NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 R 4.3920 8.2393 117.2803 56.1025 31.0772 174.7677 8 K 4.0991 8.0967 119.7039 56.2552 34.3143 172.8899 9 T 4.3670 8.2195 117.2068 62.4786 69.9295 175.4522 10 E 4.0494 8.8211 125.4189 59.5889 29.8660 177.4974 11 T 4.1853 7.6117 116.6433 62.1018 69.4159 174.1100 12 I 4.3585 7.9447 125.7195 58.5820 38.9040 174.2748 13 P 4.1767 0.0000 0.0000 62.9373 33.0749 177.1149 14 E 3.9275 8.6453 121.1938 59.3834 29.3053 179.4937 15 W 4.5080 8.3455 116.2189 59.7555 27.7091 178.3298 16 K 3.2151 6.8614 118.6416 59.1066 31.4247 179.1964 17 Q 3.8980 7.4102 117.3603 58.8146 28.6440 178.2553 18 E 3.9296 8.6545 120.6780 58.7805 29.4836 178.5827 19 E 3.9948 7.8832 118.5043 59.1700 29.6632 178.3840 20 V 3.5804 7.5911 117.0034 66.1920 31.5892 177.5235 21 D 4.4597 8.3866 118.2247 57.2606 40.8098 178.5753 22 A 3.9844 8.1396 121.1280 55.2502 17.7720 179.4412 23 I 3.8493 8.2297 117.6084 63.9735 37.9584 178.1960 24 V 3.6930 8.0079 119.4894 65.5373 31.1860 177.5563 25 E 3.9392 7.7939 117.9020 59.2635 29.1202 178.7995 26 M 4.1420 7.5637 117.6147 58.3891 32.1919 178.4196 27 I 3.9925 7.6919 118.4522 64.2073 37.4429 177.7235 28 E 4.1388 8.3149 119.0849 59.8396 29.6838 177.9333 29 S 4.2694 7.4716 112.9731 58.8717 64.5966 174.4176 30 Y 3.8382 8.5565 116.8486 59.1235 35.1208 170.9656 31 E 4.6694 8.8684 115.2845 58.0715 30.9498 175.6849 32 S 3.7370 8.1807 119.7977 58.5746 62.2497 172.3196 33 V 4.8078 6.7882 119.4096 60.4486 35.7804 174.6541 34 G 5.7524 8.0162 126.8265 46.1724 0.0000 169.6755 35 V 4.3447 7.1526 124.4588 60.9350 33.0478 174.8127 36 V 3.7879 8.4857 127.9553 64.1461 31.8532 174.7460 37 N 5.1289 8.8336 123.4316 51.3615 42.8015 173.3257 38 I 5.5269 8.3157 118.5028 58.5540 40.3462 174.5661 39 A 4.3691 8.6777 132.6620 51.2582 20.8350 177.3158 40 G 5.0529 7.5275 121.1436 46.8007 0.0000 172.4010 41 I 4.6623 7.1722 119.1170 57.5684 41.2028 174.3652 42 P 4.4814 0.0000 0.0000 62.6139 32.9447 177.9589 43 S 4.2324 8.4979 114.5283 61.3431 61.6728 176.5569 44 R 3.7149 7.9756 122.1003 58.9165 29.9489 177.6438 45 Q 4.3904 7.8248 118.5661 58.1617 29.4162 177.4181 46 L 4.0400 7.7934 119.7525 57.7031 41.6653 179.2053 47 Q 4.3246 7.7399 117.3268 58.3335 28.5009 178.1084 48 D 4.4083 7.3591 118.1362 56.8224 41.0537 177.6586 49 M 4.3221 7.8278 115.9766 56.5232 31.7604 177.8485 50 R 4.2108 8.0337 117.9404 57.4378 30.4703 178.0796 51 R 4.2501 7.3508 117.2342 57.1492 30.1933 175.6509 52 D 4.3348 7.4980 118.4342 54.4123 40.5608 176.1235 53 L 4.1871 8.4949 124.7672 55.1728 41.7289 175.9434 54 H 4.1363 7.5874 116.1382 55.8330 28.1219 174.6583 55 G 4.3046 8.0774 112.1225 45.8923 0.0000 173.6949 56 T 4.5386 7.7667 115.4146 62.5043 70.6703 174.3068 57 A 4.2087 7.4793 119.6105 51.1127 21.6638 174.9645 58 E 4.7093 8.0161 122.7183 54.3320 33.4297 173.6002 59 L 5.0707 8.6782 128.5784 53.1807 44.2854 175.2361 60 R 4.6756 9.0064 123.0070 54.4541 31.6617 174.7500 61 V 4.5870 8.0071 123.6787 61.1215 34.4051 174.5698 62 S 4.5744 8.0270 118.7182 57.9743 65.2604 175.7547 63 R 4.0477 8.1912 119.8027 56.3783 29.9215 177.4789 64 N 4.6621 8.8856 119.4706 54.7506 36.9938 176.7938 65 T 4.0393 7.7211 119.2784 66.5799 68.8931 176.6715 66 L 4.0706 8.1387 121.1559 57.4289 41.8128 179.4201 67 L 4.0113 7.8659 118.6439 57.9313 41.5613 178.3930 68 E 3.9059 7.9764 119.1608 59.7800 29.5111 179.0320 69 R 4.6772 8.3323 118.7610 58.6971 29.9690 178.9606 70 A 4.0276 7.8727 119.8833 55.1688 18.6233 179.3083 71 L 4.1578 7.8178 117.0252 57.7910 41.8442 179.2046 72 D 4.4113 8.4080 119.1701 57.2716 40.4699 178.2234 73 D 4.6837 8.0309 118.1247 