NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2764 8.1593 117.3738 63.5584 69.8307 173.3677 2 S 4.4576 8.2960 120.3890 55.8037 65.1999 173.2387 3 K 4.0030 9.4261 122.3636 59.7264 32.7595 179.6690 4 K 3.8201 8.1199 118.1359 59.6879 31.8167 178.9257 5 K 4.0215 7.7980 117.4018 58.6892 32.0877 177.8071 6 R 4.4357 7.6511 116.1388 56.4539 30.7177 177.6932 7 Q 4.1653 8.0356 119.7563 57.1851 28.4147 175.9801 8 R 4.0566 7.5457 118.9792 58.6963 30.0891 176.1670 9 G 4.1126 9.0141 111.7978 45.7488 0.0000 174.2510 10 S 4.1681 8.1124 113.1620 58.6071 63.3585 174.1635 11 R 4.1371 7.9190 124.8743 57.3046 29.2196 176.4793 12 T 4.3061 7.6131 104.7385 61.1787 69.6909 174.1318 13 H 4.7858 8.4082 117.7477 56.1249 26.8206 175.7851 14 G 3.9352 8.3815 104.9817 45.8539 0.0000 174.7059 15 G 3.8129 8.4058 108.0195 45.5755 0.0000 175.8740 16 G 3.9331 7.9036 106.3273 44.6585 0.0000 173.7574 17 S 4.1989 8.5916 117.0212 58.7302 62.7600 174.9302 18 H 4.4674 8.7792 120.6126 57.0462 28.4246 176.0011 19 K 4.0427 7.6478 119.0072 57.3892 31.9169 177.7086 20 N 4.3507 7.5891 117.3460 55.9671 39.0062 177.2394 21 R 4.3354 7.4381 121.0717 56.2767 28.8451 177.7655 22 R 4.5904 7.3487 123.2681 56.2728 31.2359 179.2286 23 G 4.0274 8.4454 120.6090 45.7422 0.0000 173.4547 24 A 4.1413 8.6816 121.4760 54.4740 19.0073 180.2650 25 G 3.5922 8.1096 105.0920 48.7413 0.0000 174.9106 26 H 4.4836 8.0767 117.5073 57.7020 29.9136 175.6285 27 R 4.4403 7.9316 116.3601 55.8379 30.6818 175.7903 28 G 3.8343 8.5532 105.6189 46.8026 0.0000 174.8306 29 G 4.0391 8.3342 104.8087 44.2053 0.0000 174.3457 30 R 3.9936 8.5821 120.2579 57.1996 31.6714 176.4613 31 G 3.8212 8.2770 113.4519 47.4910 0.0000 173.3271 32 D 4.7205 8.5800 121.4605 54.0851 40.7850 175.6561 33 A 4.0860 7.5358 122.6380 53.8059 18.8908 179.2200 34 G 3.7496 8.9501 110.1664 45.1976 0.0000 175.0444 35 R 4.0343 7.9260 115.7656 56.9472 29.2220 177.2497 36 D 5.0778 7.8623 115.6565 52.6684 41.2104 175.8759 37 K 4.3519 8.8144 118.0014 56.8340 32.3602 178.4812 38 H 4.6490 9.7472 125.3626 58.4747 29.2756 175.9323 39 E 4.7709 7.3536 119.1545 55.6289 29.9207 178.1854 40 F 4.9276 8.3560 115.4340 59.3018 38.5021 175.1621 41 H 3.5890 6.5872 117.2212 57.3936 28.6358 174.3007 42 N 4.2587 8.8102 120.0971 54.7617 35.8306 173.5849 43 H 4.9340 7.6483 113.0467 53.6020 31.7738 174.1303 44 E 4.1760 8.6497 122.8109 55.2853 30.0102 175.2752 45 P 4.4437 0.0000 0.0000 62.7606 31.7885 176.1202 46 L 4.1279 8.0278 119.0692 54.9375 42.2118 175.9332 47 G 4.2876 7.9743 105.8147 43.4256 0.0000 173.1028 48 K 4.6407 8.0210 119.3439 54.7654 34.3047 176.4534 49 S 4.4101 8.4434 115.2672 58.1142 65.4436 175.6867 50 G 4.0693 9.1305 117.6780 45.3117 0.0000 171.6172 51 F 4.9799 8.4138 112.5936 55.6360 40.8964 173.2358 52 K 4.2386 8.2820 119.3126 54.4293 34.9884 176.5194 53 R 4.4664 8.0066 121.6639 54.0500 31.5046 174.6775 54 P 4.2842 0.0000 0.0000 63.2403 31.8148 177.1285 55 Q 3.8841 8.9364 120.7507 58.9194 28.7570 178.4856 56 K 4.4584 7.9518 114.1576 56.7003 32.7356 176.8681 57 V 4.3104 8.0249 116.9801 62.9019 32.0892 174.9385 58 Q 4.5620 7.4998 116.1846 54.8019 30.0227 174.7505 59 E 4.5285 8.5781 121.0764 54.4145 32.0020 175.0256 60 E 4.4402 8.3966 123.9693 54.2144 31.4608 174.3379 61 A 3.8370 8.1824 129.3329 51.2431 19.7384 176.3384 62 A 4.3711 9.1107 125.7503 51.2156 19.7883 176.9087 63 T 5.3977 7.9988 111.8739 60.5089 71.7822 173.8049 64 I 4.2438 7.6951 118.1190 60.3576 41.3770 172.5980 65 D 5.2186 8.4587 128.3494 53.3679 42.4522 177.8654 66 V 3.6328 8.6166 115.6934 64.6785 31.4394 178.8016 67 R 3.8835 7.8267 117.9512 59.6265 29.5670 178.1327 68 E 3.8914 7.9545 117.5075 59.3074 29.9689 178.4625 69 I 3.7846 7.6816 119.2831 64.4825 37.1522 177.5129 70 D 4.2954 8.5375 118.9570 57.6406 40.8964 178.2468 71 E 4.1864 8.3518 117.0957 58.1311 29.3223 177.1667 72 N 5.0260 7.9294 116.5689 52.9057 40.2519 177.1998 73 V 3.1949 7.5369 113.6447 64.7108 31.7471 178.8159 74 T 3.9183 7.6198 108.1062 64.7939 68.4350 175.4698 75 L 4.1137 7.1799 121.0040 56.8661 41.9583 177.0827 76 L 4.4198 7.6905 119.4607 53.9899 41.7519 178.4617 77 A 4.0057 8.2148 122.9262 