NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2114 8.3149 120.1416 57.4827 32.8988 172.4238 7 L 3.7797 8.7759 130.9138 54.3178 41.5378 172.4537 8 P 4.6295 0.0000 0.0000 61.5317 33.1441 173.1548 9 P 4.2823 0.0000 0.0000 64.4908 31.6398 177.1591 10 G 3.4897 8.8509 109.8374 45.3622 0.0000 172.2383 11 W 5.2782 7.7885 120.1832 55.3956 30.0374 175.2982 12 E 4.8619 9.6908 125.7112 54.2664 33.3139 173.6728 13 K 4.6484 9.3897 122.0539 52.8617 35.6479 174.7384 14 A 4.2429 6.8792 119.3573 53.0746 23.3201 174.5750 15 M 6.2300 7.9637 113.6172 54.5674 35.9845 175.4544 16 S 4.4092 9.1289 118.3857 57.9548 63.6380 173.5246 17 R 3.8391 9.0541 123.0748 56.7159 31.3465 177.4170 18 S 3.6674 7.7614 114.2340 58.7842 59.8987 173.6919 19 S 5.1080 7.1510 121.5195 58.0958 65.7505 178.3053 20 G 3.8478 8.7052 115.7496 44.8938 0.0000 170.6952 21 R 4.7892 8.3241 123.9174 54.2305 33.4941 174.8571 22 V 4.6589 8.9138 125.5207 62.6902 32.0307 174.0745 23 Y 5.2465 8.7588 126.8169 56.1434 42.1862 172.6630 24 Y 4.6745 9.3712 116.7247 56.5762 40.5845 175.4114 25 F 5.6078 9.4229 126.7273 56.6233 43.3453 173.9354 26 N 5.3882 6.3382 118.3588 50.9291 40.9238 174.2676 27 H 4.3473 8.5674 121.8342 57.1754 28.5269 176.1850 28 I 4.0473 7.9004 120.5616 62.7623 38.1562 176.7061 29 T 4.0263 7.6102 109.2357 62.2281 69.9217 175.7951 30 N 4.3007 8.3609 117.9873 53.1726 36.5406 173.0404 31 A 4.7859 7.4700 120.1852 51.2343 20.3975 177.5489 32 S 5.5115 8.5848 117.4822 57.0449 66.3775 173.3710 33 Q 4.4226 9.0124 120.1506 55.6061 31.7006 175.5534 34 W 4.4404 8.8141 120.2892 59.8168 29.6377 177.3160 35 E 3.9857 8.2577 116.0588 56.5656 29.4769 176.7153 36 R 2.8599 7.8529 121.3428 54.3650 31.0418 174.4312 37 P 3.9185 0.0000 0.0000 65.0342 31.0582 176.3536 38 S 4.6686 7.4599 111.4081 55.4872 65.5329 171.7639 39 G 3.5238 7.9808 107.3772 46.4131 0.0000 173.9850 *45 G 3.5941 7.8840 118.4933 44.3863 0.0000 171.2814 46 K 4.3909 8.3069 125.8348 54.2781 34.3313 175.0281 47 N 4.9933 8.7460 122.7817 51.7400 40.0949 174.8462 48 G 3.9309 8.8068 106.5160 45.0851 0.0000 174.1993 49 Q 3.5766 7.5885 116.4798 56.4325 30.1709 179.3856 50 G 4.1109 9.9648 106.3534 44.0291 0.0000 176.1329 51 E 4.7388 8.4618 117.0974 53.7817 31.9114 172.7800 52 P 4.4729 0.0000 0.0000 62.9888 32.5353 175.9530 53 A 4.6456 9.3188 120.4730 49.7226 18.8024 176.6082 54 R 5.2020 7.1648 127.9807 56.5044 32.7260 173.2076 55 V 4.3954 7.5594 118.2215 59.5574 36.7827 173.9912 56 R 4.7021 8.2836 122.2560 55.0871 32.4094 174.6293 57 C 5.1691 8.1017 123.5139 58.6022 32.5869 172.4492 58 S 5.0747 8.4717 111.3569 59.2825 66.6224 174.4460 59 H 6.3000 9.3628 117.4484 55.3825 30.9347 173.1361 60 L 4.4474 8.7524 121.1961 53.1452 44.0235 173.9780 61 L 4.6385 8.3999 128.8344 53.9402 43.8130 175.2214 62 V 4.7853 8.5869 127.0835 61.1917 33.2665 175.1427 63 K 4.6550 8.5461 128.0942 56.2220 33.3618 176.4036 64 H 5.1796 8.4067 117.4935 54.2887 31.5211 173.0677 65 S 4.2762 8.5202 112.3075 62.3221 62.9636 175.8599 66 Q 4.4800 7.9607 117.1614 55.8259 28.2226 176.1737 67 S 4.4482 7.7897 114.2929 57.7994 63.0154 174.0289 68 R 3.7768 8.1948 119.4967 59.0861 29.2625 177.6127 69 R 4.4337 7.4305 123.3110 52.5295 29.4261 176.4311 70 P 4.7740 0.0000 0.0000 60.7604 30.5498 177.0220 71 S 4.8274 10.1073 111.6969 58.2038 66.0362 172.8119 72 S 4.7435 8.5018 120.8049 56.1910 65.8184 174.9944 73 W 4.4889 8.9770 118.6343 58.9828 27.7807 177.0519 74 R 3.6988 7.0395 117.4986 57.1615 30.2848 176.9096 75 Q 4.3241 7.3919 115.9248 54.3154 30.8106 174.7733 76 E 3.7770 8.9783 124.6873 58.5306 29.6678 176.5710 77 K 4.4375 7.5955 118.2962 54.4715 33.7445 175.3186 78 I 4.4683 8.9594 128.8265 61.3399 37.1964 176.4782 79 T 4.4720 8.3395 114.4890 61.3038 