NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.7951 8.4449 117.7968 55.7581 30.3863 172.2119 3 I 3.8699 8.5539 125.7036 58.7660 38.6562 173.8499 4 K 4.5895 9.3791 129.3464 56.7650 33.3925 176.2552 5 S 5.5657 9.6163 120.8674 56.7483 67.2658 172.9969 6 A 5.2005 9.0262 123.3758 50.3364 22.7573 174.9460 7 I 4.7513 8.4818 121.6436 59.5356 40.4166 175.0208 8 I 4.7912 8.5505 126.5688 59.6076 40.3972 174.4232 9 V 4.4286 8.7894 128.8591 61.5520 33.0144 174.7773 10 V 4.6900 8.4529 128.9305 61.9797 33.4315 174.4075 11 S 4.4363 8.8035 119.3089 56.7210 66.2040 176.2335 12 D 4.3781 8.8301 127.9340 57.7420 40.8681 179.0661 13 R 3.9496 7.8879 117.9572 59.2976 29.9393 179.0732 14 I 4.1314 7.6828 120.1408 63.7550 37.1402 177.9147 15 S 4.2360 7.9478 113.5027 61.6921 62.2851 176.0733 16 T 4.1679 7.7567 110.7885 62.7677 68.8910 175.6076 17 G 4.0216 7.8080 108.9761 45.4162 0.0000 174.0670 18 T 4.2474 7.6148 108.1440 61.9768 69.6528 174.5869 19 R 4.6376 7.4272 122.2687 54.2470 33.3002 173.8123 20 E 4.0700 8.6060 123.7814 56.2974 30.0309 177.0364 21 N 4.5834 8.4571 122.0138 52.9366 37.7047 174.3608 22 K 4.1753 8.2777 124.5523 57.7720 33.3979 179.5392 23 A 3.9451 8.0814 121.0137 54.8186 18.1852 178.9236 24 L 3.7964 8.2674 119.1127 57.9560 42.2210 177.5721 25 P 4.1621 0.0000 0.0000 65.5040 31.1605 178.0238 26 L 3.7901 7.6173 120.0398 58.0712 41.8515 178.8080 27 L 3.5469 7.9360 117.7312 57.9197 41.5911 179.2791 28 Q 4.0186 7.9746 117.0899 58.9958 28.6807 178.8842 29 R 4.0460 7.6386 118.1152 58.9177 30.1471 179.8798 30 L 3.8603 7.2924 116.8937 53.5441 41.7162 176.9928 *32 S 4.2419 7.6796 112.9260 58.6874 64.0476 172.3477 33 D 4.0922 7.8796 123.7246 50.4914 41.5927 175.4017 *38 Y 4.4397 7.9563 118.7630 57.2648 39.3163 173.6975 39 S 4.4897 7.8912 112.5165 57.1543 66.2298 171.7158 40 Y 4.9509 8.5872 122.3551 56.6440 39.5729 174.8257 41 E 4.4588 9.1865 126.3268 54.2042 31.1922 174.7386 42 L 4.7929 8.5893 130.3501 55.2145 41.7255 176.2411 43 I 4.2391 8.8411 121.3433 62.1763 38.9191 176.0394 44 S 4.7887 7.6737 116.9688 57.0897 65.7576 172.6935 45 E 5.2997 8.6514 123.6878 54.9645 32.4052 174.7742 46 V 4.6074 8.7646 114.8831 59.7699 36.8673 174.0605 47 V 4.8673 8.3332 121.4402 61.3467 33.6494 175.0714 48 V 4.6340 8.7408 120.2063 58.6489 35.7131 173.5620 49 P 4.8144 0.0000 0.0000 62.3680 32.4524 176.1416 50 E 4.1032 9.4169 121.3483 56.6122 30.3226 176.6287 51 G 4.7322 8.6253 108.1534 43.4851 0.0000 174.0971 52 Y 3.9654 8.4938 120.7187 60.9024 38.8695 177.4406 53 D 4.5075 8.3122 119.6383 57.5259 41.0146 178.7745 54 T 3.8734 7.8745 109.9024 64.8323 68.7804 176.6973 55 V 3.5201 7.4811 120.5574 65.4335 31.4957 177.9152 56 V 3.7651 7.9085 118.4541 66.2217 31.2608 177.6023 57 E 3.9335 8.4052 118.5878 59.2704 29.5234 178.6012 58 A 3.9571 8.0271 120.7841 55.1607 18.3318 179.7640 59 I 3.3821 8.0223 118.4179 64.3302 37.0786 178.4922 60 A 3.9866 8.1153 121.7825 55.4238 18.2096 179.7872 61 T 3.7747 8.0964 113.9958 66.7760 68.5812 176.6897 62 A 3.9698 7.9435 122.5523 55.1060 18.3812 179.6201 63 L 3.9182 8.0743 117.6940 57.9938 41.4891 179.9067 64 K 4.0295 8.0046 117.2394 59.4561 32.0914 178.6775 65 Q 4.2814 7.8081 115.7035 56.4635 28.8519 176.8597 66 G 3.9448 7.8561 108.6083 44.7668 0.0000 173.7914 67 A 4.2340 7.8457 123.0327 52.5427 18.8392 178.0825 68 R 4.7119 9.2424 120.8157 56.0461 32.3529 175.6045 69 F 5.6386 8.1738 121.8537 56.6261 42.8582 173.0266 70 I 4.6834 8.6010 127.0055 59.2874 40.4634 174.2473 71 I 4.7492 8.3327 127.6396 59.2259 40.6352 174.3738 72 T 5.1021 8.7932 119.2861 60.0872 72.0191 173.4173 73 A 4.7943 8.9657 124.0794 52.3897 21.9060 176.2137 74 G 4.0245 8.6566 108.5481 47.1674 0.0000 173.0007 75 G 4.2037 9.0417 103.9650 46.7266 0.0000 175.0148 76 T 4.4462 7.8256 107.9951 61.0152 69.9988 175.2954 77 G 4.1638 7.7261 112.8086 45.6498 0.0000 173.0442 78 I 4.2662 8.1369 118.7167 60.5802 39.3401 177.1664 79 R 4.0260 7.8634 118.6640 56.8644 30.5906 177.0155 80 A 4.0192 8.7880 123.9504 55.4025 18.2872 179.2319 81 K 4.1871 7.9015 111.8372 58.3571 33.1496 177.4919 82 N 4.8628 7.8556 118.1109 52.7877 36.9139 174.1306 83 Q 5.1827 8.0623 118.8839 54.4558 30.5517 177.9274 84 T 3.8493 8.2461 118.0556 66.4137 68.2994 174.6964 85 P 4.4715 0.0000 0.0000 65.5723 31.3054 178.5519 86 