55.3305 18.5664 178.1744 78 A 4.4949 7.7325 117.6830 51.9905 19.0601 177.3754 79 D 4.5111 8.3362 119.9099 56.3113 45.5670 176.2585 80 D 4.2250 7.5722 122.1643 49.2254 41.5480 175.4174 81 V 4.5331 8.2817 120.8131 61.2897 34.3509 174.8410 82 A 4.3053 8.0052 129.9202 51.0447 20.6036 175.9509 83 E 3.7472 8.9423 111.7719 59.6149 29.8556 177.3199 *89 F 4.5266 7.7605 117.3667 57.3592 41.0644 173.9656 90 R 5.0657 8.7769 120.7229 54.7683 32.4277 174.7673 91 V 4.5013 8.6062 125.8364 59.8834 35.0257 174.6797 92 D 4.7810 8.7074 123.7277 52.8698 40.9140 176.4170 93 V 3.6001 8.5280 128.3188 66.3816 31.5420 178.4023 94 R 3.4109 7.6617 117.0482 59.1323 29.8829 177.7145 95 D 4.6387 8.1957 116.6475 54.8536 41.2848 178.0851 96 V 3.9510 8.1994 119.7462 63.9122 32.3982 176.1936 97 V 3.6010 7.2723 116.9350 63.0870 31.5813 175.5101 98 E 4.2002 8.5772 126.0024 57.0878 30.4032 176.8865 99 E 4.2708 9.0426 117.1761 57.3046 26.8716 175.4142 100 A 4.4803 7.5121 119.6704 52.7026 18.6098 178.0003 101 D 4.7640 7.9746 118.3365 57.1698 42.8004 178.1959 102 D 4.5448 8.0028 116.0583 53.3203 38.0375 174.8814 103 A 4.8384 7.5504 122.6607 50.7229 20.8883 178.3833 104 D 4.4428 8.6100 121.4597 56.3224 41.7379 175.5210 105 Y 4.7293 6.4577 115.1555 56.8675 41.9701 172.3465 106 V 4.7806 9.1266 120.8395 61.1922 33.8766 174.3206 107 K 4.8973 9.2953 128.8865 54.5734 35.4854 174.5740 108 V 4.6174 8.3199 127.5694 61.6978 33.1393 174.7465 109 L 4.7866 9.2697 128.0363 52.4777 44.5991 176.7354 110 G 4.4520 8.1865 107.9631 45.3164 0.0000 173.4815 111 A 4.5736 8.1276 120.5751 51.7764 21.5116 179.3648 112 G 4.0032 8.9471 108.8140 44.5294 0.0000 172.1979 113 Q 4.4624 8.1031 117.2755 54.2656 30.8576 175.5213 114 V 4.2369 7.9371 117.4449 61.9771 32.9966 174.4353 115 R 4.5312 8.6453 126.1622 56.0775 30.1313 175.6756 116 H 5.1802 7.6834 113.9269 54.1368 33.4869 172.5832 117 E 4.9034 8.8291 118.0713 55.0444 30.3045 175.6389 118 L 5.1075 8.5998 124.1683 53.0433 45.9618 175.9125 119 T 4.9148 8.7576 119.5052 62.1003 70.5667 172.6867 120 L 5.1888 8.7457 127.2970 53.1344 44.2641 175.8535 121 I 5.7310 8.6093 123.9337 59.0050 39.8010 174.6957 122 A 4.7230 8.5935 127.2275 50.9809 22.4549 175.8636 123 D 4.4291 8.6749 117.2032 56.3747 41.9369 176.3166 124 D 4.5579 7.0933 115.5756 53.7555 44.3896 174.2796 125 F 5.6654 9.0647 120.3019 55.2860 43.5411 174.0602 126 S 4.7451 8.6436 115.0381 57.1847 65.4324 174.7464 127 E 4.0458 9.1764 120.6242 60.0063 29.2060 179.8068 128 G 3.7757 8.2909 104.5112 48.0454 0.0000 175.2048 129 A 4.0654 7.8454 122.5034 54.9237 18.3510 179.9707 130 R 3.7626 8.1070 116.4753 59.4759 30.1857 178.8172 131 E 3.9407 8.3787 118.5866 59.6358 29.3845 179.9076 132 K 3.9570 8.0074 118.0258 59.6154 32.3028 179.7641 133 V 3.6209 7.9955 118.3380 65.6420 31.2773 177.7961 134 E 4.7798 7.9761 120.2033 58.2844 29.4086 178.9365 135 G 3.8062 8.3925 104.8059 46.8437 0.0000 173.6529 136 A 4.5977 7.7542 123.6383 51.8368 19.3768 177.0221 137 G 4.1194 8.3738 105.9235 48.6713 0.0000 173.8681 138 G 4.4895 7.8469 106.0929 43.9149 0.0000 172.4779 139 S 5.0541 8.9577 112.8847 56.4856 67.0753 173.3210 140 V 4.5275 8.1112 119.7894 61.1743 33.7181 174.1921 141 E 4.5923 9.5706 129.1168 54.5932 31.5876 174.8547 142 L 4.9919 8.4718 127.1234 54.4093 42.8687 176.4343 143 T 4.1139 8.8074 123.4774 63.7498 69.5609 175.1067 144 D 4.3523 8.7423 121.2642 57.5017 41.0948 179.0219 145 L 3.9449 8.0044 119.9686 57.8768 42.1857 178.0281 146 G 3.7944 7.4969 105.6227 46.7967 0.0000 173.5763 147 E 4.3675 8.1010 120.4822 57.2093 29.4985 176.7729 148 E 4.7789 7.9527 113.8913 56.5768 30.4567 178.1640 149 R 4.5372 7.7643 116.4585 52.0407 30.5875 176.2411 150 Q 4.3186 7.9220 121.4314 56.8420 29.3735 173.0633 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 T 8.16 4.28 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 2 S 8.30 4.46 0.00 4.05 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 3 K 9.43 4.00 0.00 1.84 1.84 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 K 8.12 3.82 0.00 1.83 1.87 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.53 7.81 5 K 7.80 4.02 0.00 1.76 2.02 