NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 R 4.5369 8.0976 119.6561 56.1696 32.5343 173.4201 12 K 4.8030 8.1448 117.6390 54.9815 36.4426 173.6406 13 I 4.4229 9.0755 123.9572 59.4789 40.8827 175.5851 14 I 4.4837 8.1084 128.6057 60.0071 38.9048 174.6912 15 I 4.7035 8.4529 128.4823 58.6894 38.8380 177.3914 16 A 4.5166 8.8008 134.1831 50.8790 15.9361 177.2029 17 S 4.5504 7.6932 111.6230 58.5094 66.7974 177.2551 18 Q 4.4547 8.9079 123.7624 55.7720 29.4203 175.8416 19 N 4.4107 8.0042 118.5654 52.8370 39.6885 173.2681 20 P 4.2004 0.0000 0.0000 66.0188 31.2264 178.2223 21 A 3.9651 8.5343 120.5772 55.0734 18.3704 179.8436 22 K 4.0566 8.1966 116.4881 59.5332 32.1802 179.6548 23 V 3.6003 8.1418 118.8834 65.9467 31.3406 177.7847 24 N 4.1880 8.5283 116.3840 56.2817 38.3519 177.1263 25 A 4.0054 7.9345 121.9896 55.2895 18.5039 179.8310 26 V 3.6535 7.8095 116.6635 66.0811 31.4685 178.4636 27 R 2.7350 7.6430 117.7581 59.0087 29.8940 178.8554 28 S 4.1594 8.4626 114.1317 60.6567 62.3421 175.9955 29 A 3.9598 8.3236 123.4395 55.4633 18.1405 179.6869 30 F 4.2359 8.5778 116.3850 60.7375 38.6109 178.1501 31 S 4.5807 8.8758 114.3548 61.5775 62.6239 176.8503 32 T 3.9469 7.7634 118.9303 66.5854 68.3834 176.7746 33 V 3.6616 7.6540 118.8254 63.9464 32.2720 175.8459 34 F 4.9440 8.2866 118.4389 53.9430 39.0049 173.3560 35 P 4.3869 0.0000 0.0000 64.0152 32.2902 177.9502 36 D 4.7882 7.1879 116.4620 50.8404 38.6659 178.2657 37 Q 2.9763 8.3766 119.7249 56.4005 28.2208 172.0369 38 E 4.3082 7.2362 110.6806 55.5284 31.6459 174.6611 39 W 5.1794 8.2570 118.9051 55.4069 31.4838 172.9460 40 E 4.6357 8.9431 122.2717 54.6522 31.0215 174.4890 41 F 4.9365 8.9657 125.8448 56.5367 40.5020 175.1511 42 I 4.4826 8.6827 124.3928 59.3312 40.4167 174.8174 43 G 4.1903 8.8495 115.0201 44.7453 0.0000 172.9336 44 V 4.6306 8.7561 126.7583 60.8485 34.8327 174.6877 45 S 4.7882 8.5902 120.0719 56.9258 63.9982 173.5758 46 V 4.7389 8.1960 117.3600 58.4168 35.3223 174.1358 47 P 4.4978 0.0000 0.0000 62.7559 32.0354 176.5316 48 S 4.3076 8.5485 114.1255 58.5619 63.8197 174.9783 49 E 3.7931 8.4303 117.7373 56.6766 26.5964 173.3658 50 V 4.4924 7.3504 111.5031 58.6801 35.1010 175.0067 51 A 4.1305 8.3196 123.3452 52.6648 18.5005 177.7213 52 D 4.4249 8.8202 121.1702 56.8942 40.9915 176.3970 53 Q 4.4201 7.6365 118.8335 53.1968 30.4052 173.7000 54 P 4.9706 0.0000 0.0000 61.6064 32.9177 175.0085 *56 S 4.6533 8.4576 113.3282 58.8450 64.3880 174.6898 57 D 4.7163 10.3247 121.1359 57.7132 40.9761 178.3556 58 E 3.9057 8.2629 118.5523 59.6032 29.3365 178.9242 59 E 3.9798 8.4942 119.3346 59.4678 29.7763 178.9627 60 T 4.0602 8.2388 115.9349 66.5504 68.5158 176.5502 61 K 3.3598 8.1018 121.5908 59.2266 31.9129 178.6070 62 Q 3.9274 8.1079 120.0276 59.0174 28.9288 178.4824 63 G 3.5874 8.3132 106.6587 47.6788 0.0000 175.5819 64 A 4.0330 7.9625 123.1105 54.9278 18.3863 179.7147 65 L 3.9483 8.0972 117.7536 57.9500 41.6409 179.5603 66 N 4.3017 8.4694 116.7212 56.4323 38.4380 177.6458 67 R 3.9687 7.9618 119.4457 59.1749 30.1472 179.3591 68 V 3.6117 7.6905 117.5182 66.0491 31.1897 178.0133 69 R 3.8082 8.1234 118.5687 59.5944 29.8751 178.2634 70 N 4.3471 8.7006 116.4879 56.1704 38.4693 177.3273 71 A 4.2337 8.4393 122.6351 55.0639 18.2064 179.8680 72 K 3.2067 7.7523 116.4771 59.1485 32.0424 178.8919 73 Q 4.1177 7.3990 118.5457 58.7643 29.1490 177.8471 74 R 4.1901 8.3634 118.8804 58.3142 31.5507 176.9280 75 H 4.9103 