70.6005 174.8939 80 R 4.3560 7.7593 119.5190 56.2074 30.5511 175.4318 81 T 4.7896 8.2562 109.8699 60.2839 72.1322 175.7949 82 K 4.3328 8.2411 121.5415 59.8924 32.1593 178.4251 83 E 4.0235 8.3288 118.0272 59.8292 29.4567 179.5588 84 E 4.6959 8.0875 118.9518 59.2581 29.7763 179.3296 85 A 4.0406 8.8085 121.6552 54.8465 18.3311 179.4735 86 L 4.0012 8.7290 120.3607 58.1174 42.1953 178.8169 87 E 3.9983 8.3720 117.5278 58.9693 29.4066 179.0642 88 L 3.5981 7.6663 121.6697 58.0316 42.1602 178.7952 89 I 3.8242 7.4977 119.3179 64.3204 36.9846 177.9163 90 N 4.3625 8.2053 117.4669 56.4552 38.4683 177.2383 91 G 3.6495 7.5618 106.6379 48.4270 0.0000 175.1581 92 Y 4.3968 7.4074 118.7845 60.7261 37.8309 178.7274 93 I 3.7753 8.2079 121.3655 64.2017 37.1765 177.9866 94 Q 3.9994 8.6145 120.7645 59.4962 28.8185 178.9584 95 K 4.0989 8.2612 119.2251 59.2424 31.8143 179.4314 96 I 3.9265 7.9119 119.6883 64.6461 37.2161 178.3731 97 K 4.2201 8.0366 118.0160 59.3025 31.9157 179.4147 98 S 4.3500 7.9582 114.1869 61.7277 63.1625 175.2429 99 G 4.1534 8.2528 107.5065 44.8552 0.0000 174.2826 100 E 4.1423 8.3093 120.0362 59.0479 29.6377 177.0405 101 E 4.8107 7.8150 114.8398 53.8679 34.0102 174.3542 102 D 5.0594 8.2262 120.0199 52.1532 42.9099 176.8360 103 F 3.5389 8.6257 122.2040 61.8357 39.7586 177.2287 104 E 4.2319 8.6434 118.3089 59.2783 28.8967 179.2124 105 S 4.0906 8.3548 111.9103 61.8076 62.2636 176.6789 106 L 3.8130 7.7482 121.0289 57.5458 41.5489 178.8079 107 A 3.7661 7.8028 120.8906 55.5118 17.7986 179.6437 108 S 4.1790 8.4639 113.5681 61.9752 62.7473 176.7738 109 Q 4.1068 7.0924 117.3158 56.9794 28.7043 176.6097 110 F 4.8521 7.9361 114.9656 56.4417 41.4587 174.3707 111 S 4.2375 8.2070 116.0000 58.7059 61.8233 175.1803 112 D 4.7026 9.1186 129.1072 54.5204 40.0427 176.0512 113 C 4.9988 8.9550 119.4082 57.1783 34.0904 174.7309 114 S 4.0978 8.8026 119.7264 61.0969 62.2225 175.8425 115 S 4.1133 8.0731 113.0275 59.3035 63.5382 175.6516 116 A 3.9352 8.1736 125.9759 55.4752 18.1055 180.5784 117 K 4.1796 7.0281 109.9280 57.0831 31.9490 177.6421 118 A 4.4674 8.5051 122.7217 51.9894 19.1419 178.7009 119 R 3.8194 8.9087 116.2499 57.4088 28.5919 178.0649 120 G 4.2393 8.0758 106.7563 44.9726 0.0000 173.4531 121 D 5.5135 8.0110 118.6741 54.0249 41.6321 175.8639 122 L 4.6680 7.9515 121.5446 53.0024 43.9663 175.7700 123 G 3.9931 8.7721 111.8111 44.0003 0.0000 173.6275 124 A 4.3629 8.4085 121.6584 52.3135 19.1484 176.8297 125 F 5.0884 8.7356 115.2888 55.6525 42.3543 173.7037 126 S 5.1353 8.7385 114.9476 55.9545 65.5540 174.3895 127 R 4.4545 7.4643 120.6853 54.7640 28.6097 176.2873 128 G 4.2325 7.5330 104.8139 46.5932 0.0000 173.5159 129 Q 4.0958 8.2515 120.0376 57.6761 29.3547 175.3737 130 M 4.4964 7.6478 115.7783 52.8762 34.8570 175.3639 131 Q 4.0588 8.5845 119.6461 56.9311 29.4918 178.1610 132 K 4.4209 8.5435 124.6331 58.8535 33.1868 175.8810 133 P 4.3349 0.0000 0.0000 65.5688 31.2103 178.3540 134 F 4.0951 8.8782 119.7337 61.1473 39.3908 176.5025 135 E 4.4287 8.6598 118.5076 60.1364 27.8041 178.6162 136 D 4.5698 8.9588 118.4491 57.3002 40.6329 178.5158 137 A 4.1823 7.3870 118.8952 54.2536 18.5053 179.4714 138 S 4.0867 8.0567 114.2776 61.3204 62.8220 175.7795 139 F 4.3546 8.1435 116.9137 57.6625 38.8903 175.8612 140 A 4.6090 7.2977 120.1274 51.7474 20.2558 176.9399 141 L 4.5020 7.2114 115.6779 53.3772 43.1393 176.6602 142 R 4.4068 9.0466 121.5605 54.6328 31.6237 175.9837 143 T 3.8704 8.3343 116.6524 66.7590 68.5927 172.6891 144 G 4.2063 8.6172 116.8274 45.9758 0.0000 174.0534 145 E 4.1825 8.5355 119.4043 56.4731 30.6116 176.3508 146 M 4.8823 8.5938 122.2856 53.9597 35.3946 173.9201 147 S 4.6817 8.3304 115.5654 56.0862 65.9325 174.6600 148 G 4.6097 