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.65 4.44 0.00 1.90 1.92 0.00 3.20 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 7 Q 8.04 4.17 0.00 1.82 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.97 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 8 R 7.55 4.06 0.00 1.79 1.90 0.00 3.36 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 9 G 9.01 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 10 S 8.11 4.17 0.00 3.97 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 11 R 7.92 4.14 0.00 1.97 2.09 0.00 3.21 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 12 T 7.61 4.31 4.32 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 1.32 0.00 0.00 13 H 8.41 4.79 0.00 3.23 3.37 0.00 5.70 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 14 G 8.38 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 15 G 8.41 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.90 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 17 S 8.59 4.20 0.00 3.88 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.78 4.47 0.00 3.31 3.38 0.00 5.57 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 19 K 7.65 4.04 0.00 1.75 1.82 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.32 7.81 20 N 7.59 4.35 0.00 2.81 2.60 0.00 0.00 6.97 6.94 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 21 R 7.44 4.34 0.00 1.76 1.88 0.00 3.16 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 22 R 7.35 4.59 0.00 1.73 1.07 0.00 3.24 0.00 0.00 3.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 23 G 8.45 4.03 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 0.00 0.00 0.00 24 A 8.68 4.14 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 25 G 8.11 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 26 H 8.08 4.48 0.00 3.09 3.47 0.00 5.90 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.93 4.44 0.00 1.89 1.89 0.00 3.33 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 28 G 8.55 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 29 G 8.33 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 30 R 8.58 3.99 0.00 1.91 1.82 0.00 3.39 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 31 G 8.28 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.58 4.72 0.00 2.73 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 33 A 7.54 4.09 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 34 G 8.95 3.75 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 0.00 0.00 0.00 35 R 7.93 4.03 0.00 1.62 1.90 0.00 3.00 0.00 0.00 3.26 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 36 D 7.86 5.08 0.00 2.74 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.81 4.35 0.00 1.75 1.41 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.34 1.51 7.81 38 H 9.75 4.65 0.00 3.32 3.47 0.00 5.46 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.35 4.77 0.00 1.92 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 2.23 2.08 0.00 40 F 8.36 4.93 0.00 3.24 3.23 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 41 H 6.59 3.59 0.00 2.90 3.02 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.81 4.26 0.00 2.79 2.85 0.00 0.00 6.87 8.16 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 43 H 7.65 4.93 0.00 3.30 3.19 0.00 5.85 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 44 E 8.65 4.18 0.00 1.98 1.90 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 2.33 2.31 0.00 45 P 0.00 4.44 0.00 2.19 2.10 0.00 3.79 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 2.01 2.02 0.00 46 L 8.03 4.13 0.00 1.66 1.64 0.91 0.92 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 47 G 7.97 4.29 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 0.00 48 K 8.02 4.64 0.00 1.75 1.74 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.40 7.81 49 S 8.44 4.41 0.00 3.79 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 50 G 9.13 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 51 F 8.41 4.98 0.00 3.14 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 52 K 8.28 4.24 0.00 1.67 1.61 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.21 1.34 7.81 53 R 8.01 4.47 0.00 1.74 1.87 