54.5231 41.0846 176.2842 74 V 4.1925 7.4060 120.1308 61.7286 32.0732 176.2985 75 D 4.3566 8.2741 128.2091 57.0258 40.9792 177.2184 76 D 4.8048 7.4536 117.6900 53.8597 42.2604 176.7132 77 G 4.1053 8.9969 112.6578 45.7733 0.0000 174.6330 78 L 4.1352 8.1942 122.2639 57.6731 41.8324 178.7129 79 E 4.1849 8.2926 117.5991 59.2226 29.3704 178.7712 80 D 4.7261 8.2150 118.2954 56.8463 42.0181 178.0012 81 L 4.0283 8.4569 119.6266 58.0288 41.3290 178.4823 82 N 4.2143 7.7401 116.9609 55.9161 38.4695 176.1393 83 G 3.6460 7.8922 103.2805 46.0467 0.0000 174.0194 84 Y 4.2497 7.1249 115.0388 59.9710 38.5709 176.6940 85 I 3.9204 7.1827 125.3380 60.9731 36.7727 174.8965 86 T 4.3962 7.8108 123.3180 61.9853 71.3497 170.7611 87 G 3.6842 9.4014 121.9635 46.0976 0.0000 172.7612 88 Q 3.3642 8.5187 123.7262 57.1562 26.8353 171.4703 89 V 5.4509 6.3169 117.5424 59.1828 35.7787 177.5385 90 G 4.0356 8.0585 101.5919 45.4555 0.0000 173.1821 91 L 4.7296 8.2038 128.2646 54.5999 43.5281 176.3258 92 I 4.9018 7.1959 113.4441 60.6125 41.3405 173.9537 93 G 4.4051 7.7091 111.4915 45.6967 0.0000 172.1308 94 T 4.3115 7.1961 114.5362 59.8696 71.6933 173.9725 95 D 4.8252 8.9062 121.8682 54.1962 39.4904 175.9684 96 D 4.6712 7.4074 120.7886 53.6481 42.0658 175.0316 97 N 4.6002 8.2250 117.5490 53.0880 39.2524 174.1725 98 P 4.6403 0.0000 0.0000 63.8290 31.5066 176.1817 99 F 4.6663 8.9104 117.8008 59.2803 40.8749 177.4187 100 S 4.1927 8.3943 113.0080 60.1297 62.9449 175.8010 101 L 3.9185 8.3868 122.6796 57.5346 41.8501 178.5798 102 F 4.1535 8.2394 113.9906 60.9554 37.4103 177.1043 103 Q 3.6359 6.9461 117.9514 57.5311 28.6474 177.4120 104 E 3.8054 7.6263 120.1979 59.9100 29.5657 179.6106 105 L 3.9673 8.0354 117.6758 57.7120 41.7801 178.9134 106 E 4.2260 7.6435 115.4901 58.3422 29.8079 177.9964 107 A 4.0804 7.9938 120.7515 55.0607 19.5953 178.9819 108 S 4.4346 7.5072 111.4597 56.8050 59.5771 173.4739 109 K 4.6110 6.8007 121.0448 54.0363 36.5326 176.5258 110 T 3.7403 8.6389 111.1138 61.7636 67.7475 172.1331 111 P 3.8784 0.0000 0.0000 65.9709 31.8850 177.0909 112 A 4.1739 7.7956 123.1145 52.7627 19.5935 175.6146 113 P 4.6294 0.0000 0.0000 61.4417 31.9507 175.5369 114 I 5.0685 9.1405 123.8038 58.6554 39.6538 174.3424 115 G 3.1646 7.7120 115.1687 45.6542 0.0000 174.5588 116 A 4.6660 7.0557 123.3870 50.2500 19.1735 177.6697 117 G 3.8105 7.8408 109.5464 45.0729 0.0000 168.8603 118 E 4.4207 8.3714 122.6613 55.4862 29.8510 176.7180 119 V 4.3244 7.8808 116.7210 59.1465 35.5484 172.5566 *121 P 3.9300 0.0000 0.0000 62.3308 32.2009 177.0960 122 N 4.8096 8.3882 120.5147 53.2357 39.8180 172.5600 123 D 4.7188 8.5451 114.9096 56.6121 43.0893 176.6478 124 I 3.7182 7.4119 119.8347 62.8568 37.4753 178.4116 125 V 3.0096 8.4221 123.7032 64.4974 32.6441 173.8323 126 I 3.9261 6.5965 129.5911 60.7802 36.5971 173.7177 127 P 4.9471 0.0000 0.0000 61.2869 32.9479 176.1516 128 E 3.5096 8.7207 120.6869 58.4659 29.1595 179.8651 129 G 3.6020 7.8765 100.5210 46.5020 0.0000 174.5519 130 D 4.3182 7.9802 129.4891 56.8934 39.5368 181.0730 131 T 3.2748 8.2871 113.7341 61.9380 67.3887 172.2071 132 G 4.0142 7.5050 113.9670 45.7792 0.0000 173.3339 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 7 R 8.24 4.39 0.00 1.91 2.01 0.00 3.05 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 1.49 1.69 0.00 8 K 8.10 4.10 0.00 1.90 1.80 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.51 7.81 9 T 8.22 4.37 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 1.26 0.00 0.00 10 E 8.82 4.05 0.00 2.06 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 0.00 2.27 2.28 0.00 11 T 7.61 4.19 