NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 M 4.4257 8.3044 118.2007 55.1836 32.5928 173.5578 9 R 4.3756 8.1818 118.5031 53.7134 31.6758 173.7225 10 I 3.9521 8.4783 127.4765 61.9400 38.3542 175.5725 11 T 4.6339 8.3851 115.7047 61.5357 69.2215 174.8650 12 Q 4.1883 7.9525 120.3021 56.9326 29.6209 176.5997 13 G 4.0735 8.5283 105.8926 46.0560 0.0000 174.2797 14 T 3.7330 8.3782 118.3251 65.5197 68.5858 175.6653 15 F 5.1276 7.7875 118.0824 57.3141 39.9096 176.7002 16 S 4.3873 8.4513 116.6881 60.5446 62.5726 174.8694 17 F 4.2936 8.2960 117.8284 57.4089 39.3340 175.3114 18 L 4.8381 7.7827 120.9021 51.8280 43.8974 174.5787 19 P 4.3744 0.0000 0.0000 62.3864 31.8263 176.3278 20 D 4.4238 8.7519 120.2438 54.8888 41.1557 177.2624 21 L 4.3163 8.5207 123.8903 55.0613 42.5360 177.4434 22 T 4.4307 8.5670 112.5547 60.8954 71.6184 175.8674 23 D 4.5398 8.6486 121.8029 57.5660 40.8811 179.2521 24 E 3.9940 8.0744 118.8323 59.3970 29.6418 179.0203 25 Q 3.9324 8.0626 118.0536 58.9860 28.7238 178.7717 26 I 3.7242 8.3855 121.1594 64.3160 37.1502 178.1658 27 K 3.9102 8.1367 120.3692 59.7048 31.9650 178.9455 28 K 4.1905 7.8922 118.1657 59.5323 31.8821 179.3753 29 Q 4.0410 7.9649 118.3880 59.1056 28.5136 178.9576 30 I 3.8697 8.1856 120.8882 64.2630 37.0642 178.2919 31 D 4.3596 7.9437 119.5353 57.5824 40.5011 177.9463 32 Y 4.1408 7.9093 118.4975 61.1040 39.0154 177.9382 33 M 4.0939 8.4827 119.5587 58.5114 32.1862 178.6707 34 I 3.7363 8.0594 120.4188 64.5274 37.0441 178.6009 35 S 4.2366 7.9355 113.9285 60.5847 62.9110 175.5511 36 K 4.2339 7.3668 120.5248 54.7928 32.0272 176.3727 37 K 3.8513 7.5904 116.5067 57.2670 30.3290 175.2046 38 L 4.6835 7.8230 115.9479 54.3601 43.2809 176.2176 39 A 4.7576 9.0655 122.8188 50.7400 21.3156 176.1175 40 I 4.8129 8.7197 123.2055 59.5082 39.6502 175.2129 41 G 4.5141 9.1587 113.9192 44.3392 0.0000 171.5602 42 I 5.1798 8.3261 120.9283 59.4138 40.5675 174.5414 43 E 5.5754 9.0475 125.2820 55.2011 34.3788 173.9803 44 Y 6.2614 8.9098 118.6786 57.3939 42.1475 173.3027 45 T 4.6927 7.9505 108.3165 61.0177 71.6093 172.3231 46 N 5.1789 8.6312 117.7812 52.2465 38.0837 175.2938 47 D 4.6895 7.3714 116.4271 54.1537 41.7276 175.2211 48 I 3.9879 7.5471 113.7683 60.4340 38.0340 176.6701 49 H 4.3539 8.5339 121.8530 56.6960 29.9529 174.3188 50 P 4.5235 0.0000 0.0000 65.1172 31.4785 176.9713 51 R 4.1688 7.8738 116.8450 56.3869 30.1598 175.2646 *64 N 4.7151 8.0586 115.7955 53.6581 38.4926 173.5323 65 A 3.9557 8.1572 126.8479 53.3918 18.9306 177.4048 66 Y 4.8358 7.3856 113.1482 55.7526 38.0161 175.3440 67 W 4.6331 8.4511 123.7074 55.8606 30.8596 175.5810 68 E 4.0132 9.0839 122.0170 56.6035 29.7869 176.6390 69 I 4.2896 8.2878 125.2220 60.8521 38.3797 175.9209 70 W 4.6298 9.4218 135.0000 56.5877 29.9709 177.4116 71 G 3.5591 8.1018 117.1390 44.9479 0.0000 170.3760 72 L 4.6582 8.0648 121.8919 52.2377 44.2402 175.4387 73 P 4.3877 0.0000 0.0000 62.5471 32.0709 175.6436 74 L 4.3078 8.7750 120.8262 53.8033 41.9918 176.2463 75 F 4.5022 8.1270 124.3598 58.9368 39.8982 176.4321 76 D 4.7476 8.0508 126.3868 53.5012 40.1381 177.1369 77 V 3.8661 7.4087 119.1542 63.2500 32.7172 175.5098 78 T 4.4867 8.4883 120.7631 62.8104 71.2149 173.2093 79 D 4.8623 7.8795 120.8270 51.1305 42.7791 174.2575 80 P 4.3434 0.0000 0.0000 65.9858 30.9953 178.0785 81 A 4.0118 8.2984 119.9217 54.9577 18.4518 179.1204 82 A 3.9882 7.9589 118.9239 55.3954 18.4537 180.1316 83 V 3.7065 7.7845 116.1593 66.1690 31.8965 177.8304 84 L 4.0489 8.3683 120.3359 57.8736 41.6825 178.7545 85 F 4.1348 8.3960 120.9100 61.4621 39.3191 177.0145 86 E 4.0240 8.0461 117.0056 59.3625 29.2602 179.1383 87 I 3.4595 7.7355 119.9373 64.7307 37.1050 178.1787 88 N 4.1984 7.9953 116.5258 55.8030 38.3686 177.3138 89 A 3.7349 7.7329 122.5858 55.2570 18.4516 179.2907 90 C 2.4500 7.9254 117.4684 61.9044 31.2775 175.7259 91 R 3.6622 7.4539 119.6550 59.2206 29.3842 178.9560 92 K 3.9020 7.8223 118.2273 59.3447 32.3097 178.4184 93 A 4.1659 7.4066 119.4650 53.3102 19.7766 