0.00 3.32 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.40 0.00 54 P 0.00 4.28 0.00 2.22 2.22 0.00 3.78 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 2.10 2.04 0.00 55 Q 8.94 3.88 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.04 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 56 K 7.95 4.46 0.00 1.86 1.89 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.42 7.81 57 V 8.02 4.31 2.19 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 0.85 0.00 0.00 0.95 0.00 0.00 58 Q 7.50 4.56 0.00 2.27 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.36 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 59 E 8.58 4.53 0.00 1.96 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 2.48 2.28 0.00 60 E 8.40 4.44 0.00 1.94 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 2.15 2.19 0.00 61 A 8.18 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 9.11 4.37 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 63 T 8.00 5.40 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 1.18 0.00 0.00 64 I 7.70 4.24 1.85 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 1.34 1.20 0.94 0.00 0.00 65 D 8.46 5.22 0.00 2.64 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 66 V 8.62 3.63 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 0.85 0.00 0.00 0.99 0.00 0.00 67 R 7.83 3.88 0.00 1.94 2.01 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 68 E 7.95 3.89 0.00 2.01 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 0.00 2.31 2.34 0.00 69 I 7.68 3.78 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 1.52 0.38 0.90 0.00 0.00 70 D 8.54 4.30 0.00 2.80 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 71 E 8.35 4.19 0.00 1.94 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 2.34 2.58 0.00 72 N 7.93 5.03 0.00 2.67 2.70 0.00 0.00 6.84 7.84 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 73 V 7.54 3.19 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 0.52 0.00 0.00 0.25 0.00 0.00 74 T 7.62 3.92 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 1.19 0.00 0.00 75 L 7.18 4.11 0.00 1.77 1.76 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.69 4.42 0.00 1.87 1.66 0.89 0.41 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 77 A 8.21 4.01 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 78 A 7.73 4.49 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 79 D 8.34 4.51 0.00 2.72 2.61 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 80 D 7.57 4.22 0.00 2.99 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 81 V 8.28 4.53 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 0.36 0.00 0.00 0.92 0.00 0.00 82 A 8.01 4.31 1.15 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 83 E 8.94 3.75 0.00 2.06 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 0.00 2.27 2.37 0.00 *89 F 7.76 4.53 0.00 3.04 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.78 5.07 0.00 1.82 1.81 0.00 3.22 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 91 V 8.61 4.50 2.13 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 0.77 0.00 0.00 0.95 0.00 0.00 92 D 8.71 4.78 0.00 2.73 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 93 V 8.53 3.60 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 0.86 0.00 0.00 0.99 0.00 0.00 94 R 7.66 3.41 0.00 2.04 2.02 0.00 3.22 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 95 D 8.20 4.64 0.00 2.76 2.71 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 96 V 8.20 3.95 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 0.80 0.00 0.00 0.94 0.00 0.00 97 V 7.27 3.60 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 0.87 0.00 0.00 0.97 0.00 0.00 98 E 8.58 4.20 0.00 2.05 1.83 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 2.38 2.31 0.00 99 E 9.04 4.27 0.00 2.17 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 2.26 2.23 0.00 100 A 7.51 4.48 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 0.00 101 D 7.97 4.76 0.00 2.62 2.66 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 0.00 102 D 8.00 4.54 0.00 2.80 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 0.00 103 A 7.55 