8.4086 114.2393 53.2327 29.2113 171.2546 76 P 4.9416 0.0000 0.0000 62.4787 32.3687 175.8930 77 G 4.0968 9.0523 107.5420 45.9894 0.0000 174.6704 78 A 3.9571 7.6500 120.7523 52.1289 18.8168 176.7073 79 E 4.0708 8.4635 121.4292 58.1554 30.5108 176.4493 80 Y 4.9993 7.1601 115.7106 56.3539 42.8181 173.6536 81 Y 5.0602 9.5034 120.5875 56.1650 41.8373 174.6858 82 V 4.9277 9.1454 123.9486 61.0369 34.7948 174.1868 83 G 4.4673 9.5037 115.3432 44.4662 0.0000 172.9368 84 L 4.8595 8.5472 125.3225 53.2710 44.3834 174.3388 85 E 4.7518 9.2617 127.4298 54.1347 32.1373 175.0644 86 A 4.8331 8.7783 128.6723 51.9287 20.6001 175.7791 87 G 4.3718 8.8424 105.7298 46.7659 0.0000 172.0365 88 I 4.6537 8.0867 112.4436 59.4020 41.3814 174.9023 89 E 4.6055 9.2014 123.3250 56.0658 33.8074 175.6554 90 E 3.8323 9.2008 128.3382 57.8512 27.8847 174.7393 91 N 5.0519 9.4381 120.9429 53.2088 38.5187 173.9219 92 K 5.0097 8.4014 118.8150 55.3779 35.4671 175.0822 93 T 4.7442 8.3760 117.6774 60.4634 71.2414 172.3610 94 F 4.9076 7.4209 119.3371 56.5916 41.8751 172.1234 95 A 5.1599 8.6957 119.7562 50.4001 22.6093 176.2728 96 W 4.6903 9.2183 121.5792 55.3342 32.7948 174.6781 *98 I 4.4382 8.0430 119.7086 61.9238 38.3757 175.0377 99 V 4.9501 9.1264 127.2277 61.1613 34.3222 174.0526 100 E 5.4765 9.9381 127.1650 54.6780 33.0356 175.2557 101 S 5.0348 8.9996 118.9626 58.5492 63.6832 174.6015 102 D 4.9351 8.7602 120.6770 54.3546 41.4232 176.5613 103 Q 4.4628 8.0597 116.5764 56.4024 32.0212 174.6030 104 Q 4.6461 8.3963 114.0239 54.6419 31.9902 172.8948 105 R 5.3182 8.4457 117.7132 54.5646 32.8253 174.4003 106 G 4.7682 10.0463 113.1887 44.0058 0.0000 171.7853 107 E 5.2849 8.3550 118.3043 55.5722 32.5100 174.1522 108 S 4.5634 8.5405 112.1947 57.6138 65.3005 174.1894 109 R 4.0445 7.8539 126.6603 53.8069 31.3351 175.7766 110 S 4.3767 8.4293 121.1585 57.8848 63.9562 173.8498 111 A 4.2221 8.4901 122.4598 52.4564 18.6786 176.9344 112 C 4.8807 8.5391 115.5028 56.6239 31.7595 173.4636 113 L 4.6584 8.5083 123.6208 54.7629 45.0200 176.1250 *115 L 4.3962 8.5687 116.5313 53.4248 43.1052 174.8849 116 P 4.3888 0.0000 0.0000 61.7363 32.2687 175.7713 117 P 4.3191 0.0000 0.0000 66.3546 30.9422 178.5202 118 L 3.9850 7.9127 119.1632 57.6040 41.7169 179.0852 119 V 3.6705 7.9155 118.1736 65.9132 31.6697 177.8546 120 L 4.1113 7.8524 116.8115 57.4942 41.4674 178.5233 121 E 4.0540 8.0006 118.9459 58.6810 29.7828 178.7949 122 R 3.8110 7.9581 117.2161 54.1849 30.1824 175.1230 123 L 3.4204 8.1137 126.4080 54.7065 43.1636 174.8730 *129 L 4.1242 7.9743 119.0691 55.0790 42.4251 178.2952 130 G 3.6839 7.8553 101.9501 46.6672 0.0000 172.4589 131 D 4.9753 7.7483 117.6039 53.4507 41.2752 177.6258 132 V 3.8164 7.2823 120.6627 63.0658 30.8777 176.6989 *134 D 4.8808 7.9780 116.1978 53.7277 43.8290 176.5221 135 E 4.3277 8.4831 118.4456 56.1496 30.3157 177.9371 136 V 4.2075 8.4634 123.2256 61.1541 32.2793 176.8706 *140 E 4.0764 7.8384 118.6282 57.2265 31.2215 174.9531 141 N 5.1395 8.2599 124.7495 52.9545 39.5683 176.0694 142 I 4.0218 7.9659 118.7286 63.1605 38.2619 177.8458 143 K 3.9047 8.2451 120.4801 59.3986 32.4209 176.9627 144 Q 4.6513 7.3129 116.8181 54.2102 27.3238 176.9594 145 K 4.5112 7.4526 122.3322 56.0454 34.0217 177.9822 146 G 3.7715 8.1807 106.5201 44.5943 0.0000 174.4780 147 G 4.0088 7.8355 108.7125 44.3060 0.0000 173.6366 148 A 3.9303 8.5552 119.0626 55.3751 18.2416 179.9514 149 I 3.6710 7.7685 117.7659 64.6447 