NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.3800 8.3344 115.4082 57.6505 64.5365 173.0059 13 N 4.0759 8.6563 117.1036 53.4333 40.3057 172.9660 14 P 4.2449 0.0000 0.0000 66.0227 31.9554 178.6228 15 I 3.7061 8.2004 118.3725 64.4465 36.9972 178.4436 16 Q 3.8893 8.3727 118.0699 59.1588 28.7204 178.8949 17 A 3.9675 8.2866 121.8310 54.9023 18.3084 179.3934 18 E 3.8748 8.1052 118.1633 59.3634 29.6754 179.2128 19 V 3.6170 8.3998 118.6187 66.0647 31.7613 177.9342 20 L 4.0924 8.2475 119.1769 57.5698 41.0037 179.4428 21 K 3.9538 8.0146 119.3866 59.6447 32.0686 178.4392 22 R 3.9259 8.0012 118.8471 59.7278 30.1081 178.2303 23 V 3.6342 8.3673 117.8288 66.1767 31.3286 177.9696 24 A 3.8316 8.1027 120.1465 55.2031 18.3312 179.5415 25 E 4.0041 7.9646 115.5546 59.3442 29.4030 179.2438 26 V 3.2805 7.5747 119.4826 66.1490 31.3977 178.0544 27 F 3.9427 8.2853 116.1075 60.5224 38.8852 177.0931 28 D 4.5711 8.5372 117.1763 57.0081 41.4257 176.8256 29 Q 4.4932 8.5297 114.7969 56.6996 32.6040 175.8491 30 H 4.4276 8.6582 113.1390 55.7586 28.8305 175.0452 31 V 4.1294 7.2391 119.9758 60.2406 32.5353 174.0516 32 P 4.2366 0.0000 0.0000 66.0403 31.2787 178.3624 33 F 4.4018 8.2452 118.4025 61.5935 39.1848 176.6978 34 H 4.2012 8.2339 116.0510 58.7175 28.2413 177.2478 35 N 4.3003 8.0383 117.7225 56.3885 38.9421 176.2680 36 L 4.0389 7.7085 121.2433 57.8056 42.2485 178.3550 37 L 4.1952 7.4014 117.1469 54.8271 41.8386 177.8499 38 G 3.8379 8.0936 106.4403 45.0562 0.0000 172.7691 39 L 4.1302 7.6408 121.6353 54.8671 42.5936 175.8837 40 D 5.0787 9.1054 125.8112 52.7416 44.7587 175.5290 41 I 4.3421 8.6107 124.0106 59.7215 35.7284 175.2122 42 K 4.1931 8.4634 128.9965 59.3194 32.9198 176.6752 43 R 4.7112 7.8107 113.2415 55.6282 32.6567 174.0694 44 Y 4.8536 8.4000 122.6039 57.4558 41.1370 172.5847 45 D 4.7653 8.4467 126.8764 52.0530 44.5371 175.6317 46 I 3.6796 8.0486 118.3202 63.1562 38.0278 176.6256 47 D 4.5246 8.0607 118.8719 54.9008 42.0193 177.5098 48 G 3.9073 6.1612 106.4381 45.6273 0.0000 171.1632 49 V 5.1518 7.7156 121.6392 60.5583 35.2988 175.1082 50 E 4.7024 8.9685 121.8958 55.3088 32.5567 174.0364 51 V 4.6904 9.0205 127.6775 61.5760 34.2982 174.2953 52 A 5.2838 8.8290 125.7023 50.8225 23.3323 175.1290 53 I 4.5986 8.6615 119.4991 59.5961 41.4954 173.3636 54 N 5.2490 9.0283 134.4689 52.4519 38.0095 175.0647 *56 K 4.1579 8.3456 123.9698 56.8349 33.8926 175.0366 57 P 4.2711 0.0000 0.0000 66.0102 31.3046 178.6430 58 E 4.0916 8.1406 115.5021 58.3935 29.6810 177.3250 59 L 4.4704 7.7952 117.8560 54.4808 42.2655 176.4852 60 I 4.3283 7.4315 121.0764 61.3421 37.4544 175.7937 61 G 3.7407 8.8480 114.9262 46.7959 0.0000 173.4642 62 N 4.8014 7.6570 123.6507 50.7811 40.0830 175.3636 63 I 3.7367 8.3890 127.9292 64.7321 37.3742 177.7800 64 H 4.4544 7.9461 118.3032 58.0410 29.6038 175.2172 65 Q 4.4029 7.8116 114.6098 54.9984 30.8832 174.7262 66 Q 3.3669 7.5721 116.0031 57.2455 27.1352 173.4634 67 I 4.8002 7.1282 116.3151 59.0101 40.8401 176.3252 68 L 4.2915 8.4750 127.7542 55.4268 42.7130 176.2290 69 H 4.1861 9.1309 126.7735 55.8515 30.4715 176.2668 70 G 3.9356 8.9699 112.6532 48.2062 0.0000 175.7189 71 G 3.7976 8.4317 107.1649 47.6011 0.0000 175.9337 72 V 3.5965 8.1795 120.8368 66.1744 31.6071 177.9093 73 T 3.7934 8.0369 114.8179 66.9225 68.3259 175.9829 74 A 4.0227 8.2398 122.1833 55.4597 18.4139 179.7348 75 T 3.8982 7.9848 114.1325 66.9098 68.6168 176.9554 76 V 3.5979 8.0568 120.2298 65.9720 31.4555 177.9881 77 L 4.0074 8.0732 118.7020 57.9053 41.5050 178.9792 78 D 4.4863 8.2006 117.9640 57.3666 41.1292 178.5555 79 V 3.6916 7.8856 118.6829 66.0515 31.5359 177.9902 80 V 3.6220 7.9996 118.2026 66.0294 31.1801 178.2249 81 G 4.2281 7.8536 106.9696 47.3246 0.0000 175.9500 82 G 3.0399 7.8601 108.4410 47.1839 0.0000 175.8380 83 L 3.7211 7.7946 121.4779 57.5970 41.5115 179.7406 84 T 3.8543 8.0564 115.6969 66.4270 68.4884 176.4754 85 A 3.9332 7.9123 122.8013 55.2405 18.4469 179.4092 86 F 4.0505 8.3573 118.9434 61.2981 39.4130 177.0428 87 A 3.8711 8.4475 120.7093 55.2256 17.9792 179.8455 88 G 3.5845 7.9238 102.8113 47.8242 0.0000 175.3114 89 L 4.1201 7.6025 122.3203 57.7342 41.8166 179.1612 90 V 2.8540 7.0746 117.2917 65.6125 31.5838 177.3799 91 A 4.2352 7.5892 117.1852 53.0956 18.2827 178.9713 92 