4.84 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 0.00 104 D 8.61 4.44 0.00 2.58 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 0.00 105 Y 6.46 4.73 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 9.13 4.78 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 0.90 0.00 0.00 0.93 0.00 0.00 107 K 9.30 4.90 0.00 2.03 1.64 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.54 7.81 108 V 8.32 4.62 1.80 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 1.00 0.00 0.00 0.77 0.00 0.00 109 L 9.27 4.79 0.00 1.76 1.56 0.92 0.93 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 0.00 110 G 8.19 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.13 4.57 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 0.00 112 G 8.95 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 0.00 0.00 0.00 113 Q 8.10 4.46 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 114 V 7.94 4.24 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 0.94 0.00 0.00 0.95 0.00 0.00 115 R 8.65 4.53 0.00 1.54 1.78 0.00 3.13 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 116 H 7.68 5.18 0.00 3.00 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.83 4.90 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 118 L 8.60 5.11 0.00 1.63 1.62 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.76 4.91 4.29 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 1.23 0.00 0.00 120 L 8.75 5.19 0.00 1.81 1.90 1.08 0.66 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 0.00 121 I 8.61 5.73 1.94 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 1.18 0.45 0.98 0.00 0.00 122 A 8.59 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.67 4.43 0.00 2.85 2.60 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 0.00 124 D 7.09 4.56 0.00 2.47 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 0.00 0.00 0.00 125 F 9.06 5.67 0.00 2.84 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.64 4.75 0.00 3.93 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 0.00 127 E 9.18 4.05 0.00 2.05 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 0.00 2.42 2.42 0.00 128 G 8.29 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 0.00 129 A 7.85 4.07 1.57 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 0.00 0.00 130 R 8.11 3.76 0.00 2.02 1.92 0.00 3.15 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.63 0.00 131 E 8.38 3.94 0.00 2.00 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 2.34 2.53 0.00 132 K 8.01 3.96 0.00 2.01 1.87 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.70 7.81 133 V 8.00 3.62 2.13 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 1.08 0.00 0.00 1.04 0.00 0.00 134 E 7.98 4.78 0.00 2.02 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 2.38 2.33 0.00 135 G 8.39 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.75 4.60 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.37 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.85 4.49 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 0.00 139 S 8.96 5.05 0.00 3.79 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 0.00 140 V 8.11 4.53 1.64 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 -0.92 0.00 0.00 0.42 0.00 0.00 141 E 9.57 4.59 0.00 1.92 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 2.23 2.21 0.00 142 L 8.47 4.99 0.00 1.68 1.62 1.25 1.08 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 0.00 143 T 8.81 4.11 4.35 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 1.26 0.00 0.00 144 D 8.74 4.35 0.00 2.71 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 0.00 145 L 8.00 3.94 0.00 1.61 1.85 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.50 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 0.00 0.00 0.00 147 E 8.10 4.37 0.00 2.06 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 2.35 2.46 0.00 148 E 7.95 4.78 0.00 1.83 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 2.17 2.55 0.00 149 R 7.76 4.54 0.00 1.74 1.83 0.00 3.33 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.70 0.00 150 Q 7.92 4.32 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.