37.2568 178.6420 150 G 3.9720 8.1834 108.0631 46.7509 0.0000 175.4801 151 L 3.9973 8.1447 122.8617 57.9148 41.9623 179.0484 152 L 4.1376 8.4198 118.2788 56.7892 41.7196 178.4639 153 T 4.4505 7.7877 108.4727 60.3726 69.0282 174.7047 154 R 3.8187 8.2561 117.7487 58.1902 28.0691 176.1517 155 H 4.0745 8.8028 113.1538 57.3696 28.9959 174.8780 156 H 4.5109 8.0678 114.5219 57.3552 28.9918 175.2139 157 L 4.7140 7.6806 118.6725 52.5235 45.9551 174.7265 158 T 4.8104 8.3383 110.4469 58.9902 73.2636 174.9175 159 R 3.5608 8.2078 121.0228 59.6850 29.8035 178.7903 160 S 4.0374 7.7570 114.4480 61.8710 62.6276 176.7048 161 T 3.8898 8.0608 112.3495 64.4066 68.4462 176.8494 162 V 3.5439 7.9383 121.5548 66.0753 31.5909 177.6508 163 Y 4.4184 8.5614 117.0311 61.2187 37.7881 177.6161 164 H 4.1238 8.6447 119.5875 59.6362 29.8927 177.3230 165 Q 3.9262 7.8059 119.0715 58.8509 28.5813 178.4531 166 A 3.9663 7.6600 120.4301 55.0660 18.1397 179.7237 167 L 3.9194 7.8416 116.7660 57.9082 41.9841 179.4685 168 I 3.6782 7.4877 119.3626 64.3704 37.0630 178.5296 169 L 3.9553 7.9598 119.5371 57.6441 41.5297 179.3654 170 A 4.1567 8.0215 120.3736 54.3297 18.3667 178.6966 171 L 4.5633 7.7397 116.3558 55.3172 41.8904 178.5752 172 I 3.4843 7.3257 121.0820 64.2578 37.2563 176.0637 173 P 3.2455 0.0000 0.0000 65.2043 30.8561 178.2475 174 F 4.6162 7.5022 114.3609 59.2699 39.0865 177.0466 175 I 4.3012 7.5273 118.7212 61.8333 38.9395 175.5815 176 N 5.3409 7.5669 114.9523 50.7590 38.7366 173.1531 177 P 4.3722 0.0000 0.0000 65.8848 32.3458 179.3304 178 E 3.9522 8.3211 116.3522 59.4855 29.4035 177.4733 179 H 4.5351 8.0774 112.8368 56.3045 29.1765 175.2262 180 Y 4.4496 7.4420 116.8173 55.0762 38.8310 173.4919 181 P 4.5867 0.0000 0.0000 62.2525 33.0784 177.3176 182 S 4.3944 8.4618 113.5000 59.0325 62.9622 174.2799 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 11 R 8.10 4.54 0.00 1.94 2.07 0.00 3.18 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 12 K 8.14 4.80 0.00 1.68 1.74 0.00 1.37 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.37 7.81 13 I 9.08 4.42 0.86 0.00 0.00 -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 0.45 -0.30 0.37 0.00 0.00 14 I 8.11 4.48 1.41 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.85 0.92 0.00 0.00 15 I 8.45 4.70 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.62 0.94 0.00 0.00 16 A 8.80 4.52 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.69 4.55 0.00 3.94 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 18 Q 8.91 4.45 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.28 0.00 19 N 8.00 4.41 0.00 2.82 2.74 0.00 0.00 6.88 7.15 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 20 P 0.00 4.20 0.00 2.30 2.31 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 21 A 8.53 3.97 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 22 K 8.20 4.06 0.00 2.00 1.93 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.68 1.60 7.81 23 V 8.14 3.60 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 1.02 0.00 0.00 0.99 0.00 0.00 24 N 8.53 4.19 0.00 3.01 2.82 0.00 0.00 6.91 7.15 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 25 A 7.93 4.01 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 26 V 7.81 3.65 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 1.23 0.00 0.00 1.06 0.00 0.00 27 R 7.64 2.74 0.00 1.82 1.55 0.00 2.97 0.00 0.00 2.78 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.24 0.00 28 S 8.46 