S 4.2389 7.9521 112.2873 60.1104 62.9262 174.0897 93 R 4.6136 7.8957 117.8333 54.4589 32.6274 175.2123 94 D 5.0027 8.4461 117.8679 53.2115 39.6722 175.9488 95 D 4.8945 7.4159 117.8516 52.9498 40.0095 175.7598 96 W 4.3208 8.3858 118.9927 58.0134 30.0424 175.5853 97 T 4.6664 8.4706 111.3102 59.7941 69.9837 175.3208 98 I 3.7060 8.5592 124.1059 64.5297 37.7000 177.6394 99 E 4.0227 8.1875 119.6431 58.7998 29.6782 177.9389 100 E 4.0304 8.4358 119.6057 59.6055 29.8645 179.0279 101 L 3.9212 8.0156 118.2819 57.4744 41.3150 179.5631 102 Q 4.0951 7.5652 117.3629 58.7605 28.7074 177.8904 103 Q 4.1444 8.1634 120.8092 59.1055 29.0179 178.4626 104 R 4.0270 8.0505 118.9940 59.3216 29.7207 178.7276 105 L 3.5135 8.0967 120.0191 58.0709 41.6776 178.7092 106 Q 4.0741 7.6837 118.6251 58.1726 29.0912 176.4316 107 T 4.3408 7.8280 108.4312 61.3487 69.8570 174.8823 108 L 4.0208 7.2828 124.1171 55.6447 42.4011 176.1688 109 G 4.1053 8.2117 111.5762 45.5428 0.0000 172.1597 110 T 4.2182 8.5810 117.3727 62.6920 69.6677 174.9893 111 I 4.0662 8.4475 128.2606 63.1026 38.1288 175.0985 112 D 4.4873 7.0524 116.7826 52.2302 42.9366 172.9495 *114 R 4.3604 8.4278 117.0971 56.5246 31.4638 174.6912 115 V 4.7040 8.4275 125.0703 61.0908 34.3273 174.0267 116 D 4.9198 8.7747 127.4711 52.7239 43.3728 174.7822 117 Y 4.3781 8.7357 122.2071 57.5836 38.1124 175.0991 118 L 4.4957 8.6349 124.7203 56.1476 43.1109 177.4360 119 R 4.7155 7.6108 114.0573 53.6192 34.2543 172.8518 120 P 4.4128 0.0000 0.0000 62.4824 32.3761 176.4734 121 G 3.8202 8.6465 111.2452 46.1983 0.0000 172.7327 122 R 5.2173 9.1279 123.8061 54.6159 34.5966 174.4472 123 G 3.6770 8.9624 105.8787 44.9552 0.0000 173.6864 124 Q 4.1644 9.3123 116.9355 57.3135 29.2373 176.4569 125 I 4.7296 7.1177 116.1464 59.2635 41.2242 174.9581 126 F 5.1099 9.0088 123.9399 56.0012 42.1975 174.3388 127 T 5.0591 9.0217 119.8215 61.6589 71.8457 173.3463 128 G 4.6322 9.4208 112.5028 44.7797 0.0000 171.6853 129 T 5.2138 8.7806 112.5491 60.6731 72.6258 172.3805 130 G 4.3145 8.3084 107.8598 46.3135 0.0000 171.9602 131 S 4.7810 8.7164 112.4361 57.1831 66.6213 174.2195 132 V 4.2493 8.3648 121.8546 62.6188 31.9537 175.6430 133 I 4.3033 8.3898 120.2735 61.4121 39.5990 175.7252 134 R 4.4806 7.7637 122.5751 54.7353 32.4792 173.7395 135 A 4.7001 8.7161 128.6331 51.7112 19.7169 176.3468 136 G 4.3758 8.1123 107.1865 45.3461 0.0000 173.1631 137 N 4.6039 8.7817 118.4180 55.4143 39.4690 175.8333 138 R 4.7975 8.0442 114.9708 56.0922 32.3660 177.1129 139 V 4.8454 7.6835 117.1436 61.2102 35.2317 174.5778 140 S 5.1634 9.3623 122.2228 56.7736 67.4816 172.9122 141 V 4.9586 8.6833 122.2082 61.5134 34.1453 174.2713 142 C 5.4182 9.7657 124.1818 58.2862 33.0453 173.0346 143 R 5.1607 8.5984 119.3209 53.4923 33.7751 174.3703 *145 E 4.7559 8.4028 119.1377 56.4247 31.3007 174.0957 146 L 5.4794 8.7798 127.0626 53.5979 45.5031 174.8108 147 H 5.5871 9.2705 120.8198 53.9233 32.9230 172.8847 148 N 5.1408 8.9115 117.9578 51.6370 38.6246 175.6908 149 E 4.0628 8.3871 115.2232 58.5491 29.6829 177.4054 150 Q 4.2863 8.2061 117.5123 55.5161 28.8874 176.5426 151 G 3.8809 8.0859 106.6829 45.5461 0.0000 174.1585 152 T 4.2768 7.9435 110.4775 60.4560 70.1995 173.9186 153 H 4.9819 8.3897 121.2322 56.0983 29.5003 175.4745 154 I 4.1652 9.0285 126.0062 63.8029 38.5441 175.6616 155 A 4.7092 7.4008 120.2783 51.0874 22.3996 175.2434 156 F 5.5850 8.6494 117.7032 55.8912 42.9468 174.8658 157 G 4.5429 8.5288 106.2985 45.1389 0.0000 171.4735 158 T 4.9914 8.8540 117.5747 61.5754 72.1603 173.8990 159 G 4.1189 9.7180 112.6289 44.7197 0.0000 171.2069 160 T 4.9959 8.2539 119.2841 61.2194 70.7567 171.8312 161 Y 5.4945 9.2779 126.0645 56.8508 41.8547 178.0590 *163 V 4.1183 8.5658 122.1787 60.5519 33.1948 175.5434 164 G 3.7662 8.0541 115.4295 46.3730 0.0000 172.6852 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 12 S 8.33 4.38 0.00 3.96 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 13 N 8.66 4.08 0.00 2.85 2.98 0.00 0.00 6.91 6.82 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 14 P 0.00 4.24 0.00 2.20 2.10 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 15 I 8.20 3.71 2.03 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 1.56 0.73 1.01 0.00 0.00 16 Q 8.37 3.89 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.49 2.64 0.00 17 A 8.29 3.97 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 18 E 8.11 3.87 0.00 2.