177.5608 94 R 4.2915 7.9862 115.8901 54.4410 30.5698 176.0706 95 S 4.2497 8.3011 116.9604 60.8424 63.5997 177.4645 96 N 4.7463 7.9463 115.6088 53.0267 37.5643 174.1775 97 F 4.6577 7.5627 115.2933 56.7086 43.5506 175.3816 98 Y 4.4266 8.9630 118.6769 57.8848 39.3430 174.9341 99 I 5.6037 8.8337 123.0847 59.6516 41.7724 174.5571 100 K 5.0156 9.3745 124.0661 55.3068 36.7707 174.8894 101 V 4.5824 8.0671 121.6623 61.0680 33.7247 174.4837 102 V 4.8268 8.8108 127.7986 60.9528 34.8138 174.2343 103 G 4.3991 9.2054 114.9568 44.5830 0.0000 171.5708 104 F 5.1948 9.5886 129.4814 56.5015 41.6243 174.3808 105 S 4.8859 7.8790 120.6163 56.6083 64.5308 174.3320 106 S 4.8311 8.3822 120.0131 58.0610 63.7977 174.5126 107 V 3.6527 7.4740 122.0383 62.8033 31.8485 176.5756 107A R 3.8742 8.9189 128.2250 59.6871 29.9179 177.8274 107B G 3.6653 8.0151 104.4213 47.9162 0.0000 173.9092 108 I 3.8523 7.3279 120.4442 60.9178 38.3483 176.0040 109 E 3.8832 7.7468 119.0349 55.2935 27.2609 173.3922 110 S 4.4766 6.1334 111.1445 57.4336 65.7726 173.5952 111 T 4.4716 8.4886 120.1630 63.8120 68.4806 174.5317 112 I 4.4950 8.2965 117.9638 59.6276 38.4646 174.8598 113 I 4.0953 7.3786 117.5712 61.1249 41.2209 173.0266 114 S 5.0102 8.1218 122.4059 57.6674 65.5603 173.0453 115 F 5.3627 8.5661 122.4156 54.8159 41.4616 174.3449 116 I 4.4917 8.6539 121.2551 61.4740 37.7013 176.1097 117 V 4.6263 8.7825 118.0346 60.1627 33.9703 174.8678 118 N 4.3466 7.6460 116.7328 53.5150 41.7247 173.7065 119 R 4.2375 8.4634 123.7331 53.1966 32.8548 173.2367 120 P 4.2211 0.0000 0.0000 62.0166 32.0106 177.5046 121 K 4.1876 8.3706 118.3220 59.4044 32.1349 177.3992 122 H 4.7380 7.7013 116.3778 54.5296 32.8028 171.9574 123 E 4.6594 8.4769 127.6683 53.7579 29.8670 173.5069 124 P 4.1789 0.0000 0.0000 63.9497 32.1503 176.8274 125 G 3.8305 8.3545 103.6775 43.7870 0.0000 171.7315 126 F 5.0721 8.5153 116.0878 55.6718 42.1923 174.6274 127 N 4.8992 8.7207 119.9895 51.2951 41.0909 173.6900 128 L 4.8303 8.4767 126.6752 53.5601 44.0045 175.4349 129 M 4.3755 9.1805 127.4033 55.2232 33.5438 176.1610 130 R 4.4869 8.4859 121.4484 54.2356 31.6760 173.4465 131 Q 4.2221 8.4368 124.5848 54.5944 30.1521 174.4417 132 E 4.1502 8.7311 127.4105 56.1822 29.6229 176.1824 133 D 4.8535 8.5728 127.4617 53.6826 40.8264 176.6001 134 K 4.2056 8.5365 116.4652 57.4430 34.1079 177.5529 135 S 3.5240 8.3468 118.5965 60.1885 62.3850 173.9427 136 R 4.4480 8.7803 127.4867 56.8722 30.7019 176.2567 137 S 4.4263 8.1175 115.6684 58.7901 64.0909 173.3766 138 I 4.7525 8.0349 122.0259 59.4849 40.8543 175.0627 139 K 4.3939 8.6808 126.1990 55.1904 33.1836 175.5705 140 Y 4.9082 8.5735 122.9705 57.8701 39.5235 175.5581 141 T 4.7515 8.5946 117.9158 62.2566 73.0509 172.8701 142 I 5.0166 8.4920 126.6726 59.9270 39.9503 174.7204 143 H 4.9190 8.8777 125.5351 54.7407 33.5461 173.0141 144 S 4.1714 8.5241 120.7822 58.0258 63.5403 174.5443 145 Y 4.4694 8.1378 121.1768 61.4128 37.4817 179.0148 146 E 3.8710 7.9459 119.0512 59.0601 29.3753 178.7599 147 S 4.1937 7.6398 113.5760 60.2778 62.8980 174.9956 148 Y 4.5122 7.3817 118.1301 57.5887 38.1534 175.0579 149 K 4.7480 7.3193 119.6668 53.2343 35.5847 174.3495 150 P 4.4514 0.0000 0.0000 62.7063 31.9878 176.9848 151 E 3.9162 9.0551 119.6921 59.9244 29.3892 178.9030 152 D 4.7338 8.1252 113.9734 54.5230 39.4809 176.0789 153 E 4.6282 8.0317 117.7469 56.0476 30.9171 176.0605 154 R 4.1044 7.6371 118.9906 56.8042 30.9786 176.2534 155 Y 3.8902 9.3222 119.4655 58.6829 38.6017 170.4935 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 8 M 8.30 4.43 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.71 0.00 9 R 8.18 4.38 0.00 1.82 1.77 0.00 3.18 0.00 0.00 3.07 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.74 0.00 10 I 8.48 3.95 1.88 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.58 0.87 0.00 0.00 11 T 8.39 4.63 4.50 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 1.03 0.00 0.00 12 Q 7.95 4.19 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.44 