NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6701 8.1400 114.8162 57.6159 64.5594 173.8575 2 L 3.7259 8.5999 122.1617 58.2944 41.1816 177.4283 3 L 3.8463 8.4301 119.2974 57.8011 41.9152 178.8916 4 E 3.9721 8.7146 118.4579 59.1337 29.7439 178.7680 5 F 4.6967 8.3238 120.3018 61.3712 39.5987 177.1760 6 G 3.5370 9.0718 106.6519 47.5913 0.0000 175.6726 7 K 4.0706 7.7322 121.9694 59.3198 32.3235 178.8513 8 M 4.0862 8.1131 119.0161 58.6461 31.9303 178.5072 9 I 3.6081 7.7308 119.7557 64.5222 37.2622 178.2815 10 L 4.2345 7.6977 121.8487 57.6423 41.8327 178.4183 11 E 4.2847 8.4068 116.0665 57.8328 29.5120 177.6758 12 E 4.7158 7.8911 117.0128 56.2503 31.6780 176.4644 13 T 4.5025 7.7328 105.4470 59.9783 70.2320 173.7872 14 G 4.1202 8.0192 108.9514 46.6724 0.0000 173.1957 *16 K 4.8900 7.4560 116.7119 56.0707 33.2823 174.5988 17 L 4.4602 8.0819 119.5416 53.2892 42.7214 177.4814 18 A 3.9050 8.8299 127.4970 55.5724 18.7888 179.2546 19 I 3.7123 7.8262 115.3540 63.6494 38.2470 175.6929 20 P 4.5908 0.0000 0.0000 63.9655 31.9973 177.1719 21 S 4.4669 7.9519 115.6796 61.0032 63.3025 174.6972 22 Y 4.4348 8.1115 115.6174 57.6370 39.3686 177.8163 23 S 4.2019 7.6599 113.7321 60.9004 63.6080 175.1375 24 S 5.0584 7.6344 112.6867 58.4655 63.9982 173.5965 25 Y 4.6140 7.9012 123.2349 57.8279 41.4185 175.3368 26 G 3.4385 7.3988 115.5303 47.3713 0.0000 173.9824 27 C 4.6524 9.9251 118.3506 57.1742 39.6892 173.8751 28 Y 4.3826 8.4396 115.7312 57.8575 39.7297 174.5302 29 C 4.5880 8.0592 116.8830 59.9268 39.9767 173.5356 30 G 4.3793 9.0977 121.6322 45.2966 0.0000 173.6536 31 W 4.2806 8.0960 122.7937 56.2651 26.5031 178.9542 32 G 4.8485 10.0639 121.5701 43.5389 0.0000 177.6451 33 G 3.6730 7.5157 113.8790 45.8262 0.0000 169.8668 34 K 4.7654 8.4552 120.1567 54.9278 34.8913 176.1015 35 G 4.1593 8.8871 104.9102 46.0825 0.0000 173.0850 36 T 4.2886 7.6985 115.4463 61.8487 69.3247 173.8315 37 P 4.6915 0.0000 0.0000 62.6207 32.1961 177.0593 38 K 3.8182 8.7835 121.7602 58.8795 32.2617 176.4453 39 D 4.6459 7.3389 115.1601 50.6975 42.7957 175.0456 40 A 3.9971 8.9162 119.7539 56.1971 18.0446 179.6984 41 T 3.9313 8.0376 113.2705 67.0617 68.4071 176.1256 42 D 4.5315 8.4317 119.6912 57.4401 41.2083 178.5470 43 R 4.0218 8.4399 119.1777 59.1095 29.9468 178.2665 44 C 4.3168 8.3439 116.5767 60.3898 38.5052 175.5789 45 C 4.4076 8.3847 117.6207 59.7479 37.1759 175.7442 46 F 3.8023 8.5156 122.7555 61.2540 38.8146 177.3519 47 V 3.1913 8.3280 117.9037 66.0415 31.3242 177.0372 48 H 3.9400 8.3463 118.3711 59.4864 29.6335 176.4879 49 D 4.1795 8.5973 121.1185 57.7044 40.5036 178.0159 50 C 3.9577 7.6020 115.6659 60.2591 38.0443 175.2159 51 C 4.2498 8.5702 120.6035 60.1535 43.7335 175.3900 52 Y 4.2019 8.0231 118.2044 60.7704 37.0923 178.6259 53 G 3.7705 7.7819 106.2679 48.1917 0.0000 175.2558 54 N 4.6128 7.7325 116.7068 54.1787 39.5344 175.9009 55 L 4.4538 7.5167 121.8278 52.6934 40.7546 174.2817 56 P 4.2093 0.0000 0.0000 65.3602 32.4213 177.7275 *59 D 5.1413 7.5822 116.9867 53.9702 42.0179 175.4708 *61 C 4.4822 7.3971 115.8435 56.9983 42.9405 173.9630 *67 N 5.4180 8.5552 118.6017 52.5435 38.3107 173.5192 68 P 4.0120 0.0000 0.0000 64.8380 31.5956 178.9026 69 K 4.1467 7.9130 119.7355 58.3475 32.2926 177.0833 70 S 4.6321 7.7681 109.3476 57.4817 63.9600 172.9840 71 D 4.8056 8.0203 120.4241 53.2723 42.3851 175.4682 72 R 5.0686 8.4575 120.8211 53.7056 33.3000 174.3550 73 Y 4.9582 7.4721 116.7285 55.6510 41.4364 173.9908 74 K 4.8321 8.8220 118.9878 54.8334 35.0318 175.3214 75 Y 5.5631 8.4148 122.6514 55.5808 41.4792 174.5382 76 K 4.2536 8.6088 114.7689 55.9760 35.9367 175.3527 77 R 4.6887 8.7320 122.3531 55.8786 30.9992 176.6638 78 V 4.1672 8.2309 120.9529 61.3834 31.6064 172.7622 79 N 4.1073 8.2891 122.3901 55.1913 33.8682 173.2807 80 G 3.9572 8.0461 116.0497 45.1418 0.0000 171.5179 81 A 4.0475 7.6244 120.0426 51.6433 19.4854 176.3616 82 I 4.6886 8.2424 122.8388 60.3717 38.5089 175.3111 83 V 4.3544 8.9588 127.7935 61.3284 33.9172 173.8967 84 C 4.9996 8.7408 125.5310 55.4452 40.5806 173.3038 85 E 4.1584 8.8750 124.6826 55.9232 30.1360 177.3454 86 K 3.8948 8.7679 124.9496 56.7608 32.3459 175.6806 *88 G 4.3734 8.1800 116.9211 44.9931 0.0000 171.1828 89 T 3.9661 8.1708 109.1322 62.0609 69.1323 175.2057 90 S 4.1311 8.6549 118.2162 61.8504 