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 19 V 8.40 3.62 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 1.16 0.00 0.00 1.03 0.00 0.00 20 L 8.25 4.09 0.00 1.60 1.46 0.64 0.02 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 21 K 8.01 3.95 0.00 2.03 2.05 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 22 R 8.00 3.93 0.00 2.01 2.16 0.00 3.33 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 23 V 8.37 3.63 2.33 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 0.79 0.00 0.00 1.18 0.00 0.00 24 A 8.10 3.83 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.96 4.00 0.00 2.26 2.27 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 2.53 2.26 0.00 26 V 7.57 3.28 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.95 0.00 0.00 27 F 8.29 3.94 0.00 2.90 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 28 D 8.54 4.57 0.00 2.74 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 29 Q 8.53 4.49 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 30 H 8.66 4.43 0.00 3.09 3.29 0.00 5.79 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.24 4.13 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 0.69 0.00 0.00 0.54 0.00 0.00 32 P 0.00 4.24 0.00 2.22 2.12 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 33 F 8.25 4.40 0.00 3.02 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 34 H 8.23 4.20 0.00 3.41 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.04 4.30 0.00 2.71 3.00 0.00 0.00 6.90 7.78 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 36 L 7.71 4.04 0.00 1.68 1.74 0.93 1.24 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 37 L 7.40 4.20 0.00 1.39 1.50 0.26 0.58 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 38 G 8.09 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 0.00 0.00 0.00 39 L 7.64 4.13 0.00 1.56 1.49 0.78 1.03 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 40 D 9.11 5.08 0.00 2.70 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.61 4.34 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.89 0.78 0.00 0.00 42 K 8.46 4.19 0.00 1.72 2.00 0.00 1.85 0.00 0.00 1.93 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.42 7.81 43 R 7.81 4.71 0.00 1.92 1.99 0.00 3.05 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 44 Y 8.40 4.85 0.00 2.78 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 45 D 8.45 4.77 0.00 2.66 2.39 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 46 I 8.05 3.68 1.76 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 1.35 0.71 0.84 0.00 0.00 47 D 8.06 4.52 0.00 2.67 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 48 G 6.16 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 49 V 7.72 5.15 2.35 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 0.72 0.00 0.00 0.90 0.00 0.00 50 E 8.97 4.70 0.00 2.09 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 2.22 2.28 0.00 51 V 9.02 4.69 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 0.89 0.00 0.00 0.88 0.00 0.00 52 A 8.83 5.28 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 53 I 8.66 4.60 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.37 1.08 0.00 0.00 54 N 9.03 5.25 0.00 2.76 2.56 0.00 0.00 7.26 7.61 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 *56 K 8.35 4.16 0.00 1.97 1.99 0.00 1.52 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.48 7.81 57 P 0.00 4.27 0.00 2.20 2.17 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 58 E 8.14 4.09 0.00 1.93 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 2.39 0.00 59 L 7.80 4.47 0.00 1.77 1.69 1.03 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.43 4.33 2.02 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 1.26 0.37 0.96 0.00 0.00 61 G 8.85 3.74 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 0.00 0.00 0.00 62 N 7.66 4.80 0.00 2.70 2.70 0.00 0.00 7.02 7.98 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 63 I 8.39 3.74 1.89 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 0.86 0.93 0.00 0.00 64 H 7.95 4.45 0.00 3.01 3.55 0.00 5.89 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 65 Q 7.81 4.40 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.42 