4.16 0.00 3.85 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 29 A 8.32 3.96 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 30 F 8.58 4.24 0.00 3.56 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 31 S 8.88 4.58 0.00 4.17 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 0.00 32 T 7.76 3.95 4.43 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 1.21 0.00 0.00 33 V 7.65 3.66 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 -0.14 0.00 0.00 0.70 0.00 0.00 34 F 8.29 4.94 0.00 3.63 3.05 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 35 P 0.00 4.39 0.00 2.21 2.24 0.00 3.43 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 36 D 7.19 4.79 0.00 2.68 2.23 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.38 2.98 0.00 1.58 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 38 E 7.24 4.31 0.00 1.86 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 39 W 8.26 5.18 0.00 2.76 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.94 4.64 0.00 2.04 1.79 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 2.26 2.30 0.00 41 F 8.97 4.94 0.00 2.88 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 42 I 8.68 4.48 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.89 0.00 0.00 43 G 8.85 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.76 4.63 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 0.88 0.00 0.00 0.72 0.00 0.00 45 S 8.59 4.79 0.00 3.90 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 46 V 8.20 4.74 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 0.80 0.00 0.00 0.99 0.00 0.00 47 P 0.00 4.50 0.00 2.18 2.06 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 48 S 8.55 4.31 0.00 4.01 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 49 E 8.43 3.79 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 50 V 7.35 4.49 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 0.74 0.00 0.00 0.95 0.00 0.00 51 A 8.32 4.13 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 52 D 8.82 4.42 0.00 2.68 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 53 Q 7.64 4.42 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.92 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 54 P 0.00 4.97 0.00 2.16 2.08 0.00 3.96 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 2.16 2.08 0.00 *56 S 8.46 4.65 0.00 4.11 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 57 D 10.32 4.72 0.00 2.69 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 58 E 8.26 3.91 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 59 E 8.49 3.98 0.00 2.05 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 2.35 2.37 0.00 60 T 8.24 4.06 4.95 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 1.59 0.00 0.00 61 K 8.10 3.36 0.00 0.79 1.35 0.00 0.61 0.00 0.00 0.97 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.76 0.21 7.81 62 Q 8.11 3.93 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 63 G 8.31 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 4.03 1.45 0.00 0.00 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0.00 0.00 81 Y 9.50 5.06 0.00 2.89 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 82 V 9.15 4.93 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.05 0.00 0.00 83 G 9.50 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.55 4.86 0.00 1.61 1.55 0.95 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 85 E 9.26 4.75 0.00 2.16 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 