NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 4.0126 8.3549 109.7402 43.9557 0.0000 175.4426 0 H 4.3220 7.9796 120.0226 53.9180 26.8858 173.9237 2 D 4.1648 7.9879 123.0675 55.1737 43.0466 179.1783 3 D 4.2901 8.1345 121.8166 57.4089 40.8996 177.6064 4 V 3.6117 7.8424 118.3786 64.7020 31.1752 177.4158 5 L 4.3905 7.8554 117.0902 55.5166 41.9777 177.8415 6 R 4.6715 8.0492 117.5773 55.5678 31.8399 176.1836 7 R 4.6251 7.7977 120.1036 53.8602 29.3715 175.2725 8 N 4.6490 7.1951 113.8666 51.6264 39.8669 174.3593 9 P 4.4995 0.0000 0.0000 64.2424 31.8276 177.3451 10 L 4.1319 8.0222 119.7302 56.8548 42.7800 177.0318 11 F 5.1319 8.4543 114.8276 57.1314 39.3623 177.3992 12 A 4.3832 7.9871 123.6831 54.3241 18.1416 178.8432 13 A 4.5123 7.8702 115.4089 52.0408 19.5800 177.3154 14 L 4.3026 7.6590 116.9555 54.5634 42.2661 177.6640 15 D 4.7367 9.1088 123.5959 52.7941 41.3442 177.2913 16 D 4.3374 8.5263 118.5523 57.4155 40.6721 178.6914 17 E 3.9653 8.1721 119.3592 59.4409 29.7440 178.7238 18 Q 4.5741 9.2167 119.9538 58.7006 28.7810 178.9332 19 S 4.0191 8.4527 116.1649 61.4004 62.7421 176.5872 20 A 4.0329 8.0419 123.5156 55.0945 17.9280 179.5787 21 E 3.6556 8.0788 117.0584 59.2505 29.3290 178.9270 22 L 2.6048 6.9954 119.0691 57.9082 41.9941 178.7499 23 R 3.8089 7.4461 116.4133 59.4297 30.1141 178.1055 24 A 4.0715 7.7371 119.2494 54.7353 18.3752 178.7850 25 S 4.1565 7.2519 113.2413 58.2063 64.1912 174.2246 *27 S 4.2874 7.5833 115.0620 58.1792 64.6032 172.4529 28 E 4.7285 8.6917 121.5401 56.2351 30.3402 176.1847 29 V 4.5542 8.9262 123.5201 61.3113 35.0813 174.0310 30 T 5.0630 8.5366 120.8249 60.3148 70.2122 172.5484 31 L 4.9764 9.0875 128.1665 52.8549 44.8603 176.0408 32 A 4.5811 8.9809 124.6291 50.7530 20.3872 176.9979 33 R 3.9525 8.4453 119.4952 58.1857 30.3415 177.3332 34 G 3.9747 9.0588 113.5489 45.3615 0.0000 173.4902 35 D 4.6140 8.0618 120.7047 54.5644 42.1235 175.2832 36 T 4.6507 8.1390 112.2374 60.2687 69.8966 174.2705 37 L 4.0685 8.6663 129.7217 57.6338 42.5196 176.5635 38 F 4.9850 7.0044 111.3328 56.2989 41.4995 172.3643 39 H 5.1267 9.7781 117.2556 53.5884 30.4286 174.5961 40 E 4.2838 8.8415 124.6639 58.2417 29.7972 176.8683 41 G 4.0890 9.2701 114.7223 45.3157 0.0000 173.6904 42 D 4.5482 7.9860 119.4703 53.9212 41.9996 174.6722 43 P 4.4977 0.0000 0.0000 63.1141 32.3062 175.9571 44 G 4.0977 8.7129 110.1995 44.0748 0.0000 173.1239 45 D 5.0343 8.3032 122.5950 53.1910 41.2629 174.4809 46 R 4.9125 7.9237 116.3494 54.9351 33.7851 174.4073 47 L 4.9365 8.4683 124.4406 53.9672 44.5297 174.7525 48 Y 5.2903 9.2377 121.7408 56.1801 42.4731 174.5539 49 V 4.8751 8.6769 122.0010 60.9430 34.3293 174.9129 50 V 4.1856 8.7875 129.3035 63.3958 31.8658 176.2864 51 T 4.0719 8.7918 118.0362 62.2799 70.5971 174.2456 52 E 4.5780 8.2251 118.2499 56.6294 32.6840 176.2025 53 G 4.2994 8.9496 107.9551 45.8214 0.0000 171.6734 54 K 4.8592 8.4547 116.4975 54.4308 36.0260 175.9382 55 V 4.6014 8.6820 124.6260 60.9053 33.9475 174.1397 56 K 4.6906 8.8180 130.2262 55.7480 33.5010 175.2014 57 L 5.1016 8.9546 128.4585 53.8936 43.5499 175.4137 58 H 5.2761 9.1068 118.1885 54.3295 32.7069 172.1486 59 R 5.0969 8.7890 118.8345 54.8539 33.8843 174.1127 60 T 4.7728 8.6996 122.5603 63.1682 69.1311 175.2522 61 S 4.3279 9.9037 124.0829 57.6415 63.4663 173.7462 62 P 4.4217 0.0000 0.0000 64.8512 31.2418 176.6688 63 D 4.7587 8.2609 115.5739 52.7670 39.8585 176.9662 64 G 3.9546 8.7648 109.7974 45.2939 0.0000 174.2021 65 R 4.3205 7.6213 116.0470 55.1095 31.0260 174.8805 66 E 4.8670 8.4074 118.1350 55.2116 31.3612 175.6077 67 N 4.7152 8.9929 129.3015 53.5394 38.3894 176.2377 *69 L 4.3827 8.5646 114.8089 54.8191 44.1565 176.9299 70 A 4.5516 7.6363 117.3569 51.0956 23.3534 175.3752 71 V 4.6770 8.3934 119.0377 61.1749 33.8884 174.7993 72 V 4.2732 9.0965 128.9627 61.3907 33.6774 174.9733 73 G 4.4255 8.2701 117.7671 42.8483 0.0000 169.6329 74 P 4.5476 0.0000 0.0000 64.4503 31.5275 176.8655 75 S 4.2673 9.6037 117.5535 58.1685 62.5611 168.7133 76 E 4.7469 7.9153 120.6382 55.1980 31.8038 174.9910 77 L 5.2818 8.4019 121.4417 53.7318 