NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.7174 8.4201 119.2047 53.7716 40.1185 173.8827 0 A 4.5922 7.7231 132.8046 49.8796 17.5492 178.4391 2 K 4.3644 8.8208 120.6465 58.3768 37.1057 170.2667 3 I 5.0018 8.6064 126.3732 59.5526 40.0623 174.8976 4 I 4.5465 8.6453 126.8296 59.4252 40.7855 174.3508 5 F 5.1499 8.4765 125.5532 56.4830 40.7469 174.7358 6 S 4.6746 8.3503 117.1643 58.1504 66.5600 176.9819 7 A 4.7363 8.6445 120.8166 52.0589 19.2555 177.9417 8 S 4.3617 7.7026 113.9659 58.6472 65.0392 173.0362 9 P 4.0987 0.0000 0.0000 66.0203 31.1149 178.7508 10 A 3.9167 7.8473 118.5105 55.2741 18.4824 179.0856 11 N 4.4280 7.9720 116.5464 56.1468 39.0164 176.9718 12 R 3.3474 8.3994 120.4291 59.0959 30.0520 178.3658 13 A 3.6475 7.8404 120.1717 54.9493 18.4004 179.2018 14 A 3.8622 7.8406 119.0978 55.4545 18.4596 179.7800 15 A 3.9012 7.7197 118.9050 55.5621 18.3653 179.5190 16 Y 4.3946 8.0980 115.1130 61.1451 37.9987 178.6207 17 A 4.0434 8.2872 121.8436 55.0616 18.4983 179.6157 18 L 3.9166 7.8742 117.4599 58.2063 41.7625 180.1158 19 R 4.1108 8.1106 117.8220 59.2292 29.9800 178.9280 20 Q 4.2283 8.8736 119.7432 59.1872 29.1323 178.2464 21 A 3.9860 8.0113 121.5493 54.9756 18.1283 179.6941 22 V 3.5813 7.6730 116.6342 65.9365 31.7664 178.3774 23 F 4.3090 7.8820 117.2385 60.5055 38.5578 178.1792 24 V 4.1203 7.6703 118.5234 65.5186 31.3950 177.7201 25 E 4.0527 7.9357 116.6903 59.2944 29.7093 178.4723 26 E 4.1131 7.9888 117.8204 58.3304 29.8522 177.8987 27 R 4.5861 7.5591 114.3428 54.9074 31.1489 176.6015 28 G 3.9346 7.7200 106.2766 46.1125 0.0000 174.0628 29 I 3.9493 7.6539 120.8002 60.2197 37.9501 175.7755 30 S 4.3038 8.5857 118.6486 58.3412 63.0199 175.1256 31 A 4.1491 8.6996 130.0369 55.3542 18.4070 178.7306 32 D 4.6189 8.0491 113.3205 55.8725 41.4721 177.5824 33 V 3.8190 7.5836 118.6716 65.2182 32.1938 176.5564 34 E 3.6002 8.1120 119.1335 58.6145 29.4313 176.6803 35 F 4.7006 7.7060 117.1699 55.9122 40.0419 174.7734 36 D 4.9958 8.7941 124.7583 51.1099 42.4156 176.5216 37 V 3.6627 8.3681 117.4453 64.5790 31.2045 177.4386 38 K 4.1795 7.9687 118.6580 58.3594 32.1210 177.6508 39 D 4.9266 8.4107 119.7220 52.4628 39.2274 175.2053 40 T 4.7474 7.6968 113.8124 59.1404 71.8230 175.8719 41 D 4.5229 8.6688 120.3996 56.9408 40.7910 177.6638 42 Q 4.3670 7.7561 115.9375 56.3790 29.4142 175.3700 43 C 4.3049 7.7961 119.2887 59.1683 32.4797 172.5474 44 E 4.7724 8.5229 125.1082 55.4118 30.9856 174.5840 45 Y 5.0171 