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 1.20 0.00 0.00 12 I 7.94 4.36 1.80 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 1.36 0.54 0.79 0.00 0.00 13 P 0.00 4.18 0.00 1.56 1.78 0.00 3.40 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 1.97 2.16 0.00 14 E 8.65 3.93 0.00 2.07 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 0.00 2.39 2.37 0.00 15 W 8.35 4.51 0.00 3.55 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 16 K 6.86 3.22 0.00 1.33 1.42 0.00 1.22 0.00 0.00 1.47 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.53 0.21 7.81 17 Q 7.41 3.90 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 18 E 8.65 3.93 0.00 2.04 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 2.34 2.35 0.00 19 E 7.88 3.99 0.00 2.49 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 0.00 2.46 2.43 0.00 20 V 7.59 3.58 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 0.87 0.00 0.00 0.90 0.00 0.00 21 D 8.39 4.46 0.00 2.73 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 22 A 8.14 3.98 1.44 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 23 I 8.23 3.85 1.99 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 1.44 1.36 0.98 0.00 0.00 24 V 8.01 3.69 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 1.03 0.00 0.00 1.00 0.00 0.00 25 E 7.79 3.94 0.00 2.12 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 0.00 2.28 2.33 0.00 26 M 7.56 4.14 0.00 2.20 2.35 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.78 0.00 27 I 7.69 3.99 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.77 0.94 0.00 0.00 28 E 8.31 4.14 0.00 1.98 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 2.47 0.00 29 S 7.47 4.27 0.00 3.49 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 30 Y 8.56 3.84 0.00 3.19 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 31 E 8.87 4.67 0.00 1.95 1.86 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 2.23 2.33 0.00 32 S 8.18 3.74 0.00 4.14 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 33 V 6.79 4.81 2.19 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 1.04 0.00 0.00 1.05 0.00 0.00 34 G 8.02 5.75 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 0.00 0.00 0.00 35 V 7.15 4.34 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 1.17 0.00 0.00 1.07 0.00 0.00 36 V 8.49 3.79 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 0.87 0.00 0.00 0.96 0.00 0.00 37 N 8.83 5.13 0.00 2.78 2.68 0.00 0.00 5.97 7.75 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 38 I 8.32 5.53 1.89 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 1.24 1.55 0.95 0.00 0.00 39 A 8.68 4.37 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 40 G 7.53 5.05 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 41 I 7.17 4.66 1.87 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 0.71 0.91 0.00 0.00 42 P 0.00 4.48 0.00 2.15 1.97 0.00 3.59 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 2.11 2.14 0.00 43 S 8.50 4.23 0.00 4.04 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 44 R 7.98 3.71 0.00 1.94 1.96 0.00 3.21 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 45 Q 7.82 4.39 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 46 L 7.79 4.04 0.00 1.76 1.70 0.92 0.76 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 47 Q 7.74 4.32 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 48 D 7.36 4.41 0.00 2.79 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 49 M 7.83 4.32 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.78 0.00 50 R 8.03 4.21 0.00 1.79 2.00 0.00 3.17 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 