43.9730 176.0530 78 I 4.5131 8.4563 122.1517 60.0292 41.2132 176.1801 79 G 4.0519 8.9570 114.3371 46.7474 0.0000 175.2973 80 E 3.8643 8.5792 120.6139 59.4894 29.5130 178.0968 81 L 4.3538 7.9098 117.4039 56.7969 41.6741 179.1437 82 S 4.5206 7.9529 114.1784 60.8251 62.6913 176.0376 83 L 3.7383 7.5274 124.6032 57.6430 41.4209 178.3467 84 F 4.8593 7.6347 115.2178 58.4233 40.3548 175.4485 85 D 4.7679 8.3386 119.1914 50.6666 40.7777 172.2035 86 P 4.3815 0.0000 0.0000 63.0055 32.6446 175.7235 87 G 4.0854 8.4335 109.2081 44.8319 0.0000 170.6624 88 P 4.8975 0.0000 0.0000 62.4455 32.1568 176.7275 89 R 4.0180 9.1790 122.3226 56.9923 30.7077 177.5273 90 T 4.3856 8.6767 111.6895 61.9542 69.8498 173.8886 91 A 4.9361 7.5758 122.3230 50.9205 22.9185 175.1689 92 T 4.5532 9.2102 116.4149 62.2486 70.7856 174.3497 93 G 3.9018 7.9959 113.1078 44.5457 0.0000 172.1985 94 T 5.0711 8.6126 122.3255 61.2130 71.9476 173.4670 95 A 4.3732 8.9950 129.4126 52.3027 18.8136 177.9379 96 L 4.4132 8.9250 123.4147 56.2782 42.7655 176.2504 97 T 4.6250 7.3647 106.7611 59.9174 72.2720 172.6348 98 E 4.1609 8.8244 121.9778 57.0287 30.6497 176.1577 99 V 4.8567 8.9272 126.4013 61.0275 35.1916 174.1774 100 K 5.1885 8.8914 125.4844 54.7639 35.7139 175.1796 101 L 5.3140 9.0510 122.3574 53.2278 46.8614 175.0017 102 L 5.2153 8.8740 120.3672 53.0222 44.2923 175.4436 103 A 4.9660 8.9966 125.5256 49.8679 21.6700 175.2682 104 L 4.5280 8.6561 123.4792 53.1488 44.9753 175.8200 105 G 4.1047 8.9605 113.5333 45.1964 0.0000 173.8911 106 H 4.3465 8.8896 123.5884 58.6826 29.5682 177.8769 107 G 3.7298 8.1049 105.0670 47.2453 0.0000 174.1729 108 D 4.6850 8.1227 119.7182 54.7473 41.1086 178.3233 109 L 4.1964 7.8382 122.3610 58.2012 42.1541 178.1978 110 Q 3.9770 8.0916 119.0072 59.0321 29.0783 176.5840 111 P 4.2836 0.0000 0.0000 65.1279 31.3764 178.4759 112 W 4.3601 7.9861 125.9274 60.6933 30.4160 178.0504 113 L 3.8233 8.3351 119.3154 57.9121 40.7577 179.3672 114 N 4.3630 8.3339 116.0243 56.2287 38.5140 177.2849 115 V 4.0207 7.7020 118.7193 64.5138 32.9908 176.2374 116 R 4.6030 7.9616 118.6704 52.9577 30.4973 173.0896 117 P 4.4767 0.0000 0.0000 64.1818 31.6134 177.5053 118 E 3.9625 8.1303 117.0301 58.9222 29.2984 179.1714 119 V 3.4044 7.7122 118.6115 65.5172 31.3205 177.8137 120 A 3.8268 7.5194 120.7454 55.4479 18.1598 179.6870 121 T 3.7296 7.7936 113.4580 66.7390 68.5828 176.6004 122 A 3.9593 7.9200 122.6212 55.0945 18.4241 179.7400 123 L 3.9366 8.4449 117.8498 57.8297 41.6133 179.6543 124 L 3.8035 8.1115 119.3491 57.5925 41.4919 179.3108 125 R 3.7993 8.1807 118.6420 59.4729 29.8604 178.2487 126 A 3.9328 7.9037 120.1434 55.2705 18.4277 179.7863 127 V 3.4354 7.6924 116.4064 66.0557 31.5177 178.0123 128 A 3.9508 8.1347 120.7226 54.9613 18.1063 179.5159 129 R 3.7873 8.0898 117.2272 59.7818 30.1290 179.0308 130 R 3.8921 7.6738 117.8706 59.2090 30.0900 178.8551 131 L 3.9109 7.9444 120.1491 57.8673 41.9186 179.0649 132 R 3.8359 8.1756 118.8853 59.3054 29.6445 178.5457 133 K 3.9182 8.1292 118.2112 59.8818 31.8750 179.0116 134 T 3.7615 7.8048 114.5408 67.2414 68.5214 175.9625 135 N 4.5102 8.1126 116.7119 55.9078 38.7288 176.3277 136 D 4.6740 8.5407 118.3586 55.6309 42.3106 179.8582 137 A 4.0488 7.3083 123.9138 51.7701 18.2929 178.4399 *141 L 4.4582 8.0201 123.5123 54.9049 45.1304 179.0757 142 V 3.0055 8.1920 115.1578 61.1473 32.5143 174.4780 143 F 3.7121 8.3403 110.0018 58.6805 36.1319 177.0298 144 S 4.6283 7.6109 117.7402 57.4948 61.6594 174.5079 145 D 4.7923 8.0304 115.4500 52.4740 41.0217 175.8100 146 G 4.1576 9.0183 108.3331 46.1596 0.0000 173.9077 147 S 4.2796 7.6152 117.1023 58.3716 62.6406 174.1593 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 G 8.35 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 0 H 7.98 4.32 0.00 3.28 3.29 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 D 7.99 4.16 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.13 4.29 0.00 2.52 2.58 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 4 V 7.84 3.61 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 0.86 0.00 0.00 0.95 0.00 0.00 