63.0803 177.2648 91 C 4.1554 8.1974 119.6701 60.0619 35.3629 175.6865 92 E 3.8649 8.1194 119.2941 58.7853 29.0482 179.1398 93 N 4.2510 7.7959 116.4786 56.4496 38.7972 177.5156 94 R 3.8719 8.1590 119.7251 58.9758 30.0372 178.9940 95 I 3.4827 7.4423 119.3223 64.4556 37.0418 177.1194 96 C 2.9211 7.0947 119.0868 59.8937 39.2285 175.8314 97 E 3.2505 7.8607 119.4751 59.5599 28.9403 178.9327 98 C 4.2229 7.9955 116.6730 59.7576 39.5295 175.8709 99 D 3.8037 8.1585 120.8988 56.9996 40.5272 178.2744 100 K 3.6465 8.4871 121.0220 59.6270 32.0628 178.2386 101 A 3.8283 7.7476 120.1712 55.1210 18.3109 179.0723 102 A 3.5402 7.8163 118.8426 55.2770 18.4356 179.5097 103 A 3.6611 8.0521 118.9279 55.4213 18.5118 179.7051 104 I 3.5960 7.4632 117.9755 64.8368 36.9605 177.6565 105 C 4.2060 7.7795 117.8637 59.7703 40.6018 175.4603 106 F 4.7561 7.7967 119.2793 60.6198 38.3617 177.4533 107 R 3.9377 8.0280 118.2270 59.7803 29.7130 178.5349 108 Q 4.2017 8.1569 115.7323 57.9097 28.9012 176.9335 109 N 5.1173 7.9476 116.0323 52.6862 39.9200 176.0769 110 L 4.1781 7.9221 122.1083 57.8165 42.0487 179.4963 111 N 4.3332 8.4466 115.4770 55.8578 37.1796 175.8115 112 T 4.3230 7.5812 105.6715 60.7529 69.1221 173.4876 113 Y 3.8407 7.6100 123.7333 58.5282 38.6095 175.2875 114 S 4.6878 8.7216 123.3954 56.1233 63.1395 174.5829 115 K 3.9262 8.9763 129.8380 59.5083 31.8964 177.8822 116 K 4.0983 7.3753 114.8185 58.1842 32.8071 176.9380 117 Y 4.4155 7.4564 117.4284 58.8302 38.7557 175.9125 118 M 4.2128 7.0356 118.4000 55.9743 33.0578 175.8804 119 L 3.5878 7.6827 118.7796 56.1566 39.5674 174.3921 120 Y 4.3659 7.4648 117.4490 54.5769 40.6914 172.6324 121 P 3.8701 0.0000 0.0000 62.7267 30.5126 176.3850 122 D 4.0785 8.2109 125.8337 56.5790 39.4605 179.1604 *124 F 4.6896 7.8736 111.5201 56.0318 39.1520 174.9608 125 L 4.3943 7.4194 119.0773 54.9322 42.0325 175.5864 126 C 4.6334 7.8584 117.7383 55.6106 34.7411 173.1360 127 K 4.5639 8.4935 123.5127 55.6614 35.0804 176.5219 128 G 4.3228 9.0127 105.3585 45.4781 0.0000 171.7164 129 E 4.8844 8.1144 117.6885 54.4714 32.9540 174.1708 130 L 4.8053 8.3138 120.5898 53.0308 45.4352 175.9408 131 K 4.6136 8.4645 120.9450 54.8856 34.9610 177.1583 *133 C 4.8543 8.6053 118.0353 57.4892 41.5361 173.7830 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 S 8.14 4.67 0.00 4.17 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 0.00 2 L 8.60 3.73 0.00 1.92 1.78 0.95 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.43 3.85 0.00 1.78 1.68 0.92 0.85 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 4 E 8.71 3.97 0.00 1.69 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 1.47 2.05 0.00 5 F 8.32 4.70 0.00 3.09 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 6 G 9.07 3.54 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 0.00 7 K 7.73 4.07 0.00 1.96 2.15 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.55 7.81 8 M 8.11 4.09 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 9 I 7.73 3.61 1.75 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 1.15 0.18 0.45 0.00 0.00 10 L 7.70 4.23 0.00 1.86 1.83 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.41 4.28 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.74 0.00 12 E 7.89 4.72 0.00 1.98 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 2.35 2.41 0.00 13 T 7.73 4.50 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 14 G 8.02 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 *16 K 7.46 4.89 0.00 1.93 1.83 0.00 1.90 0.00 0.00 1.58 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.63 7.81 17 L 8.08 4.46 0.00 1.71 1.60 0.92 0.76 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 18 A 8.83 3.90 1.17 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 19 I 7.83 3.71 1.88 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 1.49 1.22 0.93 0.00 0.00 20 P 0.00 4.59 0.00 2.26 2.18 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 21 S 7.95 4.47 0.00 4.23 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.11 4.43 0.00 2.94 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 23 S 7.66 4.20 0.00 4.12 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 0.00 24 S 7.63 5.06 0.00 4.32 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.90 4.61 0.00 2.86 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 