7.9353 112.8159 44.5559 0.0000 171.7949 149 P 4.6690 0.0000 0.0000 62.2001 32.5965 176.1684 150 V 4.4017 8.1985 123.1935 61.1254 34.3920 174.0385 151 F 5.2872 9.1720 126.9804 56.6164 40.5005 175.2653 152 T 4.8329 8.7784 112.4320 59.7180 72.1328 174.4008 153 D 4.6858 9.0730 120.7382 56.4297 40.9971 179.3820 154 S 4.1621 8.0900 115.6819 59.5310 63.9591 174.4793 155 G 3.9738 7.0803 108.2478 46.3055 0.0000 171.2330 156 I 4.5713 7.5212 122.3786 60.1371 39.5154 175.3688 157 H 5.2832 9.2279 123.6502 54.3972 32.6409 173.9590 158 I 4.6122 8.1190 116.8332 60.3653 40.3143 174.1149 159 I 4.7019 8.3581 128.4151 59.9532 38.6151 174.7615 160 L 4.5784 9.2181 129.5724 52.9205 44.4666 175.1991 161 R 4.4298 8.3076 128.7472 56.4668 30.4509 176.5988 162 T 4.4438 8.7082 116.5741 62.0829 71.0919 174.5533 163 E 4.1904 7.6907 126.6707 56.8718 30.5544 174.6693 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 6 K 8.31 4.21 0.00 1.80 1.71 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.50 7.81 7 L 8.78 3.78 0.00 2.05 1.98 1.10 0.87 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 8 P 0.00 4.63 0.00 2.57 2.16 0.00 3.68 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 2.17 2.16 0.00 9 P 0.00 4.28 0.00 2.04 2.00 0.00 3.84 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 2.06 2.12 0.00 10 G 8.85 3.49 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 0.00 0.00 0.00 11 W 7.79 5.28 0.00 3.36 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 12 E 9.69 4.86 0.00 2.08 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 2.18 2.23 0.00 13 K 9.39 4.65 0.00 1.16 1.40 0.00 1.63 0.00 0.00 0.61 0.00 0.00 2.21 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.99 0.85 7.81 14 A 6.88 4.24 1.14 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 0.00 0.00 15 M 7.96 6.23 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.66 0.00 16 S 9.13 4.41 0.00 3.68 3.70 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 17 R 9.05 3.84 0.00 1.80 1.88 0.00 3.15 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 1.72 1.68 0.00 18 S 7.76 3.67 0.00 3.95 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 0.00 19 S 7.15 5.11 0.00 3.99 3.91 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 20 G 8.71 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 21 R 8.32 4.79 0.00 2.06 2.66 0.00 3.40 0.00 0.00 3.36 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.87 0.00 22 V 8.91 4.66 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 0.85 0.00 0.00 1.04 0.00 0.00 23 Y 8.76 5.25 0.00 3.09 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 24 Y 9.37 4.67 0.00 2.99 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 25 F 9.42 5.61 0.00 3.07 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 26 N 6.34 5.39 0.00 1.44 1.48 0.00 0.00 6.88 7.77 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 27 H 8.57 4.35 0.00 3.27 3.57 0.00 5.57 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.90 4.05 1.72 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.69 0.87 0.00 0.00 29 T 7.61 4.03 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 0.93 0.00 0.00 30 N 8.36 4.30 0.00 2.94 3.20 0.00 0.00 6.89 8.50 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 31 A 7.47 4.79 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 32 S 8.58 5.51 0.00 3.74 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.01 4.42 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 34 W 8.81 4.44 0.00 3.38 3.35 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 35 E 8.26 3.99 0.00 1.86 1.81 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 2.33 2.41 0.00 36 R 7.85 2.86 0.00 1.36 1.49 0.00 3.18 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.74 