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 66 Q 7.57 3.37 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.67 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 67 I 7.13 4.80 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.94 0.97 0.00 0.00 68 L 8.48 4.29 0.00 1.54 1.35 0.89 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 69 H 9.13 4.19 0.00 3.42 3.15 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.97 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 71 G 8.43 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.18 3.60 2.14 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 1.06 0.00 0.00 0.96 0.00 0.00 73 T 8.04 3.79 4.56 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 1.10 0.00 0.00 74 A 8.24 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.98 3.90 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 76 V 8.06 3.60 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 1.04 0.00 0.00 1.00 0.00 0.00 77 L 8.07 4.01 0.00 1.90 1.74 0.83 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 78 D 8.20 4.49 0.00 2.96 2.93 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 79 V 7.89 3.69 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 1.05 0.00 0.00 1.10 0.00 0.00 80 V 8.00 3.62 2.27 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 1.01 0.00 0.00 0.99 0.00 0.00 81 G 7.85 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 82 G 7.86 3.04 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 83 L 7.79 3.72 0.00 1.64 1.34 0.36 -1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.06 3.85 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 1.17 0.00 0.00 85 A 7.91 3.93 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 86 F 8.36 4.05 0.00 3.13 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 87 A 8.45 3.87 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 88 G 7.92 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.60 4.12 0.00 1.71 1.40 1.06 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.07 2.85 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 0.64 0.00 0.00 0.27 0.00 0.00 91 A 7.59 4.24 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 92 S 7.95 4.24 0.00 4.11 4.48 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 4.61 0.00 0.67 1.41 0.00 2.21 0.00 0.00 2.52 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.28 0.00 94 D 8.45 5.00 0.00 2.75 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 95 D 7.42 4.89 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 96 W 8.39 4.32 0.00 3.26 3.12 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 97 T 8.47 4.67 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 1.26 0.00 0.00 98 I 8.56 3.71 1.91 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 1.56 1.35 0.95 0.00 0.00 99 E 8.19 4.02 0.00 2.12 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 2.42 2.40 0.00 100 E 8.44 4.03 0.00 2.47 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.65 0.00 101 L 8.02 3.92 0.00 1.72 1.63 0.56 -0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.57 4.10 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.97 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 103 Q 8.16 4.14 0.00 2.24 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 104 R 8.05 4.03 0.00 2.23 2.16 0.00 3.73 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.71 0.00 105 L 8.10 3.51 0.00 1.71 1.71 -0.12 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.68 4.07 0.00 2.07 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 107 T 7.83 4.34 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 1.33 0.00 0.00 108 L 7.28 4.02 0.00 1.59 1.71 1.03 0.92 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 0.00 109 G 8.21 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 0.00 110 T 8.58 4.22 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 0.95 0.00 0.00 111 I 8.45 4.07 1.90 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 1.34 0.50 0.88 0.00 0.00 112 D 7.05 4.49 0.00 2.69 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 *114 R 8.43 4.36 0.00 1.94 1.88 0.00 3.12 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 115 V 8.43 4.70 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 