8.7312 120.1680 56.1031 42.3745 174.2265 46 A 4.7221 8.9551 124.4049 50.3520 21.2695 176.1540 47 V 4.5669 8.3359 122.4588 60.8651 35.0991 173.8200 48 L 4.8188 8.3657 129.9084 53.7957 43.5399 174.3564 49 Y 4.7998 9.3033 124.8605 56.3832 39.9643 177.0698 50 L 3.8293 8.2704 124.6060 56.9191 42.3033 176.8660 51 Q 4.8330 7.4373 115.0004 53.0697 32.6972 174.3095 52 P 4.0937 0.0000 0.0000 64.9246 31.3665 177.3609 53 D 4.9078 7.9709 115.7410 52.7625 39.9464 176.9163 54 L 4.6274 7.8508 122.1420 52.9987 42.0613 173.0681 55 P 4.2542 0.0000 0.0000 62.0647 32.5309 177.1071 56 I 4.2719 8.1590 112.9157 60.9961 40.1364 174.8156 57 T 5.0326 7.3257 115.6485 61.1876 71.1825 172.1211 58 T 5.2514 8.7271 119.7427 61.0800 71.4639 172.1249 59 L 5.3583 8.8967 124.8676 54.5373 44.7065 174.3061 60 R 4.8311 9.7024 121.6755 54.7532 32.1732 174.9440 61 L 4.4539 8.1009 126.7087 54.3503 42.2443 177.0974 62 E 4.6705 8.5696 124.6147 52.8180 29.4735 173.4021 63 P 3.9899 0.0000 0.0000 62.8664 32.0711 176.5428 64 Q 4.6326 8.5274 119.7150 53.4475 31.6100 174.9459 65 A 4.1282 8.2084 121.0722 53.0799 18.8647 176.4274 66 D 4.0174 9.0860 115.3988 55.8598 39.5833 173.5282 67 H 3.9403 8.0506 110.0105 56.4184 26.2203 175.1971 68 V 4.9868 7.1925 120.1413 60.5671 33.8289 173.6308 *70 R 4.2512 8.1523 118.0737 56.3759 31.3213 174.7899 71 F 5.1840 8.5176 125.3898 56.3192 40.2336 175.1793 72 G 4.1273 8.9460 111.8231 44.5425 0.0000 171.6066 73 R 3.7842 8.1983 114.9596 56.9102 27.4488 176.9762 74 V 4.4925 7.5907 117.1763 62.5893 32.9189 175.5246 75 C 4.7235 8.5878 120.7230 57.9354 33.2561 172.8259 76 T 5.0860 8.0802 115.5131 61.3417 72.0657 173.9679 77 R 3.8305 9.1855 126.3973 56.8278 30.7458 177.0596 78 K 3.7922 9.1057 126.9399 59.6743 32.2552 178.4493 79 A 4.0029 8.0465 118.8442 54.1942 18.3538 177.2176 80 Y 4.7328 7.8906 111.8548 57.5417 38.6626 176.3696 81 R 4.0832 7.6436 119.9788 57.4644 30.5803 176.6910 82 G 3.8080 8.9169 108.3614 46.7129 0.0000 173.5023 83 H 4.6774 8.1382 112.9193 54.9208 29.8933 174.8526 84 G 3.8779 8.2709 107.1773 45.9242 0.0000 175.9766 85 W 4.4592 8.0085 120.8765 59.6828 29.1041 178.2290 86 G 3.7996 8.3700 105.2521 48.0797 0.0000 175.4354 87 R 4.0172 8.1082 120.5261 59.0776 30.2265 178.1815 88 Q 3.9958 8.2284 119.4722 59.0490 29.0094 177.9594 89 L 3.9526 8.2559 121.5135 58.1300 42.0815 178.6870 90 L 3.7919 8.0484 120.1232 58.5396 41.6756 178.8837 91 T 3.8668 8.0636 115.4026 66.8044 68.3886 176.3998 92 A 4.2406 8.2082 