608 8.0712 105.7561 48.0106 0.0000 175.8821 103 R 4.0091 8.1737 120.5218 58.9333 30.0284 179.3995 104 R 3.9323 8.0294 117.9593 59.1558 30.1130 178.8736 105 L 3.9688 8.2783 120.5256 58.0831 42.0185 178.8698 106 R 4.0209 8.4589 119.1293 59.6063 29.7670 178.2054 107 D 4.3669 8.2550 118.6132 57.4213 40.6842 178.2876 108 D 4.3261 8.3390 118.3156 57.3083 41.2619 178.1845 109 A 3.9521 8.6343 121.6930 54.9751 18.3751 179.3741 110 K 4.0315 8.7818 119.5369 58.9801 32.2247 178.7308 111 A 3.9986 7.7495 120.7981 55.3474 18.3363 179.9034 112 R 3.8397 7.6868 116.5518 59.2215 30.0397 179.4786 113 V 3.4025 8.0859 118.4053 66.0196 31.4467 177.7124 114 D 4.3176 8.4294 118.7945 57.4090 40.4541 178.6548 115 A 3.9702 7.8180 119.7435 55.1133 18.3758 179.2644 116 A 4.1209 7.9864 119.1594 55.7098 18.5055 179.5172 117 H 4.6444 8.7247 115.3207 59.1863 28.8227 177.9966 118 G 4.0584 8.4043 108.9595 47.4288 0.0000 175.7451 119 R 3.7953 7.5720 118.9494 58.7873 30.0422 177.8960 120 Y 4.2494 7.7672 114.6467 58.6630 38.8598 176.9765 121 F 4.8580 7.9113 116.8967 56.7908 40.7434 175.5430 122 E 4.2863 7.8845 119.6104 57.4473 29.6472 177.1657 123 G 4.0335 9.0237 112.1417 45.7816 0.0000 173.8693 124 I 4.2171 7.6295 120.9115 59.3374 38.2021 174.5421 125 P 4.2670 0.0000 0.0000 63.2320 32.6117 176.8314 126 D 4.4345 8.9499 122.2855 58.0118 40.8192 179.3986 127 T 3.8026 7.8751 109.5513 64.6627 68.5057 176.7038 128 V 3.5656 7.5353 119.8333 65.7014 31.8065 177.6226 129 V 3.7332 7.5260 116.6696 66.2590 31.6696 177.2165 130 N 4.4531 8.6969 116.5417 56.2830 38.2879 177.3335 131 Q 4.2854 8.0224 119.7913 56.3047 29.1807 177.8914 *133 R 4.1860 7.9739 119.5764 55.9947 32.0519 176.9807 134 D 4.8344 8.4775 119.1720 57.1265 40.8645 178.9953 135 T 3.9454 8.1871 110.4464 64.7947 68.8708 176.7342 136 L 4.1102 7.8971 121.3960 57.5908 41.5586 179.2366 137 Q 4.3495 8.4875 118.5913 59.0364 28.5647 178.9004 138 S 4.3246 8.0310 114.2770 60.3611 62.8887 176.1755 139 I 4.0184 6.9714 121.3511 63.6465 37.7209 177.5871 140 A 3.9572 8.3272 120.2368 53.5127 19.8029 177.6807 141 F 4.8696 8.0869 115.6602 54.7594 39.2984 173.7477 142 P 4.5893 0.0000 0.0000 64.4557 31.8002 177.5695 143 T 4.2242 7.4638 118.8230 63.5691 69.0292 173.4458 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 4 S 8.33 4.41 0.00 3.84 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 5 Q 8.42 4.29 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 6 A 7.76 4.19 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 7 L 8.30 3.77 0.00 1.48 1.33 0.57 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.85 4.43 0.00 4.08 3.98 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 0.00 0.00 0.00 9 D 7.47 4.62 0.00 2.80 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 10 D 8.11 4.41 0.00 2.73 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 11 I 8.55 3.79 1.90 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 1.59 1.30 0.93 0.00 0.00 12 G 8.18 3.56 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 0.00 0.00 0.00 13 F 8.78 4.16 0.00 3.12 3.30 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 14 L 8.33 3.82 0.00 1.91 1.70 1.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.06 3.95 0.00 1.81 1.69 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.11 4.06 0.00 3.74 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 17 R 7.61 3.60 0.00 1.02 1.66 0.00 3.15 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 18 V 7.73 3.63 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 0.74 0.00 0.00 0.88 0.00 0.00 19 G 8.43 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 20 G 7.80 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 *22 V 7.69 3.61 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 1.16 0.00 0.00 0.60 0.00 0.00 23 L 8.04 4.10 0.00 1.70 1.70 0.92 0.80 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 24 G 8.29 3.64 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 0.00 0.00 0.00 25 A 7.95 4.10 1.61 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 0.00 0.00 26 V 8.18 3.49 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 1.00 0.00 0.00 1.01 0.00 0.00 27 N 8.36 4.28 0.00 2.77 2.87 0.00 0.00 7.