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 13 G 8.53 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.38 3.73 3.25 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 0.32 0.00 0.00 15 F 7.79 5.13 0.00 3.09 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 16 S 8.45 4.39 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.30 4.29 0.00 3.05 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 18 L 7.78 4.84 0.00 1.82 1.60 0.93 1.34 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 19 P 0.00 4.37 0.00 2.04 1.99 0.00 3.72 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 2.03 2.12 0.00 20 D 8.75 4.42 0.00 2.68 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.52 4.32 0.00 1.71 1.59 0.86 0.75 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 22 T 8.57 4.43 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 1.20 0.00 0.00 23 D 8.65 4.54 0.00 2.72 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 24 E 8.07 3.99 0.00 1.97 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 2.40 2.34 0.00 25 Q 8.06 3.93 0.00 2.28 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 26 I 8.39 3.72 2.09 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 1.66 0.84 1.11 0.00 0.00 27 K 8.14 3.91 0.00 2.07 2.09 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.67 7.81 28 K 7.89 4.19 0.00 2.02 1.80 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.60 7.81 29 Q 7.96 4.04 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.18 1.74 0.00 30 I 8.19 3.87 2.12 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 1.69 1.10 0.99 0.00 0.00 31 D 7.94 4.36 0.00 2.92 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 32 Y 7.91 4.14 0.00 2.96 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 33 M 8.48 4.09 0.00 2.17 2.33 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.13 2.85 0.00 34 I 8.06 3.74 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.12 0.98 0.00 0.00 35 S 7.94 4.24 0.00 3.99 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 36 K 7.37 4.23 0.00 1.61 1.68 0.00 1.73 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.83 0.82 7.81 37 K 7.59 3.85 0.00 1.83 1.86 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.44 7.81 38 L 7.82 4.68 0.00 1.55 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 39 A 9.07 4.76 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 40 I 8.72 4.81 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.86 0.99 0.00 0.00 41 G 9.16 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 5.18 2.14 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.85 0.84 0.00 0.00 43 E 9.05 5.58 0.00 1.94 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 2.28 2.28 0.00 44 Y 8.91 6.26 0.00 3.23 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 45 T 7.95 4.69 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 1.04 0.00 0.00 46 N 8.63 5.18 0.00 2.82 2.21 0.00 0.00 5.74 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 47 D 7.37 4.69 0.00 2.60 2.42 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 48 I 7.55 3.99 1.75 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.47 -0.00 0.00 0.00 49 H 8.53 4.35 0.00 3.39 3.25 0.00 5.59 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.52 0.00 2.11 2.04 0.00 3.13 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 51 R 7.87 4.17 0.00 2.01 1.97 0.00 3.30 0.00 0.00 3.07 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 *64 N 8.06 4.72 0.00 2.74 3.07 0.00 0.00 7.33 7.96 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 65 A 8.16 3.96 0.72 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 66 Y 7.39 4.84 0.00 3.05 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 67 W 8.45 4.63 0.00 3.07 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 68 E 9.08 4.01 0.00 1.16 1.24 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 2.22 2.39 0.00 69 I 8.29 4.29 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 1.27 0.52 0.96 0.00 0.00 70 W 9.42 