E 4.0256 8.2291 116.6810 59.3955 29.4069 178.9991 87 A 3.2698 8.3085 121.1421 55.3023 18.3132 179.8260 88 T 3.9734 8.2988 114.2868 66.8639 68.5697 176.7232 89 A 4.0589 8.4268 123.1106 55.1277 18.1070 179.6315 90 S 4.1205 7.7726 111.8223 60.6762 63.2246 175.1041 91 F 4.5642 8.2999 120.2839 57.5211 39.9142 175.4597 92 I 4.2758 7.5569 122.5927 61.0910 37.7828 175.2087 93 H 4.5002 9.3238 125.9668 58.2284 30.4329 175.6542 94 T 4.6401 7.5552 115.1717 61.7302 71.8058 173.7070 95 R 4.5772 8.5679 125.2249 56.2855 31.7185 176.5784 96 C 4.7873 8.6190 118.5390 58.3541 27.6675 174.9291 97 E 4.1529 8.0717 122.4240 58.8630 29.4596 178.9787 98 G 3.6358 8.0669 105.6962 47.8361 0.0000 175.5783 99 L 3.9735 7.8214 121.1280 57.4023 41.7551 179.0236 100 E 3.9649 8.0142 118.1029 59.8219 29.3837 179.6302 101 Q 4.0344 8.3681 118.0002 59.1173 28.7660 178.9099 102 Q 4.0367 8.4297 119.3589 58.9230 28.7201 178.8007 103 I 3.8007 8.0275 121.1309 64.2410 36.8852 178.2781 104 L 4.0015 7.6125 119.8428 58.0883 42.0276 178.6473 105 I 3.8531 7.8947 119.1893 64.8090 37.1509 177.6599 106 H 4.4483 8.7149 118.3638 56.5465 29.9825 176.7271 107 G 3.7790 8.5473 105.0731 45.2877 0.0000 175.0220 *115 G 4.0354 9.1595 111.4768 45.3638 0.0000 174.2514 116 L 4.1412 7.8233 117.7184 56.2386 42.1202 177.1102 117 S 4.2375 7.9939 114.1262 58.4060 62.6615 173.5393 118 R 4.5644 8.3149 125.5261 55.7519 30.2648 176.4321 119 G 3.9112 7.8522 106.3277 46.6421 0.0000 173.6385 120 I 4.8197 9.1048 117.4051 59.0052 41.2704 174.3773 121 V 4.8144 8.8820 121.9645 61.3985 34.8577 174.5047 122 G 4.2963 8.5930 112.8796 46.2327 0.0000 172.0713 123 V 5.1904 8.6845 113.1879 59.6834 34.9395 177.0118 124 T 4.4981 8.1277 112.1336 61.1158 69.4939 174.6907 125 G 3.8498 6.9052 108.7227 46.3689 0.0000 173.6945 126 R 4.5336 8.6662 119.0287 55.5114 31.4708 174.6048 127 D 5.1958 7.8125 117.9846 50.5200 42.2100 175.5531 128 D 5.2182 8.6530 117.1358 54.3138 39.4006 176.1740 129 H 4.6997 8.5455 116.1976 56.0365 29.8362 175.0215 130 A 4.3875 8.0527 121.5687 51.8033 19.0076 176.7960 131 A 5.0980 9.0264 122.0643 50.1714 22.5466 175.2618 132 L 4.9239 9.1422 122.6589 53.7063 44.2114 175.3177 133 I 4.9420 8.8281 127.1187 59.4727 40.4450 174.6897 134 V 4.7006 8.6367 125.8874 61.1963 34.6911 173.7749 135 N 5.5427 9.3276 125.7317 51.5271 39.2668 174.6232 136 A 4.7725 9.0159 126.4818 49.5029 21.9699 174.6545 137 P 4.8698 0.0000 0.0000 62.0521 32.2302 177.1640 138 S 4.2908 8.4502 113.7693 60.9848 63.4598 175.8228 139 S 4.3758 7.7954 115.9095 57.8945 64.9356 175.1801 140 S 4.1887 8.6477 120.1655 61.8093 62.7054 177.2294 141 G 3.7337 8.1602 108.0984 47.7546 0.0000 175.8288 142 G 3.6584 8.3480 108.1928 47.5627 0.0000 175.8678 143 I 3.8162 8.1016 122.8218 64.4429 37.1459 178.6975 144 T 4.0031 8.2209 110.7124 64.8660 68.0527 176.4556 145 D 4.5011 8.3346 121.8368 57.4144 40.8404 178.7869 146 T 3.9450 8.2083 116.3472 66.4652 68.4749 176.4720 147 W 4.0616 8.6894 130.2761 60.4696 30.5225 177.7272 148 A 4.0771 8.1794 119.8344 55.0047 17.7828 179.4150 149 V 3.6902 7.1983 115.0021 65.8736 32.0898 178.1271 150 I 3.7234 7.6797 119.5822 64.0626 36.8105 177.9990 151 S 3.5271 7.5982 114.4370 61.0643 61.8826 174.7750 152 P 4.3149 0.0000 0.0000 64.4923 31.3340 177.8676 153 V 4.1079 7.4439 109.8979 60.9974 32.0454 177.5580 154 I 3.5143 7.1066 121.2709 64.1312 36.9197 176.0452 155 P 4.0087 0.0000 0.0000 65.8089 31.1066 178.4361 156 N 4.2914 7.9271 114.5451 56.1290 38.4439 177.3284 157 I 3.4983 7.8216 121.4834 64.5791 37.1823 178.6266 158 F 4.0533 8.0660 118.4179 60.1006 38.4481 177.4940 159 E 4.0275 8.4176 119.0855 59.1233 29.4769 178.8423 160 G 3.7093 8.1486 105.7022 47.9547 0.0000 175.7593 161 L 4.0116 8.2184 122.2769 56.9953 41.5472 178.4116 162 D 4.7897 8.3088 116.6252 54.3325 40.8944 176.5263 163 A 4.2944 7.5192 126.9471 52.6010 18.5537 177.0908 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 2 H 8.44 4.80 0.00 2.99 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.55 3.87 1.54 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.49 0.63 0.00 0.00 4 K 9.38 4.59 0.00 1.77 1.78 0.00 1.50 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.56 7.81 5 S 9.62 5.57 0.00 3.91 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 6 A 9.03 5.20 