NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.9069 8.2833 118.2182 52.4398 38.8994 174.6599 2 L 4.2431 8.2895 116.9102 56.7126 41.4311 174.5177 3 V 3.4475 8.6809 119.6323 66.0162 32.0642 177.6443 4 Q 4.1756 8.2345 117.4286 58.5926 28.4044 178.5267 5 F 4.4138 8.1724 121.6093 61.5549 39.6740 176.9419 6 S 3.8074 8.0280 112.7295 61.7852 61.9684 175.8924 7 Y 4.4143 7.6419 119.2504 61.0898 37.5979 178.3355 8 L 3.8900 7.9344 119.9040 57.3444 41.6181 179.7069 9 I 3.3523 7.5849 120.0809 64.4894 37.0766 178.5625 10 Q 4.2155 7.8420 118.1830 58.6324 28.1980 178.0595 11 C 4.0957 7.6637 118.6660 59.4775 43.8195 174.6361 12 A 3.4355 7.4753 122.4419 54.1758 17.9818 177.8327 13 N 4.5749 7.8651 111.4677 52.6370 38.6054 174.4496 14 H 3.8754 8.6270 116.0327 57.0131 25.9738 176.7231 15 G 4.0789 8.3286 109.2584 45.9474 0.0000 176.1556 16 R 4.0676 7.4603 115.6796 58.5234 29.3660 177.0470 17 R 4.3484 7.3075 117.8262 53.2879 33.3456 172.8117 18 P 4.3350 0.0000 0.0000 63.0277 32.1730 177.5895 19 T 4.1753 8.5075 117.9269 66.6806 68.2115 176.7935 20 R 4.0155 8.1682 120.3978 60.1132 29.7138 178.0396 21 H 4.2285 7.9602 114.3172 58.3940 28.6474 176.4992 22 Y 4.4269 7.6481 116.7442 59.0700 38.2326 176.3244 23 M 4.2694 7.8797 118.4605 56.5671 33.1613 176.0272 24 D 4.7134 7.9599 117.6228 52.3684 41.2820 172.7735 25 Y 4.6989 7.8876 122.2432 56.3345 42.7534 175.4902 26 G 3.5812 7.5555 115.4109 47.3646 0.0000 174.0816 27 C 4.4379 9.2858 117.1339 57.8210 35.6109 174.0980 28 Y 4.3810 8.6283 116.0088 58.3279 39.3094 175.0852 29 C 4.5161 8.1473 119.0244 57.6453 40.5782 174.1739 30 G 3.8159 8.8325 111.8114 44.6087 0.0000 174.2026 31 W 3.6508 7.6900 117.5581 56.8179 27.3496 174.5572 32 G 3.8121 8.0206 108.2986 43.9855 0.0000 174.1609 33 G 3.6059 8.6030 116.4249 45.1682 0.0000 172.0988 34 S 4.3934 7.3155 117.6700 58.4613 66.3895 175.9736 35 G 3.7213 8.2879 112.8814 47.3372 0.0000 173.8786 36 T 4.5906 8.3010 119.9650 60.6972 70.0260 172.3211 37 P 4.7362 0.0000 0.0000 63.1495 31.3362 177.0784 38 V 3.7755 8.6823 117.4756 63.5235 32.1583 175.7313 39 D 4.7891 7.6002 117.3211 51.6685 45.8057 175.4478 40 E 3.9892 8.6697 120.2283 59.4682 29.4087 179.3841 41 L 4.0194 8.1778 120.2428 58.0475 41.9899 178.4529 42 D 4.5995 8.0920 117.7164 57.1530 41.2652 178.2406 43 R 3.9150 7.9598 118.4671 59.1427 30.1321 178.1592 44 C 4.3455 8.2023 116.1062 60.3131 37.6359 175.4172 45 C 4.3741 7.9688 116.5263 59.2348 39.9055 176.1536 46 K 3.7713 7.7194 121.1503 59.5723 31.8085 178.8135 47 I 3.6373 7.7474 120.1420 64.7765 36.9737 177.9371 48 H 4.0752 8.1441 118.5982 59.2608 29.4723 176.8955 49 D 4.5417 7.9557 118.8597 57.4988 41.3274 177.6527 50 D 4.5724 8.5523 119.8359 57.0862 40.7988 177.9749 51 C 4.3889 8.2793 119.2606 60.0381 38.1684 175.2485 52 Y 4.1695 8.1900 117.9583 60.8144 37.4089 178.7939 53 S 4.2854 8.0020 116.2141 61.3655 62.9050 176.1786 54 D 4.3505 8.2096 120.0655 57.0613 40.9273 178.1039 55 A 3.5805 8.0648 121.2468 55.3538 18.2994 179.7020 56 E 4.0396 7.9529 116.3172 59.2141 29.3270 179.5637 57 K 4.0330 7.8035 117.9585 58.4512 31.9785 178.6359 *59 K 4.3622 7.3327 115.8264 55.5839 33.6623 176.3936 60 G 3.8502 7.6615 106.1439 45.0895 0.0000 172.9769 61 C 4.2302 8.0409 118.6768 55.7820 34.5508 172.9015 *67 S 4.8288 8.3281 118.6448 57.4287 62.5875 172.5754 68 P 3.9910 0.0000 0.0000 65.3126 31.2711 178.0088 69 K 3.9363 7.7092 118.2962 59.8636 32.1899 177.4759 70 M 4.1978 7.5015 114.9048 55.9678 31.9554 176.9928 71 S 4.3040 7.7226 115.8713 57.3894 62.0662 173.9141 72 A 4.8833 8.6119 129.2982 50.2232 18.3900 175.7844 73 Y 4.8121 7.5309 121.8809 56.3514 40.9920 173.7412 74 D 5.1822 9.1703 118.7690 53.1228 44.1139 175.1682 75 Y 5.4653 8.2712 122.3647 55.9920 42.2850 173.3808 76 Y 4.3032 8.7250 119.5085 56.1106 42.4368 173.0068 77 C 4.2684 8.0108 127.3763 55.2948 43.3436 173.1566 78 G 4.1930 8.2154 116.5842 44.3644 0.0000 172.1749 79 E 4.2809 8.8525 115.7331 57.9037 29.9827 176.9111 80 N 4.7884 8.2539 115.4642 52.4333 39.0678 172.8724 81 G 3.7338 7.4584 103.7287 43.0168 0.0000 171.7223 82 P 4.7367 0.0000 0.0000 62.8351 32.3837 175.0486 83 Y 5.1398 8.2751 116.5476 56.0805 41.5762 173.2526 84 C 5.3222 9.1141 119.1898 56.9246 41.2938 173.6764 85 R 4.5382 8.8974 119.9914 56.1604 31.1320 176.3205 86 