51 R 7.35 4.25 0.00 2.05 1.96 0.00 3.16 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 52 D 7.50 4.33 0.00 2.60 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 53 L 8.49 4.19 0.00 1.88 1.68 0.92 0.70 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 54 H 7.59 4.14 0.00 3.08 3.18 0.00 5.74 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 55 G 8.08 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 0.00 0.00 0.00 0.00 56 T 7.77 4.54 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 1.24 0.00 0.00 57 A 7.48 4.21 1.13 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 0.00 0.00 58 E 8.02 4.71 0.00 2.32 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 2.29 2.31 0.00 59 L 8.68 5.07 0.00 1.63 1.52 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 60 R 9.01 4.68 0.00 1.91 2.06 0.00 2.81 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 61 V 8.01 4.59 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 0.93 0.00 0.00 0.94 0.00 0.00 62 S 8.03 4.57 0.00 4.05 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 63 R 8.19 4.05 0.00 2.00 1.99 0.00 3.38 0.00 0.00 3.52 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.83 0.00 64 N 8.89 4.66 0.00 3.01 3.08 0.00 0.00 6.26 7.22 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 65 T 7.72 4.04 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 66 L 8.14 4.07 0.00 1.80 1.71 0.94 0.62 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 67 L 7.87 4.01 0.00 1.71 1.74 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 68 E 7.98 3.91 0.00 2.06 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 2.51 2.38 0.00 69 R 8.33 4.68 0.00 1.83 1.97 0.00 3.18 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.66 0.00 70 A 7.87 4.03 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 71 L 7.82 4.16 0.00 1.93 1.88 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.41 4.41 0.00 2.83 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 73 D 8.03 4.68 0.00 2.81 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 74 V 7.41 4.19 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 1.00 0.00 0.00 0.98 0.00 0.00 75 D 8.27 4.36 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 76 D 7.45 4.80 0.00 2.77 2.59 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 77 G 9.00 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 78 L 8.19 4.14 0.00 1.70 1.67 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.29 4.18 0.00 2.11 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 2.43 2.34 0.00 80 D 8.22 4.73 0.00 2.77 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 81 L 8.46 4.03 0.00 1.89 1.93 1.02 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 82 N 7.74 4.21 0.00 3.08 2.91 0.00 0.00 6.90 7.53 0.00 0.00 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 G 7.89 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 84 Y 7.12 4.25 0.00 3.33 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 85 I 7.18 3.92 1.92 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 1.32 0.77 1.03 0.00 0.00 86 T 7.81 4.40 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 1.20 0.00 0.00 87 G 9.40 3.68 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 0.00 0.00 0.00 88 Q 8.52 3.36 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.65 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 89 V 6.32 5.45 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 0.79 0.00 0.00 0.97 0.00 0.00 90 G 8.06 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 91 L 8.20 4.73 0.00 1.60 1.62 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.20 