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.48 4.75 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.98 0.86 0.00 0.00 8 I 8.55 4.79 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.70 0.86 0.00 0.00 9 V 8.79 4.43 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 0.97 0.00 0.00 0.93 0.00 0.00 10 V 8.45 4.69 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 0.88 0.00 0.00 0.91 0.00 0.00 11 S 8.80 4.44 0.00 3.86 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.83 4.38 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.89 3.95 0.00 1.82 1.97 0.00 3.29 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 14 I 7.68 4.13 1.86 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 1.52 1.41 0.90 0.00 0.00 15 S 7.95 4.24 0.00 4.00 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 16 T 7.76 4.17 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 1.26 0.00 0.00 17 G 7.81 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 0.00 0.00 0.00 18 T 7.61 4.25 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 19 R 7.43 4.64 0.00 1.79 1.73 0.00 3.17 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 20 E 8.61 4.07 0.00 1.99 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 0.00 2.30 2.29 0.00 21 N 8.46 4.58 0.00 2.66 2.74 0.00 0.00 7.08 6.68 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 22 K 8.28 4.18 0.00 1.84 1.81 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.41 7.81 23 A 8.08 3.95 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.27 3.80 0.00 1.74 1.71 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.16 0.00 2.25 2.25 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.99 0.00 26 L 7.62 3.79 0.00 1.66 1.86 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.94 3.55 0.00 1.64 1.52 0.89 0.88 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 28 Q 7.97 4.02 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 29 R 7.64 4.05 0.00 1.83 1.90 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 30 L 7.29 3.86 0.00 0.38 0.13 0.55 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 *32 S 7.68 4.24 0.00 3.99 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 33 D 7.88 4.09 0.00 2.72 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.96 4.44 0.00 2.95 2.96 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 39 S 7.89 4.49 0.00 3.73 3.43 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 40 Y 8.59 4.95 0.00 3.01 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 41 E 9.19 4.46 0.00 2.11 1.91 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 2.27 2.29 0.00 42 L 8.59 4.79 0.00 1.73 1.63 1.04 1.08 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 43 I 8.84 4.24 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.76 0.99 0.00 0.00 44 S 7.67 4.79 0.00 3.87 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 45 E 8.65 5.30 0.00 1.89 1.82 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 2.14 2.37 0.00 46 V 8.76 4.61 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 0.69 0.00 0.00 0.90 0.00 0.00 47 V 8.33 4.87 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.91 0.00 0.00 48 V 8.74 4.63 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 0.70 0.00 0.00 0.97 0.00 0.00 49 P 0.00 4.81 0.00 1.94 2.07 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 50 E 9.42 4.10 0.00 1.92 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 2.34 2.28 0.00 51 G 8.63 4.73 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 52 Y 8.49 3.97 0.00 3.13 2.96 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 53 D 8.31 4.51 0.00 2.80 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 54 T 7.87 3.87 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 55 V 7.48 3.52 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 1.01 0.00 0.00 0.97 0.00 0.00 56 V 7.91 3.77 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 1.12 0.00 0.00 0.41 0.00 0.00 57 E 8.41 3.93 0.00 2.17 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 2.32 2.35 0.00 58 A 8.03 3.96 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 59 I 8.02 3.38 1.25 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.62 -0.26 0.00 0.00 60 A 8.12 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.10 3.77 