N 4.7600 8.2576 116.8846 53.1009 39.6360 173.8594 87 I 4.4610 8.2373 120.4785 63.2350 39.8665 177.3474 88 K 4.1312 8.2037 117.3834 59.5361 32.4716 179.3227 89 K 4.3925 7.7678 121.3970 55.7066 29.8918 177.4145 90 K 4.0140 8.3926 123.0887 59.6964 32.2526 179.0953 91 C 4.4439 8.1795 116.1762 59.7725 38.3314 175.9455 92 L 4.0693 7.9299 120.4318 57.7578 41.3024 179.2937 93 R 3.9262 8.0329 118.3510 59.0590 29.9490 178.2693 94 F 3.8706 8.2708 120.5949 61.4475 39.5486 177.3766 95 V 3.7320 8.0225 117.8010 66.0508 31.1697 177.1275 96 C 3.1315 7.8836 118.4232 59.3131 40.6323 175.3366 97 D 4.0998 7.9011 120.5106 57.1622 40.1483 178.1760 98 C 4.1660 7.7770 116.8821 60.2039 37.8108 175.9109 99 D 3.9048 7.8519 119.9745 57.0176 40.4285 179.1153 100 V 3.5711 8.0575 119.2904 66.1161 31.6994 178.0887 101 E 4.0904 8.2085 118.0476 59.0528 29.1363 179.1962 102 A 3.7127 7.6731 121.0758 54.5763 17.8966 179.4060 103 A 3.4009 7.6857 119.3014 55.3496 18.4331 179.9880 104 F 4.1266 8.0030 116.0745 60.5100 38.9340 177.1241 105 C 4.2824 8.1525 118.0776 59.9395 43.2794 175.6038 106 F 4.2229 8.1117 117.8124 60.6545 38.4195 177.2835 107 A 4.2549 7.5926 118.8575 54.9895 18.4400 179.4696 108 K 4.1509 8.1084 115.2572 57.5117 32.6814 177.6035 109 A 4.3440 7.6299 122.7619 50.4900 19.1660 175.5112 110 P 4.3210 0.0000 0.0000 62.9262 31.9445 175.3824 111 Y 4.3071 8.4326 122.6467 55.8150 39.2011 174.7734 112 N 4.6961 8.8743 126.7747 52.6976 38.4905 176.5056 113 N 4.6199 8.9724 121.5053 55.9130 38.9650 177.1027 114 A 4.1239 8.0125 119.6464 54.0753 18.7938 177.4777 115 N 4.4512 7.7662 112.3903 52.4415 39.1538 174.4413 116 W 3.9886 7.4364 129.2038 57.6658 31.6541 175.4544 117 N 3.4816 7.5912 124.3286 54.1981 36.6825 173.6614 118 I 3.8747 6.8797 110.4734 59.9176 39.5213 176.4354 119 D 4.3858 8.2287 120.7583 54.2048 41.1561 176.7872 120 T 4.0884 8.1791 118.6353 63.8446 68.8221 176.4455 121 K 3.9896 7.9001 120.9071 58.6289 32.1871 178.4133 122 K 4.2500 7.6046 117.4974 58.7952 32.8843 179.0082 123 R 4.1367 8.2336 116.7876 57.7287 30.4054 176.4909 124 C 4.9390 7.7748 115.8903 56.5635 40.9599 173.9110 125 Q 4.1986 8.0219 123.3696 56.0951 28.5480 176.0277 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 N 8.28 4.91 0.00 2.97 3.23 0.00 0.00 6.15 5.79 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 2 L 8.29 4.24 0.00 1.94 1.91 1.05 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.68 3.45 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 0.81 0.00 0.00 0.90 0.00 0.00 4 Q 8.23 4.18 0.00 2.22 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 5 F 8.17 4.41 0.00 3.25 3.32 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 6 S 8.03 3.81 0.00 3.91 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 0.00 7 Y 7.64 4.41 0.00 3.15 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 8 L 7.93 3.89 0.00 1.80 1.57 0.98 0.07 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 9 I 7.58 3.35 1.77 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.07 0.70 0.00 0.00 10 Q 7.84 4.22 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.83 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 11 C 7.66 4.10 0.00 2.94 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 12 A 7.48 3.44 0.59 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 13 N 7.87 4.57 0.00 2.86 2.93 0.00 0.00 7.03 7.72 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 14 H 8.63 3.88 0.00 3.46 3.40 0.00 5.87 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 15 G 8.33 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 0.00 0.00 0.00 16 R 7.46 4.07 0.00 1.84 2.09 0.00 3.03 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.59 0.00 17 R 7.31 4.35 0.00 1.72 1.75 0.00 2.42 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.10 0.00 18 P 0.00 4.34 0.00 1.92 1.84 0.00 3.01 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.94 0.00 19 T 8.51 4.18 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 1.19 0.00 0.00 20 R 8.17 4.02 0.00 1.92 1.98 0.00 3.25 0.00 0.00 3.40 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 21 H 7.96 4.23 0.00 2.79 2.84 0.00 5.89 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.65 4.43 0.00 3.02 2.52 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 0.00 