26 G 7.40 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.93 4.65 0.00 2.98 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 28 Y 8.44 4.38 0.00 3.25 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 29 C 8.06 4.59 0.00 3.50 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.10 4.38 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 0.00 31 W 8.10 4.28 0.00 3.40 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 32 G 10.06 4.85 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 33 G 7.52 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 0.00 0.00 0.00 34 K 8.46 4.77 0.00 1.72 1.82 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.46 7.81 35 G 8.89 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 0.00 0.00 0.00 36 T 7.70 4.29 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 37 P 0.00 4.69 0.00 1.94 1.99 0.00 3.47 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 1.57 1.81 0.00 38 K 8.78 3.82 0.00 0.83 0.74 0.00 0.97 0.00 0.00 1.19 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.03 0.21 7.81 39 D 7.34 4.65 0.00 2.87 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.92 4.00 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 41 T 8.04 3.93 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 0.34 0.00 0.00 42 D 8.43 4.53 0.00 2.84 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 43 R 8.44 4.02 0.00 2.08 2.00 0.00 3.16 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 44 C 8.34 4.32 0.00 3.52 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 45 C 8.38 4.41 0.00 3.38 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.52 3.80 0.00 2.55 3.06 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 47 V 8.33 3.19 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 0.85 0.00 0.00 1.04 0.00 0.00 48 H 8.35 3.94 0.00 3.15 3.36 0.00 5.65 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 49 D 8.60 4.18 0.00 2.72 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 50 C 7.60 3.96 0.00 2.58 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 51 C 8.57 4.25 0.00 2.86 3.04 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 52 Y 8.02 4.20 0.00 3.05 2.87 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 53 G 7.78 3.77 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 0.00 0.00 0.00 54 N 7.73 4.61 0.00 2.68 2.87 0.00 0.00 7.05 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 55 L 7.52 4.45 0.00 1.65 1.53 0.78 1.18 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 56 P 0.00 4.21 0.00 2.28 2.29 0.00 3.51 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 2.05 2.15 0.00 *59 D 7.58 5.14 0.00 2.73 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 *61 C 7.40 4.48 0.00 2.89 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 *67 N 8.56 5.42 0.00 2.74 2.80 0.00 0.00 7.37 8.03 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 68 P 0.00 4.01 0.00 0.78 0.99 0.00 3.55 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.41 0.00 69 K 7.91 4.15 0.00 1.73 1.87 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.47 7.81 70 S 7.77 4.63 0.00 3.96 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 71 D 8.02 4.81 0.00 2.73 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 72 R 8.46 5.07 0.00 1.77 1.93 0.00 3.26 0.00 0.00 3.73 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 73 Y 7.47 4.96 0.00 3.02 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 74 K 8.82 4.83 0.00 1.87 1.75 0.00 1.62 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.44 7.81 75 Y 8.41 5.56 0.00 3.16 3.03 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 76 K 8.61 4.25 0.00 1.77 1.82 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.39 7.81 77 R 8.73 4.69 0.00 1.72 1.93 0.00 3.38 0.00 0.00 3.38 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 78 V 8.23 4.17 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 0.74 0.00 0.00 0.94 0.00 0.00 79 N 8.29 4.11 0.00 2.91 3.05 0.00 0.00 7.25 7.65 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 80 G 8.05 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.62 4.05 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 82 I 8.24 4.69 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.94 0.00 0.00 83 V 8.96 4.35 