5 L 7.86 4.39 0.00 1.71 1.68 0.76 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.05 4.67 0.00 1.96 1.98 0.00 3.17 0.00 0.00 3.27 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 7 R 7.80 4.63 0.00 1.84 1.94 0.00 3.43 0.00 0.00 3.30 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.58 0.00 8 N 7.20 4.65 0.00 2.90 2.91 0.00 0.00 6.12 7.76 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 9 P 0.00 4.50 0.00 2.05 2.14 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 10 L 8.02 4.13 0.00 1.52 1.20 0.94 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.45 5.13 0.00 3.36 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 12 A 7.99 4.38 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 13 A 7.87 4.51 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.66 4.30 0.00 1.87 1.73 1.11 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 15 D 9.11 4.74 0.00 2.97 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 16 D 8.53 4.34 0.00 2.72 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 17 E 8.17 3.97 0.00 2.05 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 2.44 2.45 0.00 18 Q 9.22 4.57 0.00 2.26 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 19 S 8.45 4.02 0.00 4.00 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 20 A 8.04 4.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.08 3.66 0.00 2.14 1.72 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 2.37 2.56 0.00 22 L 7.00 2.60 0.00 0.89 1.47 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.45 3.81 0.00 1.75 1.96 0.00 3.26 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 24 A 7.74 4.07 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 25 S 7.25 4.16 0.00 3.58 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 S 7.58 4.29 0.00 3.92 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 28 E 8.69 4.73 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 29 V 8.93 4.55 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 1.08 0.00 0.00 1.10 0.00 0.00 30 T 8.54 5.06 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 1.21 0.00 0.00 31 L 9.09 4.98 0.00 1.50 1.46 0.77 0.63 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 32 A 8.98 4.58 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 33 R 8.45 3.95 0.00 1.76 1.85 0.00 3.26 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 34 G 9.06 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 35 D 8.06 4.61 0.00 2.83 2.54 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 36 T 8.14 4.65 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 1.15 0.00 0.00 37 L 8.67 4.07 0.00 1.21 1.10 0.42 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 7.00 4.98 0.00 3.04 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 H 9.78 5.13 0.00 3.64 3.30 0.00 5.83 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.84 4.28 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 41 G 9.27 4.09 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 0.00 0.00 0.00 42 D 7.99 4.55 0.00 2.81 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 43 P 0.00 4.50 0.00 1.92 1.98 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 44 G 8.71 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 0.00 0.00 0.00 45 D 8.30 5.03 0.00 2.64 2.76 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 46 R 7.92 4.91 0.00 1.39 1.16 0.00 3.19 0.00 0.00 2.91 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.48 0.00 47 L 8.47 4.94 0.00 1.62 1.56 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 9.24 5.29 0.00 2.89 2.83 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 49 V 8.68 4.88 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 1.01 0.00 0.00 1.08 0.00 0.00 50 V 8.79 4.19 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 0.94 0.00 0.00 0.93 0.00 0.00 51 T 8.79 4.07 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 1.23 0.00 0.00 52 E 8.23 4.58 0.00 2.02 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 2.25 2.28 0.00 53 G 8.95 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 54 K 8.45 4.86 