0.00 37 P 0.00 3.92 0.00 1.36 0.49 0.00 2.55 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.62 0.00 38 S 7.46 4.67 0.00 3.90 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 39 G 7.98 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 0.00 0.00 0.00 *45 G 7.88 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 46 K 8.31 4.39 0.00 1.66 1.66 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.40 7.81 47 N 8.75 4.99 0.00 2.83 2.76 0.00 0.00 6.43 7.00 0.00 0.00 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 G 8.81 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 0.00 0.00 0.00 49 Q 7.59 3.58 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 50 G 9.96 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 51 E 8.46 4.74 0.00 2.20 1.96 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 2.19 2.29 0.00 52 P 0.00 4.47 0.00 2.24 2.13 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.96 0.00 53 A 9.32 4.65 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 54 R 7.16 5.20 0.00 1.94 1.98 0.00 3.21 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.40 0.00 55 V 7.56 4.40 1.78 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 0.29 0.00 0.00 -0.57 0.00 0.00 56 R 8.28 4.70 0.00 1.80 1.67 0.00 3.02 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 57 C 8.10 5.17 0.00 3.34 2.98 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 0.00 0.00 0.00 58 S 8.47 5.07 0.00 3.67 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 59 H 9.36 6.30 0.00 3.57 3.64 0.00 5.49 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.75 4.45 0.00 1.15 1.33 0.36 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.40 4.64 0.00 1.71 1.47 0.82 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.59 4.79 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 0.95 0.00 0.00 1.09 0.00 0.00 63 K 8.55 4.65 0.00 1.60 1.68 0.00 1.77 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.35 7.81 64 H 8.41 5.18 0.00 3.28 3.33 0.00 5.75 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 65 S 8.52 4.28 0.00 4.08 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 66 Q 7.96 4.48 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.04 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 67 S 7.79 4.45 0.00 3.92 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 68 R 8.19 3.78 0.00 1.88 2.11 0.00 3.04 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.62 0.00 69 R 7.43 4.43 0.00 1.86 1.86 0.00 3.20 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 70 P 0.00 4.77 0.00 2.26 2.44 0.00 3.79 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 71 S 10.11 4.83 0.00 3.81 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 72 S 8.50 4.74 0.00 4.02 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 73 W 8.98 4.49 0.00 3.56 3.29 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 74 R 7.04 3.70 0.00 1.26 1.49 0.00 2.50 0.00 0.00 2.84 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.39 4.32 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.81 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 76 E 8.98 3.78 0.00 1.94 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 0.00 2.30 2.33 0.00 77 K 7.60 4.44 0.00 1.66 1.64 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.51 7.81 78 I 8.96 4.47 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.75 0.98 0.00 0.00 79 T 8.34 4.47 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 1.24 0.00 0.00 80 R 7.76 4.36 0.00 2.01 2.08 0.00 3.12 0.00 0.00 3.46 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 81 T 8.26 4.79 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 1.21 0.00 0.00 82 K 8.24 4.33 0.00 1.80 1.94 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.24 7.81 83 E 8.33 4.02 0.00 2.05 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 2.40 2.50 0.00 84 E 8.09 4.70 0.00 2.18 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 2.31 2.18 0.00 85 A 8.81 4.04 1.40 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 86 L 8.73 4.00 0.00 1.88 1.91 1.