0.00 0.00 0.88 0.00 0.00 116 D 8.77 4.92 0.00 2.64 2.57 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 0.00 117 Y 8.74 4.38 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 0.00 118 L 8.63 4.50 0.00 1.54 1.59 0.11 0.55 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 0.00 119 R 7.61 4.72 0.00 1.74 1.78 0.00 3.21 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 120 P 0.00 4.41 0.00 1.95 1.98 0.00 3.68 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 2.09 0.00 121 G 8.65 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 0.00 122 R 9.13 5.22 0.00 1.73 1.86 0.00 3.21 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 123 G 8.96 3.68 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 0.00 0.00 0.00 124 Q 9.31 4.16 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 125 I 7.12 4.73 1.74 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.50 0.86 0.00 0.00 126 F 9.01 5.11 0.00 2.96 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 T 9.02 5.06 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 1.32 0.00 0.00 128 G 9.42 4.63 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 0.00 129 T 8.78 5.21 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 1.30 0.00 0.00 130 G 8.31 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 0.00 0.00 0.00 0.00 131 S 8.72 4.78 0.00 3.86 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 0.00 132 V 8.36 4.25 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 0.94 0.00 0.00 0.93 0.00 0.00 133 I 8.39 4.30 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.81 0.89 0.00 0.00 134 R 7.76 4.48 0.00 1.87 1.81 0.00 3.18 0.00 0.00 3.36 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 135 A 8.72 4.70 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 0.00 136 G 8.11 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.78 4.60 0.00 2.73 2.90 0.00 0.00 6.88 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.04 4.80 0.00 1.75 1.98 0.00 3.28 0.00 0.00 3.90 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.47 0.00 139 V 7.68 4.85 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 1.08 0.00 0.00 0.97 0.00 0.00 140 S 9.36 5.16 0.00 3.86 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 0.00 141 V 8.68 4.96 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 1.06 0.00 0.00 0.96 0.00 0.00 142 C 9.77 5.42 0.00 2.99 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 0.00 143 R 8.60 5.16 0.00 1.67 1.73 0.00 3.07 0.00 0.00 3.01 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.32 0.00 *145 E 8.40 4.76 0.00 2.24 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 2.46 2.41 0.00 146 L 8.78 5.48 0.00 1.78 1.43 0.97 0.53 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 0.00 147 H 9.27 5.59 0.00 3.35 3.47 0.00 5.31 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 8.91 5.14 0.00 2.97 3.28 0.00 0.00 7.05 7.17 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 0.00 149 E 8.39 4.06 0.00 2.03 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 2.13 2.26 0.00 150 Q 8.21 4.29 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.79 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 151 G 8.09 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 0.00 0.00 0.00 152 T 7.94 4.28 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 0.00 153 H 8.39 4.98 0.00 2.96 2.91 0.00 5.71 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 9.03 4.17 2.01 0.00 0.00 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 1.21 0.88 0.84 0.00 0.00 155 A 7.40 4.71 0.99 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 0.00 156 F 8.65 5.59 0.00 2.92 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 0.00 157 G 8.53 4.54 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 0.00 0.00 0.00 158 T 8.85 4.99 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 0.00 159 G 9.72 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 0.00 160 T 8.25 5.00 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 1.19 0.00 0.00 161 Y 9.28 5.49 0.00 2.87 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 *163 V 8.57 4.12 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 0.80 0.00 0.00 1.12 0.00 0.00 164 G 8.05 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.