0.00 1.66 1.64 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.33 7.81 55 V 8.68 4.60 1.99 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 0.73 0.00 0.00 0.81 0.00 0.00 56 K 8.82 4.69 0.00 1.86 1.65 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.68 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.41 7.81 57 L 8.95 5.10 0.00 1.61 1.57 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 58 H 9.11 5.28 0.00 3.27 3.34 0.00 5.40 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.79 5.10 0.00 1.90 1.76 0.00 3.10 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.95 0.00 60 T 8.70 4.77 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 1.26 0.00 0.00 61 S 9.90 4.33 0.00 3.79 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 62 P 0.00 4.42 0.00 2.04 2.14 0.00 3.64 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 2.04 2.11 0.00 63 D 8.26 4.76 0.00 2.73 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 64 G 8.76 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 0.00 0.00 0.00 65 R 7.62 4.32 0.00 2.00 2.07 0.00 2.95 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 66 E 8.41 4.87 0.00 1.93 1.95 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 2.27 2.23 0.00 67 N 8.99 4.72 0.00 2.75 2.55 0.00 0.00 6.36 6.53 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 *69 L 8.56 4.38 0.00 1.81 1.83 0.95 0.91 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 70 A 7.64 4.55 1.20 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 0.00 0.00 71 V 8.39 4.68 2.08 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 0.81 0.00 0.00 0.92 0.00 0.00 72 V 9.10 4.27 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 1.00 0.00 0.00 0.94 0.00 0.00 73 G 8.27 4.43 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 0.00 74 P 0.00 4.55 0.00 2.06 2.18 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 75 S 9.60 4.27 0.00 4.12 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 76 E 7.92 4.75 0.00 2.12 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 2.27 2.29 0.00 77 L 8.40 5.28 0.00 1.55 1.65 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.46 4.51 2.11 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 1.22 0.83 1.17 0.00 0.00 79 G 8.96 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 0.00 0.00 0.00 80 E 8.58 3.86 0.00 2.06 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 2.41 2.37 0.00 81 L 7.91 4.35 0.00 1.77 1.78 0.95 0.94 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 82 S 7.95 4.52 0.00 4.15 4.06 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 83 L 7.53 3.74 0.00 1.43 1.27 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 84 F 7.63 4.86 0.00 3.12 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 D 8.34 4.77 0.00 2.57 2.56 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 86 P 0.00 4.38 0.00 1.90 1.93 0.00 3.64 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.11 0.00 87 G 8.43 4.09 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 0.00 0.00 0.00 88 P 0.00 4.90 0.00 2.07 2.05 0.00 3.76 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 1.97 1.99 0.00 89 R 9.18 4.02 0.00 1.81 1.91 0.00 2.21 0.00 0.00 2.75 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.09 0.00 90 T 8.68 4.39 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 1.21 0.00 0.00 91 A 7.58 4.94 1.26 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 0.00 0.00 92 T 9.21 4.55 3.90 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 1.08 0.00 0.00 93 G 8.00 3.90 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 0.00 0.00 0.00 94 T 8.61 5.07 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 1.17 0.00 0.00 95 A 8.99 4.37 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 96 L 8.93 4.41 0.00 1.59 1.70 0.90 0.76 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 97 T 7.36 4.62 4.22 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 1.19 0.00 0.00 98 E 8.82 4.16 0.00 2.06 1.87 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 2.36 2.31 0.00 99 V 8.93 4.86 