4.90 1.75 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 1.28 1.46 0.86 0.00 0.00 93 G 7.71 4.41 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 0.00 94 T 7.20 4.31 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 1.06 0.00 0.00 95 D 8.91 4.83 0.00 2.86 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 96 D 7.41 4.67 0.00 2.64 2.70 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 97 N 8.23 4.60 0.00 2.90 2.77 0.00 0.00 7.66 7.59 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 98 P 0.00 4.64 0.00 2.26 2.08 0.00 3.87 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 2.13 2.17 0.00 99 F 8.91 4.67 0.00 3.15 3.27 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 0.00 100 S 8.39 4.19 0.00 3.99 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 0.00 101 L 8.39 3.92 0.00 1.72 1.72 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 102 F 8.24 4.15 0.00 3.23 3.27 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 0.00 103 Q 6.95 3.64 0.00 1.70 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 1.41 1.16 0.00 104 E 7.63 3.81 0.00 2.18 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 2.27 2.34 0.00 105 L 8.04 3.97 0.00 1.61 1.71 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.64 4.23 0.00 2.22 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 2.35 2.51 0.00 107 A 7.99 4.08 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 0.00 108 S 7.51 4.43 0.00 4.15 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 0.00 109 K 6.80 4.61 0.00 1.89 1.63 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.45 7.81 110 T 8.64 3.74 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 1.21 0.00 0.00 111 P 0.00 3.88 0.00 2.19 2.15 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 112 A 7.80 4.17 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 0.00 113 P 0.00 4.63 0.00 2.05 2.01 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 114 I 9.14 5.07 1.87 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 1.33 1.08 0.91 0.00 0.00 115 G 7.71 3.16 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 0.00 116 A 7.06 4.67 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 0.00 117 G 7.84 3.81 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 0.00 0.00 0.00 118 E 8.37 4.42 0.00 1.83 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 2.43 2.47 0.00 119 V 7.88 4.32 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 0.68 0.00 0.00 0.94 0.00 0.00 *121 P 0.00 3.93 0.00 1.89 1.58 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 122 N 8.39 4.81 0.00 2.99 2.79 0.00 0.00 6.96 8.06 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 0.00 123 D 8.55 4.72 0.00 2.87 2.62 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 0.00 124 I 7.41 3.72 1.89 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 1.20 0.76 0.93 0.00 0.00 125 V 8.42 3.01 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 0.77 0.00 0.00 0.94 0.00 0.00 126 I 6.60 3.93 1.81 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.65 0.73 0.00 0.00 127 P 0.00 4.95 0.00 1.57 1.70 0.00 4.05 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 1.55 1.80 0.00 128 E 8.72 3.51 0.00 1.55 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 2.25 2.23 0.00 129 G 7.88 3.60 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 0.00 0.00 0.00 130 D 7.98 4.32 0.00 2.75 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 0.00 131 T 8.29 3.27 3.76 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 0.48 0.00 0.00 132 G 7.51 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.