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.08 4.10 0.00 2.00 1.86 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.55 7.81 29 A 7.94 4.02 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 30 L 8.24 4.05 0.00 1.84 1.82 0.76 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.46 3.57 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 1.03 0.00 0.00 1.03 0.00 0.00 32 P 0.00 4.36 0.00 2.05 2.10 0.00 3.84 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 2.01 2.13 0.00 33 T 8.07 4.16 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 34 G 7.93 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 35 L 7.62 4.56 0.00 1.71 1.71 1.08 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.57 4.82 0.00 1.80 1.90 0.00 3.16 0.00 0.00 3.11 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 37 V 8.69 3.70 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 1.19 0.00 0.00 1.00 0.00 0.00 38 R 7.96 3.95 0.00 1.89 1.98 0.00 3.36 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 39 S 8.06 4.15 0.00 4.08 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 0.00 40 Y 8.69 4.12 0.00 3.03 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.42 4.01 0.00 4.08 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 42 V 7.75 3.53 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 1.07 0.00 0.00 0.96 0.00 0.00 43 L 7.90 3.86 0.00 1.78 1.72 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.38 3.40 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 0.77 0.00 0.00 0.18 0.00 0.00 45 L 8.00 4.06 0.00 1.85 1.68 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.25 4.03 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 47 C 7.84 4.36 0.00 3.06 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 48 E 7.79 4.10 0.00 2.10 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 2.30 2.57 0.00 49 Q 7.18 4.69 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 50 A 8.63 4.00 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 51 E 8.01 3.93 0.00 2.08 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 2.26 2.24 0.00 52 G 7.73 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 53 V 8.16 4.38 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 0.82 0.00 0.00 0.93 0.00 0.00 54 N 8.41 4.93 0.00 2.78 2.72 0.00 0.00 6.72 6.83 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 55 Q 8.65 3.97 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 56 R 8.95 4.08 0.00 2.04 1.97 0.00 3.18 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 57 G 8.15 3.61 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 0.00 0.00 0.00 58 V 7.55 3.58 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 0.85 0.00 0.00 0.99 0.00 0.00 59 A 7.97 4.13 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.89 4.03 1.41 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 0.00 0.00 61 T 7.74 4.13 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 1.44 0.00 0.00 *63 G 7.81 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 0.00 0.00 0.00 64 L 7.30 4.65 0.00 1.63 1.59 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.28 4.59 0.00 2.72 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 66 P 0.00 4.26 0.00 2.15 2.12 0.00 3.60 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 2.12 2.17 0.00 67 S 8.09 4.18 0.00 4.04 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 7.97 3.95 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 69 I 7.72 3.66 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.77 0.91 0.00 0.00 70 V 8.25 3.67 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 1.02 0.00 0.00 0.97 0.00 0.00 71 G 8.06 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 72 L 8.04 3.98 0.00 1.85 1.74 0.93 0.70 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 73 V 8.22 3.58 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 0.94 0.00 0.00 0.97 0.00 0.00 74 D 8.53 4.38 0.00 2.93 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 75 E 8.15 3.91 0.00 2.16 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 0.00 2.32 2.36 0.00 76 L 7.88 4.04 0.00 1.90 1.70 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.66 4.53 0.00 2.03 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 2.31 2.37 0.00 78 E 8.21 3.98 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 79 R 7.58 4.38 0.00 1.94 1.97 0.00 3.30 0.00 0.00 3.24 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 80 G 8.06 3.93 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 0.00 0.00 0.00 81 L 7.96 4.54 0.00 1.72 1.71 0.94 0.63 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 82 V 7.42 4.98 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 0.93 0.00 0.00 0.92 0.00 0.00 83 V 8.92 4.76 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 0.67 0.00 0.00 0.99 0.00 0.00 84 R 8.58 4.72 0.00 1.69 1.86 0.00 3.15 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 85 T 9.04 4.79 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 1.21 0.00 0.00 86 L 8.43 4.96 0.00 1.50 1.56 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.04 4.78 0.00 2.63 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 88 P 0.00 4.45 0.00 