0.00 0.00 0.00 23 M 7.88 4.27 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.95 0.00 24 D 7.96 4.71 0.00 2.55 2.18 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 25 Y 7.89 4.70 0.00 2.80 2.65 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 26 G 7.56 3.58 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 0.00 27 C 9.29 4.44 0.00 3.18 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 28 Y 8.63 4.38 0.00 3.35 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 29 C 8.15 4.52 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 30 G 8.83 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 0.00 0.00 0.00 31 W 7.69 3.65 0.00 3.81 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 32 G 8.02 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 33 G 8.60 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 34 S 7.32 4.39 0.00 4.05 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 35 G 8.29 3.72 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 0.00 0.00 0.00 36 T 8.30 4.59 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 1.25 0.00 0.00 37 P 0.00 4.74 0.00 2.04 2.01 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 38 V 8.68 3.78 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 0.68 0.00 0.00 0.91 0.00 0.00 39 D 7.60 4.79 0.00 2.75 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 40 E 8.67 3.99 0.00 2.10 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 2.43 2.41 0.00 41 L 8.18 4.02 0.00 1.66 1.63 0.55 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.09 4.60 0.00 3.02 2.86 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 43 R 7.96 3.92 0.00 2.12 1.94 0.00 3.18 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 44 C 8.20 4.35 0.00 3.49 3.40 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 45 C 7.97 4.37 0.00 3.30 3.17 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 46 K 7.72 3.77 0.00 0.79 1.58 0.00 0.71 0.00 0.00 1.28 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.17 0.89 7.81 47 I 7.75 3.64 2.06 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.75 0.89 0.00 0.00 48 H 8.14 4.08 0.00 3.25 3.39 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.96 4.54 0.00 3.07 3.02 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 50 D 8.55 4.57 0.00 2.94 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 51 C 8.28 4.39 0.00 3.18 3.24 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 0.00 52 Y 8.19 4.17 0.00 3.29 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 53 S 8.00 4.29 0.00 4.12 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 54 D 8.21 4.35 0.00 3.02 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 55 A 8.06 3.58 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.95 4.04 0.00 2.10 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 2.25 2.43 0.00 57 K 7.80 4.03 0.00 1.95 1.80 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.62 7.81 *59 K 7.33 4.36 0.00 1.60 1.70 0.00 0.83 0.00 0.00 0.61 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.32 7.81 60 G 7.66 3.85 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 61 C 8.04 4.23 0.00 2.92 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 *67 S 8.33 4.83 0.00 3.82 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 68 P 0.00 3.99 0.00 1.05 0.58 0.00 3.49 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 69 K 7.71 3.94 0.00 1.55 1.74 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.46 7.81 70 M 7.50 4.20 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 71 S 7.72 4.30 0.00 3.95 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 72 A 8.61 4.88 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 7.53 4.81 0.00 3.35 3.20 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 74 D 9.17 5.18 0.00 2.89 2.80 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 75 Y 8.27 5.47 0.00 3.14 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 76 Y 8.72 4.30 0.00 2.84 1.62 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 77 C 8.01 4.27 0.00 2.94 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 78 G 8.22 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 79 E 8.85 4.28 0.00 2.18 2.16 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 2.39 