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 0.84 0.00 0.00 0.95 0.00 0.00 100 K 8.89 5.19 0.00 1.72 1.64 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.17 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.37 7.81 101 L 9.05 5.31 0.00 1.73 1.76 0.85 0.66 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 0.00 102 L 8.87 5.22 0.00 1.59 1.52 0.89 0.75 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 0.00 103 A 9.00 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.66 4.53 0.00 1.65 1.46 0.79 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.96 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 0.00 0.00 0.00 106 H 8.89 4.35 0.00 3.10 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.10 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 0.00 108 D 8.12 4.68 0.00 2.81 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 0.00 109 L 7.84 4.20 0.00 1.93 1.68 1.14 0.85 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 0.00 110 Q 8.09 3.98 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 111 P 0.00 4.28 0.00 2.26 2.12 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 112 W 7.99 4.36 0.00 3.39 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 0.00 113 L 8.34 3.82 0.00 1.81 1.62 0.88 0.23 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 0.00 114 N 8.33 4.36 0.00 2.88 2.90 0.00 0.00 7.00 8.07 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 0.00 115 V 7.70 4.02 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 0.89 0.00 0.00 1.04 0.00 0.00 116 R 7.96 4.60 0.00 2.12 1.77 0.00 3.24 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.63 0.00 117 P 0.00 4.48 0.00 2.16 2.05 0.00 3.92 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 2.10 2.02 0.00 118 E 8.13 3.96 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 119 V 7.71 3.40 1.56 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 -0.17 0.00 0.00 0.63 0.00 0.00 120 A 7.52 3.83 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 0.00 121 T 7.79 3.73 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 122 A 7.92 3.96 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 0.00 123 L 8.44 3.94 0.00 1.55 1.63 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.11 3.80 0.00 1.78 1.63 0.88 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.18 3.80 0.00 1.93 2.10 0.00 3.09 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 126 A 7.90 3.93 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 0.00 127 V 7.69 3.44 1.85 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 0.87 0.00 0.00 0.64 0.00 0.00 128 A 8.13 3.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.09 3.79 0.00 2.00 2.11 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 130 R 7.67 3.89 0.00 1.82 1.95 0.00 3.18 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 131 L 7.94 3.91 0.00 1.83 1.78 0.96 0.90 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 0.00 132 R 8.18 3.84 0.00 1.91 2.11 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 133 K 8.13 3.92 0.00 1.91 1.84 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.67 1.63 7.81 134 T 7.80 3.76 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 135 N 8.11 4.51 0.00 2.81 2.87 0.00 0.00 7.10 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.54 4.67 0.00 2.80 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 0.00 137 A 7.31 4.05 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 *141 L 8.02 4.46 0.00 1.69 1.82 0.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.19 3.01 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 0.45 0.00 0.00 0.86 0.00 0.00 143 F 8.34 3.71 0.00 3.14 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 0.00 144 S 7.61 4.63 0.00 3.86 3.84 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 0.00 145 D 8.03 4.79 0.00 2.76 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 0.00 146 G 9.02 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 7.62 4.28 0.00 4.01 3.90 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 * Residues marked with a * may have inaccurate shift predictions.