2.21 2.09 0.00 3.84 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 *92 R 7.52 4.24 0.00 1.88 1.89 0.00 3.25 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 93 N 8.07 4.86 0.00 2.67 2.75 0.00 0.00 7.15 7.28 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 94 K 8.64 4.42 0.00 1.45 1.71 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.74 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.44 1.04 7.81 95 L 8.81 5.17 0.00 1.70 1.56 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.93 4.79 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.86 0.90 0.00 0.00 97 A 8.71 5.01 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 98 A 8.56 4.63 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 99 T 8.40 4.26 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 1.26 0.00 0.00 100 E 8.77 3.94 0.00 2.00 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 2.40 2.31 0.00 101 E 8.23 4.04 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 2.39 0.00 102 G 8.07 3.66 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 0.00 0.00 0.00 103 R 8.17 4.01 0.00 2.04 1.99 0.00 3.13 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 104 R 8.03 3.93 0.00 2.00 1.99 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 105 L 8.28 3.97 0.00 1.76 1.82 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.46 4.02 0.00 1.96 2.08 0.00 3.36 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 107 D 8.26 4.37 0.00 2.94 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 0.00 108 D 8.34 4.33 0.00 2.81 2.84 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 0.00 109 A 8.63 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.78 4.03 0.00 2.10 2.11 0.00 1.67 0.00 0.00 1.91 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.54 7.81 111 A 7.75 4.00 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 0.00 112 R 7.69 3.84 0.00 1.91 1.92 0.00 3.10 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 113 V 8.09 3.40 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 0.88 0.00 0.00 0.32 0.00 0.00 114 D 8.43 4.32 0.00 2.92 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 0.00 115 A 7.82 3.97 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 0.00 116 A 7.99 4.12 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.72 4.64 0.00 3.46 3.63 0.00 5.66 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 0.00 118 G 8.40 4.06 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 0.00 0.00 0.00 119 R 7.57 3.80 0.00 1.40 1.43 0.00 3.06 0.00 0.00 3.01 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 120 Y 7.77 4.25 0.00 2.43 2.45 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 0.00 121 F 7.91 4.86 0.00 3.21 3.09 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 0.00 122 E 7.88 4.29 0.00 2.13 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 2.38 2.43 0.00 123 G 9.02 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 0.00 0.00 0.00 124 I 7.63 4.22 2.16 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.68 1.00 0.00 0.00 125 P 0.00 4.27 0.00 2.17 2.02 0.00 3.65 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 126 D 8.95 4.43 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 0.00 127 T 7.88 3.80 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 1.21 0.00 0.00 128 V 7.54 3.57 2.27 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 0.89 0.00 0.00 0.95 0.00 0.00 129 V 7.53 3.73 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 0.60 0.00 0.00 1.08 0.00 0.00 130 N 8.70 4.45 0.00 2.96 2.85 0.00 0.00 6.73 8.44 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 0.00 131 Q 8.02 4.29 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 *133 R 7.97 4.19 0.00 1.84 2.11 0.00 3.20 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 134 D 8.48 4.83 0.00 2.94 2.71 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 0.00 135 T 8.19 3.95 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 1.25 0.00 0.00 136 L 7.90 4.11 0.00 1.87 1.77 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 8.49 4.35 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 138 S 8.03 4.32 0.00 4.05 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 0.00 139 I 6.97 4.02 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.71 0.88 0.00 0.00 140 A 8.33 3.96 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 0.00 141 F 8.09 4.87 0.00 3.24 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 0.00 142 P 0.00 4.59 0.00 2.19 2.20 0.00 3.38 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 143 T 7.46 4.22 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 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.