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.37 4.00 0.00 2.18 2.29 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 2.52 2.23 0.00 88 L 7.67 3.60 0.00 1.85 1.57 0.85 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.50 3.82 1.85 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 1.50 0.44 0.93 0.00 0.00 90 N 8.21 4.36 0.00 2.88 2.86 0.00 0.00 6.89 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 91 G 7.56 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 92 Y 7.41 4.40 0.00 3.18 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.21 3.78 2.07 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 1.66 1.23 0.97 0.00 0.00 94 Q 8.61 4.00 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 95 K 8.26 4.10 0.00 1.96 1.93 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.52 7.81 96 I 7.91 3.93 2.11 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 1.90 0.85 1.06 0.00 0.00 97 K 8.04 4.22 0.00 1.80 1.94 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.64 7.81 98 S 7.96 4.35 0.00 4.08 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 99 G 8.25 4.15 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 0.00 0.00 0.00 100 E 8.31 4.14 0.00 2.03 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 2.38 2.33 0.00 101 E 7.82 4.81 0.00 1.96 1.84 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 2.27 2.33 0.00 102 D 8.23 5.06 0.00 2.92 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 0.00 103 F 8.63 3.54 0.00 3.17 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 0.00 104 E 8.64 4.23 0.00 2.36 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 2.47 2.47 0.00 105 S 8.35 4.09 0.00 3.96 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 0.00 106 L 7.75 3.81 0.00 1.64 1.37 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.80 3.77 1.16 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 0.00 108 S 8.46 4.18 0.00 3.89 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 0.00 109 Q 7.09 4.11 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 110 F 7.94 4.85 0.00 2.64 2.82 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 0.00 111 S 8.21 4.24 0.00 3.84 3.94 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 0.00 112 D 9.12 4.70 0.00 2.83 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 0.00 113 C 8.96 5.00 0.00 2.91 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 0.00 114 S 8.80 4.10 0.00 3.90 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 0.00 115 S 8.07 4.11 0.00 4.26 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 0.00 116 A 8.17 3.94 1.41 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 0.00 117 K 7.03 4.18 0.00 1.55 1.60 0.00 1.49 0.00 0.00 1.51 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.23 7.81 118 A 8.51 4.47 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 0.00 0.00 0.00 0.00 0.00 119 R 8.91 3.82 0.00 2.06 2.08 0.00 3.53 0.00 0.00 3.31 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 0.00 120 G 8.08 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 0.00 0.00 0.00 0.00 121 D 8.01 5.51 0.00 2.65 2.67 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 0.00 122 L 7.95 4.67 0.00 1.74 1.61 0.61 0.94 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 0.00 123 G 8.77 3.99 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 