2.44 0.00 80 N 8.25 4.79 0.00 2.88 3.02 0.00 0.00 7.09 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 81 G 7.46 3.73 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 0.00 0.00 0.00 82 P 0.00 4.74 0.00 2.17 1.95 0.00 2.87 0.00 0.00 3.44 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 83 Y 8.28 5.14 0.00 3.10 3.15 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 84 C 9.11 5.32 0.00 2.96 3.12 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 85 R 8.90 4.54 0.00 2.05 2.05 0.00 3.30 0.00 0.00 3.62 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.86 0.00 86 N 8.26 4.76 0.00 2.77 2.81 0.00 0.00 6.75 7.45 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 87 I 8.24 4.46 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 1.45 0.90 0.93 0.00 0.00 88 K 8.20 4.13 0.00 1.77 1.88 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.48 7.81 89 K 7.77 4.39 0.00 1.84 1.82 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.45 7.81 90 K 8.39 4.01 0.00 1.82 1.91 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.84 7.81 91 C 8.18 4.44 0.00 2.98 3.15 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 92 L 7.93 4.07 0.00 1.97 1.89 1.01 1.04 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 93 R 8.03 3.93 0.00 2.00 2.12 0.00 3.16 0.00 0.00 3.41 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 94 F 8.27 3.87 0.00 3.25 3.13 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 95 V 8.02 3.73 2.16 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 0.99 0.00 0.00 1.04 0.00 0.00 96 C 7.88 3.13 0.00 2.52 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 97 D 7.90 4.10 0.00 2.61 2.49 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 98 C 7.78 4.17 0.00 3.24 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 99 D 7.85 3.90 0.00 2.80 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 0.00 100 V 8.06 3.57 2.16 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 1.28 0.00 0.00 0.99 0.00 0.00 101 E 8.21 4.09 0.00 2.08 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 2.32 2.50 0.00 102 A 7.67 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.69 3.40 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 0.00 104 F 8.00 4.13 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.15 4.28 0.00 3.27 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 0.00 106 F 8.11 4.22 0.00 2.71 2.40 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 0.00 107 A 7.59 4.25 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 0.00 108 K 8.11 4.15 0.00 1.91 1.94 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.69 7.81 109 A 7.63 4.34 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 0.00 110 P 0.00 4.32 0.00 2.25 2.12 0.00 3.86 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 111 Y 8.43 4.31 0.00 2.88 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 0.00 112 N 8.87 4.70 0.00 2.86 2.80 0.00 0.00 6.67 6.27 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 0.00 113 N 8.97 4.62 0.00 2.83 2.96 0.00 0.00 6.99 7.54 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 0.00 114 A 8.01 4.12 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 0.00 115 N 7.77 4.45 0.00 2.20 2.10 0.00 0.00 6.48 7.78 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 0.00 116 W 7.44 3.99 0.00 3.22 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 0.00 117 N 7.59 3.48 0.00 1.44 1.83 0.00 0.00 7.26 7.55 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 0.00 118 I 6.88 3.87 1.73 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 1.05 0.55 0.76 0.00 0.00 119 D 8.23 4.39 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.18 4.09 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 1.15 0.00 0.00 121 K 7.90 3.99 0.00 1.84 1.87 0.00 1.56 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.54 7.81 122 K 7.60 4.25 0.00 1.76 1.81 0.00 1.56 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.48 7.81 123 R 8.23 4.14 0.00 1.81 1.92 0.00 3.23 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 124 C 7.77 4.94 0.00 3.06 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 0.00 125 Q 8.02 4.20 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.65 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.