4.63 0.00 3.65 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 71 G 8.10 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 72 L 8.06 4.66 0.00 1.58 1.56 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.39 0.00 1.62 1.83 0.00 3.81 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 74 L 8.78 4.31 0.00 1.69 1.63 1.00 1.33 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 75 F 8.13 4.50 0.00 3.10 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 76 D 8.05 4.75 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.41 3.87 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 0.86 0.00 0.00 0.96 0.00 0.00 78 T 8.49 4.49 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 1.23 0.00 0.00 79 D 7.88 4.86 0.00 2.72 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 80 P 0.00 4.34 0.00 2.35 2.36 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 81 A 8.30 4.01 1.50 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 0.00 0.00 82 A 7.96 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.78 3.71 2.28 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 1.09 0.00 0.00 0.99 0.00 0.00 84 L 8.37 4.05 0.00 1.96 1.92 1.00 1.10 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 85 F 8.40 4.13 0.00 3.33 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 86 E 8.05 4.02 0.00 2.41 2.36 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 2.63 2.73 0.00 87 I 7.74 3.46 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 1.48 0.89 0.85 0.00 0.00 88 N 8.00 4.20 0.00 2.77 2.70 0.00 0.00 6.93 7.31 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 89 A 7.73 3.73 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 90 C 7.93 2.45 0.00 1.23 2.22 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 91 R 7.45 3.66 0.00 1.88 1.83 0.00 3.16 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 92 K 7.82 3.90 0.00 1.79 1.84 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.53 7.81 93 A 7.41 4.17 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 94 R 7.99 4.29 0.00 1.19 1.05 0.00 2.21 0.00 0.00 2.45 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.50 0.00 95 S 8.30 4.25 0.00 3.86 3.92 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 96 N 7.95 4.75 0.00 2.85 2.87 0.00 0.00 5.79 7.43 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 97 F 7.56 4.66 0.00 2.81 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 98 Y 8.96 4.43 0.00 2.65 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 99 I 8.83 5.60 1.89 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.07 0.91 0.00 0.00 100 K 9.37 5.02 0.00 1.69 1.84 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.25 1.07 7.81 101 V 8.07 4.58 0.67 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 0.82 0.00 0.00 0.67 0.00 0.00 102 V 8.81 4.83 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 1.02 0.00 0.00 0.77 0.00 0.00 103 G 9.21 4.40 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 0.00 104 F 9.59 5.19 0.00 3.13 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 0.00 105 S 7.88 4.89 0.00 3.80 3.52 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 0.00 106 S 8.38 4.83 0.00 3.96 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 0.00 107 V 7.47 3.65 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 0.90 0.00 0.00 0.91 0.00 0.00 107A R 8.92 3.87 0.00 1.81 1.98 0.00 3.29 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 107B G 8.02 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 0.00 108 I 7.33 3.85 1.77 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 1.23 0.44 0.76 0.00 0.00 109 E 7.75 3.88 0.00 2.05 2.06 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 2.32 2.47 0.00 110 S 6.13 4.48 0.00 3.77 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 0.00 111 T 8.49 4.47 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 0.00 112 I 8.30 4.49 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.73 0.88 0.00 0.00 113 I 7.38 4.10 2.04 