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 0.99 0.00 0.00 0.96 0.00 0.00 84 C 8.74 5.00 0.00 2.95 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 85 E 8.87 4.16 0.00 2.16 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 86 K 8.77 3.89 0.00 1.79 1.73 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.43 7.81 *88 G 8.18 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 89 T 8.17 3.97 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 1.26 0.00 0.00 90 S 8.65 4.13 0.00 4.04 4.14 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 91 C 8.20 4.16 0.00 2.96 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 92 E 8.12 3.86 0.00 2.15 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 2.50 2.35 0.00 93 N 7.80 4.25 0.00 2.81 2.80 0.00 0.00 7.19 7.66 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 94 R 8.16 3.87 0.00 1.75 1.90 0.00 3.09 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 95 I 7.44 3.48 1.66 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.80 0.85 0.00 0.00 96 C 7.09 2.92 0.00 2.25 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 7.86 3.25 0.00 2.09 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 2.43 2.42 0.00 98 C 8.00 4.22 0.00 3.25 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 99 D 8.16 3.80 0.00 2.61 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.49 3.65 0.00 1.68 1.87 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.38 1.42 7.81 101 A 7.75 3.83 1.30 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 0.00 0.00 102 A 7.82 3.54 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.05 3.66 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 0.00 104 I 7.46 3.60 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.83 0.89 0.00 0.00 105 C 7.78 4.21 0.00 2.99 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 0.00 106 F 7.80 4.76 0.00 3.18 2.89 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 0.00 107 R 8.03 3.94 0.00 1.94 2.05 0.00 3.12 0.00 0.00 3.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.08 0.00 108 Q 8.16 4.20 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 109 N 7.95 5.12 0.00 2.86 2.85 0.00 0.00 6.81 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 0.00 110 L 7.92 4.18 0.00 1.72 1.77 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.45 4.33 0.00 2.87 2.99 0.00 0.00 5.98 7.71 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 0.00 112 T 7.58 4.32 4.30 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 1.26 0.00 0.00 113 Y 7.61 3.84 0.00 2.92 3.06 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 0.00 114 S 8.72 4.69 0.00 3.90 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 0.00 115 K 8.98 3.93 0.00 1.89 1.82 0.00 1.83 0.00 0.00 1.97 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.58 7.81 116 K 7.38 4.10 0.00 1.72 1.73 0.00 1.41 0.00 0.00 1.46 0.00 0.00 2.54 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.96 0.46 7.81 117 Y 7.46 4.42 0.00 1.88 1.70 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 0.00 118 M 7.04 4.21 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.92 0.00 119 L 7.68 3.59 0.00 1.73 1.69 0.95 0.76 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 0.00 120 Y 7.46 4.37 0.00 3.04 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 0.00 121 P 0.00 3.87 0.00 0.49 1.59 0.00 3.12 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.55 0.00 122 D 8.21 4.08 0.00 2.74 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 *124 F 7.87 4.69 0.00 3.17 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 0.00 125 L 7.42 4.39 0.00 1.30 1.59 0.51 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.86 4.63 0.00 2.94 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 0.00 127 K 8.49 4.56 0.00 1.87 1.90 0.00 1.57 0.00 0.00 2.07 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.35 7.81 128 G 9.01 4.32 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 0.00 0.00 0.00 129 E 8.11 4.88 0.00 1.90 1.80 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 2.27 2.37 0.00 130 L 8.31 4.81 0.00 1.61 1.33 0.68 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.46 4.61 0.00 1.84 1.73 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.47 7.81 *133 C 8.61 4.85 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.