2.34 0.00 86 A 8.78 4.83 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.84 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 0.00 0.00 0.00 0.00 88 I 8.09 4.65 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.93 0.74 0.00 0.00 89 E 9.20 4.61 0.00 2.31 2.07 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0.57 0.88 0.00 0.00 150 G 8.18 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 0.00 151 L 8.14 4.00 0.00 1.82 1.65 0.91 0.72 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 0.00 152 L 8.42 4.14 0.00 1.63 1.71 0.91 0.87 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 0.00 153 T 7.79 4.45 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 1.21 0.00 0.00 154 R 8.26 3.82 0.00 1.96 1.97 0.00 3.35 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 155 H 8.80 4.07 0.00 3.16 3.29 0.00 5.75 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 H 8.07 4.51 0.00 3.30 3.32 0.00 5.70 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.68 4.71 0.00 1.60 1.46 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 158 T 8.34 4.81 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 0.94 0.00 0.00 159 R 8.21 3.56 0.00 1.72 1.69 0.00 2.87 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.74 0.00 160 S 7.76 4.04 0.00 3.83 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 0.00 161 T 8.06 3.89 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 162 V 7.94 3.54 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 1.14 0.00 0.00 0.97 0.00 0.00 163 Y 8.56 4.42 0.00 3.17 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 0.00 164 H 8.64 4.12 0.00 3.39 3.53 0.00 5.78 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 0.00 165 Q 7.81 3.93 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 166 A 7.66 3.97 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 0.00 167 L 7.84 3.92 0.00 1.74 1.68 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 168 I 7.49 3.68 1.88 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 1.56 0.75 0.78 0.00 0.00 169 L 7.96 3.96 0.00 1.81 1.67 0.87 0.71 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 0.00 170 A 8.02 4.16 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 0.00 171 L 7.74 4.56 0.00 1.80 1.61 0.71 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 172 I 7.33 3.48 1.65 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.74 0.48 0.00 0.00 173 P 0.00 3.25 0.00 1.16 1.67 0.00 3.38 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 174 F 7.50 4.62 0.00 3.34 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 0.00 175 I 7.53 4.30 1.95 0.00 0.00 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 1.40 0.71 0.90 0.00 0.00 176 N 7.57 5.34 0.00 3.13 2.98 0.00 0.00 6.83 7.91 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 0.00 177 P 0.00 4.37 0.00 2.25 2.21 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 178 E 8.32 3.95 0.00 1.74 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 2.41 0.00 179 H 8.08 4.54 0.00 3.25 3.07 0.00 5.60 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 0.00 180 Y 7.44 4.45 0.00 2.89 2.81 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 0.00 181 P 0.00 4.59 0.00 2.18 2.10 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 182 S 8.46 4.39 0.00 3.90 3.95 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 * Residues marked with a * may have inaccurate shift predictions.