0.00 0.00 0.00 124 A 8.41 4.36 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 0.00 125 F 8.74 5.09 0.00 3.13 3.21 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 0.00 126 S 8.74 5.14 0.00 3.89 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 0.00 127 R 7.46 4.45 0.00 1.48 1.73 0.00 2.87 0.00 0.00 3.57 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.00 128 G 7.53 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 0.00 0.00 0.00 0.00 129 Q 8.25 4.10 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 130 M 7.65 4.50 0.00 1.78 2.02 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.75 0.00 131 Q 8.58 4.06 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.60 0.00 0.00 0.00 0.00 0.00 2.43 2.28 0.00 132 K 8.54 4.42 0.00 1.91 1.81 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 3.55 0.00 0.00 0.00 0.00 1.53 1.93 7.81 133 P 0.00 4.33 0.00 2.32 2.23 0.00 3.74 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 2.19 2.21 0.00 134 F 8.88 4.10 0.00 2.93 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 0.00 135 E 8.66 4.43 0.00 2.37 2.30 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 2.59 2.87 0.00 136 D 8.96 4.57 0.00 2.80 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 0.00 137 A 7.39 4.18 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 0.00 138 S 8.06 4.09 0.00 3.93 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 0.00 139 F 8.14 4.35 0.00 3.03 3.21 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 0.00 140 A 7.30 4.61 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 0.00 141 L 7.21 4.50 0.00 1.69 1.52 0.85 0.81 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 0.00 142 R 9.05 4.41 0.00 2.08 1.83 0.00 3.17 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 143 T 8.33 3.87 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 1.20 0.00 0.00 144 G 8.62 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 0.00 0.00 0.00 145 E 8.54 4.18 0.00 2.01 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 2.37 2.37 0.00 146 M 8.59 4.88 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 147 S 8.33 4.68 0.00 4.00 3.71 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 0.00 148 G 7.94 4.61 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 0.00 149 P 0.00 4.67 0.00 1.95 1.81 0.00 3.70 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 2.07 2.08 0.00 150 V 8.20 4.40 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 1.01 0.00 0.00 0.86 0.00 0.00 151 F 9.17 5.29 0.00 2.99 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 0.00 152 T 8.78 4.83 4.57 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 1.21 0.00 0.00 153 D 9.07 4.69 0.00 2.87 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 0.00 154 S 8.09 4.16 0.00 3.98 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 0.00 155 G 7.08 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 0.00 156 I 7.52 4.57 1.78 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 1.02 0.67 0.44 0.00 0.00 157 H 9.23 5.28 0.00 3.20 3.43 0.00 5.77 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.12 4.61 2.00 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 1.31 0.59 1.23 0.00 0.00 159 I 8.36 4.70 1.59 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.73 0.60 0.00 0.00 160 L 9.22 4.58 0.00 0.56 0.66 0.74 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.31 4.43 0.00 1.75 1.81 0.00 3.18 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.00 162 T 8.71 4.44 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 1.12 0.00 0.00 163 E 7.69 4.19 0.00 1.94 1.73 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 2.26 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.