4.39 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 1.20 0.00 0.00 62 A 7.94 3.97 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.07 3.92 0.00 1.80 1.73 0.71 1.03 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 64 K 8.00 4.03 0.00 1.96 1.89 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.65 7.81 65 Q 7.81 4.28 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.55 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 66 G 7.86 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 0.00 0.00 0.00 67 A 7.85 4.23 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 9.24 4.71 0.00 1.75 2.23 0.00 3.09 0.00 0.00 3.10 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 69 F 8.17 5.64 0.00 3.33 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 70 I 8.60 4.68 1.70 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.53 0.73 0.00 0.00 71 I 8.33 4.75 1.48 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.70 0.80 0.00 0.00 72 T 8.79 5.10 4.20 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 1.13 0.00 0.00 73 A 8.97 4.79 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 74 G 8.66 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 0.00 0.00 0.00 75 G 9.04 4.20 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 0.00 76 T 7.83 4.45 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 1.28 0.00 0.00 77 G 7.73 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 78 I 8.14 4.27 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 0.92 0.00 0.00 79 R 7.86 4.03 0.00 1.92 1.86 0.00 3.21 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 80 A 8.79 4.02 1.30 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 81 K 7.90 4.19 0.00 1.90 1.96 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.47 7.81 82 N 7.86 4.86 0.00 2.98 3.04 0.00 0.00 6.73 7.11 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 83 Q 8.06 5.18 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.49 6.90 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 84 T 8.25 3.85 4.33 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 1.20 0.00 0.00 85 P 0.00 4.47 0.00 2.19 2.31 0.00 3.60 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 86 E 8.23 4.03 0.00 2.43 2.31 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 0.00 2.49 2.52 0.00 87 A 8.31 3.27 1.06 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 0.00 0.00 88 T 8.30 3.97 4.42 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 1.24 0.00 0.00 89 A 8.43 4.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 7.77 4.12 0.00 3.79 3.98 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 91 F 8.30 4.56 0.00 3.24 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 92 I 7.56 4.28 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.80 0.98 0.00 0.00 93 H 9.32 4.50 0.00 3.20 3.50 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 7.56 4.64 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 1.22 0.00 0.00 95 R 8.57 4.58 0.00 1.81 1.86 0.00 3.49 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 96 C 8.62 4.79 0.00 2.90 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 97 E 8.07 4.15 0.00 2.01 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 2.40 2.38 0.00 98 G 8.07 3.64 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 0.00 0.00 0.00 99 L 7.82 3.97 0.00 1.84 1.71 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.01 3.96 0.00 2.23 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 2.35 2.55 0.00 101 Q 8.37 4.03 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 102 Q 8.43 4.04 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 103 I 8.03 3.80 2.05 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 1.43 1.04 0.95 0.00 0.00 104 L 7.61 4.00 0.00 1.76 1.84 0.94 1.29 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 0.00 105 I 7.89 3.85 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.78 0.93 0.00 0.00 106 H 8.71 4.45 0.00 3.16 3.39 0.00 5.74 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.55 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 0.00 0.00 0.00 *115 G 9.16 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.82 4.14 0.00 1.66 1.75 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.99 4.24 0.00 3.84 3.79 