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.38 1.15 0.00 0.00 114 S 8.12 5.01 0.00 3.86 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 0.00 115 F 8.57 5.36 0.00 3.28 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 0.00 116 I 8.65 4.49 2.06 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.00 1.24 0.00 0.00 117 V 8.78 4.63 2.11 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 0.72 0.00 0.00 0.93 0.00 0.00 118 N 7.65 4.35 0.00 2.68 2.58 0.00 0.00 6.85 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 0.00 119 R 8.46 4.24 0.00 1.64 1.48 0.00 3.46 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 120 P 0.00 4.22 0.00 1.86 1.32 0.00 2.20 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.00 121 K 8.37 4.19 0.00 1.77 1.92 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.40 7.81 122 H 7.70 4.74 0.00 3.07 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.48 4.66 0.00 2.06 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 0.00 2.33 2.38 0.00 124 P 0.00 4.18 0.00 2.09 2.06 0.00 3.60 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 125 G 8.35 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 0.00 126 F 8.52 5.07 0.00 2.83 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 0.00 127 N 8.72 4.90 0.00 1.77 2.66 0.00 0.00 6.50 6.62 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 0.00 128 L 8.48 4.83 0.00 1.70 1.63 0.99 1.04 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 0.00 129 M 9.18 4.38 0.00 2.00 2.01 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 2.68 2.76 0.00 130 R 8.49 4.49 0.00 1.62 1.73 0.00 3.23 0.00 0.00 3.18 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 131 Q 8.44 4.22 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 132 E 8.73 4.15 0.00 1.86 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 2.26 2.26 0.00 133 D 8.57 4.85 0.00 2.54 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 0.00 134 K 8.54 4.21 0.00 1.85 1.70 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.45 7.81 135 S 8.35 3.52 0.00 3.95 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 0.00 136 R 8.78 4.45 0.00 1.79 1.95 0.00 3.37 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 137 S 8.12 4.43 0.00 3.86 3.78 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 0.00 138 I 8.03 4.75 1.30 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.65 0.09 0.00 0.00 139 K 8.68 4.39 0.00 1.59 1.73 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.52 7.81 140 Y 8.57 4.91 0.00 2.82 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 0.00 141 T 8.59 4.75 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 0.00 142 I 8.49 5.02 1.76 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 1.16 0.56 0.54 0.00 0.00 143 H 8.88 4.92 0.00 3.12 2.89 0.00 5.59 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.52 4.17 0.00 3.53 3.47 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 0.00 145 Y 8.14 4.47 0.00 3.13 3.07 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 0.00 0.00 0.00 146 E 7.95 3.87 0.00 1.55 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 1.92 1.47 0.00 147 S 7.64 4.19 0.00 3.53 3.57 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 0.00 148 Y 7.38 4.51 0.00 3.22 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 0.00 149 K 7.32 4.75 0.00 1.77 1.66 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.36 7.81 150 P 0.00 4.45 0.00 2.43 2.20 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 151 E 9.06 3.92 0.00 2.11 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 2.64 2.35 0.00 152 D 8.13 4.73 0.00 2.83 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 0.00 153 E 8.03 4.63 0.00 2.05 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 2.22 2.24 0.00 154 R 7.64 4.10 0.00 1.67 1.58 0.00 3.41 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 155 Y 9.32 3.89 0.00 2.75 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 * Residues marked with a * may have inaccurate shift predictions.