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 0.00 118 R 8.31 4.56 0.00 1.97 1.92 0.00 3.24 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 119 G 7.85 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 0.00 0.00 0.00 120 I 9.10 4.82 2.00 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 1.28 0.69 0.93 0.00 0.00 121 V 8.88 4.81 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 1.04 0.00 0.00 0.96 0.00 0.00 122 G 8.59 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 0.00 123 V 8.68 5.19 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 0.65 0.00 0.00 1.03 0.00 0.00 124 T 8.13 4.50 4.34 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 1.37 0.00 0.00 125 G 6.91 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 0.00 126 R 8.67 4.53 0.00 1.69 1.85 0.00 3.25 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.45 0.00 127 D 7.81 5.20 0.00 2.84 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 0.00 128 D 8.65 5.22 0.00 2.90 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 0.00 129 H 8.55 4.70 0.00 3.32 3.40 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.05 4.39 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 131 A 9.03 5.10 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 0.00 132 L 9.14 4.92 0.00 1.61 1.83 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 133 I 8.83 4.94 1.86 0.00 0.00 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 1.02 0.82 0.82 0.00 0.00 134 V 8.64 4.70 2.17 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 1.17 0.00 0.00 1.14 0.00 0.00 135 N 9.33 5.54 0.00 2.63 2.76 0.00 0.00 6.82 7.12 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 0.00 136 A 9.02 4.77 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 P 0.00 4.87 0.00 2.07 2.04 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 138 S 8.45 4.29 0.00 3.98 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 0.00 139 S 7.80 4.38 0.00 4.08 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.65 4.19 0.00 3.88 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 0.00 141 G 8.16 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 0.00 142 G 8.35 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 0.00 0.00 0.00 143 I 8.10 3.82 2.05 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 1.60 0.86 0.91 0.00 0.00 144 T 8.22 4.00 4.31 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 0.00 0.00 0.00 1.30 0.00 0.00 145 D 8.33 4.50 0.00 2.94 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 0.00 146 T 8.21 3.94 4.53 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 0.00 0.00 0.00 1.32 0.00 0.00 147 W 8.69 4.06 0.00 3.61 3.31 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 0.00 0.00 0.00 0.00 148 A 8.18 4.08 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 7.20 3.69 2.17 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 0.89 0.00 0.00 0.93 0.00 0.00 150 I 7.68 3.72 1.54 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 1.57 1.02 0.70 0.00 0.00 151 S 7.60 3.53 0.00 2.74 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.31 0.00 2.00 2.07 0.00 3.66 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 153 V 7.44 4.11 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 0.78 0.00 0.00 0.91 0.00 0.00 154 I 7.11 3.51 1.72 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.58 0.49 0.00 0.00 155 P 0.00 4.01 0.00 2.06 1.97 0.00 3.48 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 156 N 7.93 4.29 0.00 2.79 2.80 0.00 0.00 7.12 7.42 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 0.00 157 I 7.82 3.50 1.61 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 1.36 0.71 0.41 0.00 0.00 158 F 8.07 4.05 0.00 2.96 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 0.00 159 E 8.42 4.03 0.00 2.01 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 0.00 2.31 2.32 0.00 160 G 8.15 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 0.00 0.00 0.00 161 L 8.22 4.01 0.00 1.67 1.94 0.64 0.93 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 0.00 162 D 8.31 4.79 0.00 2.90 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 A 7.52 4.29 1.30 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 * Residues marked with a * may have inaccurate shift predictions.