122.2929 55.0602 18.4225 179.5787 93 A 4.2091 8.5308 119.8163 55.2267 18.4313 179.6244 94 E 4.2046 8.4619 117.4460 59.7803 29.7336 179.2391 95 E 4.0049 7.9984 117.9678 58.9609 29.4822 178.4904 96 W 3.9841 8.1397 127.2229 60.4126 30.9449 177.5250 97 A 4.2014 8.5927 120.9604 55.4465 17.9211 179.6937 98 T 4.2020 8.0991 109.6834 64.6272 68.4814 176.6366 99 Q 4.0552 7.8840 119.4482 57.7726 28.6171 177.8282 100 R 4.4392 7.5423 117.3605 55.4781 30.5398 176.8480 101 G 3.7512 7.7687 106.0924 45.5759 0.0000 173.9606 102 F 4.5896 7.9923 118.3806 56.8338 40.0839 176.0707 103 T 4.5980 8.9418 113.2547 61.9343 70.8124 173.4791 104 H 5.3507 8.1962 119.3599 54.1183 33.3821 172.7915 105 G 4.4121 9.0938 109.8973 45.6054 0.0000 172.2383 106 E 5.1913 8.6112 121.5644 54.3820 33.3218 173.9880 107 I 4.6419 8.3530 126.2450 59.9757 40.6916 175.5271 108 H 4.8891 8.9024 124.4852 54.3014 28.0241 174.2683 109 G 4.1370 8.4355 110.3546 44.2511 0.0000 170.3866 110 E 4.6585 8.6338 119.6750 55.6650 30.5091 178.0246 111 L 3.9389 8.5317 124.2214 58.8614 41.8571 179.5123 112 T 3.9903 8.0172 110.5631 64.0245 67.6853 174.5027 113 A 4.5526 7.9575 121.5528 52.0131 19.2979 177.9954 114 Q 4.0612 8.0560 120.7811 59.7904 29.0506 178.8751 115 R 3.9221 8.0452 118.8400 59.2709 29.9335 177.6259 116 F 4.0251 8.3452 120.0251 61.9990 39.1824 176.8018 117 Y 4.0641 7.9339 115.3553 60.8274 37.5242 178.2406 118 E 4.5077 8.4049 121.1856 59.0136 29.3632 179.3006 119 L 3.9774 7.8952 117.9634 57.6467 41.7255 178.4840 120 C 4.4295 7.3817 113.9455 59.8699 28.3874 174.3443 121 G 3.9851 8.1592 109.5437 45.1276 0.0000 173.3990 122 Y 4.7768 8.4815 117.9137 57.3151 39.5818 174.7089 123 R 4.8778 8.7355 117.3188 54.0872 32.8347 175.2581 124 V 4.0664 8.6436 121.6528 63.6845 31.6144 175.6722 125 T 4.5322 9.0742 116.7154 61.4945 70.5107 173.8857 126 A 4.3751 7.8564 123.2512 52.4980 21.8605 176.4898 127 G 3.1433 8.2491 107.1558 43.2684 0.0000 171.4589 128 P 5.0919 0.0000 0.0000 62.4437 32.9639 176.7172 129 Y 4.9106 7.6307 117.8120 57.3456 37.9956 178.7613 130 D 4.9577 8.8963 128.3340 55.0319 44.0051 175.2159 131 E 4.5999 8.4580 120.8672 56.3614 32.5334 175.2858 132 D 4.3811 9.9168 119.0847 54.9019 38.8124 174.2488 133 G 4.0490 8.3808 105.0484 45.1866 0.0000 173.4977 134 A 4.8052 7.9891 120.6555 49.4241 23.5442 173.7891 135 P 4.8289 0.0000 0.0000 62.6457 32.7021 175.9413 136 V 4.9742 8.4694 122.8090 61.1936 35.5088 174.3050 137 V 4.7287 8.5825 117.7380 59.6889 35.6426 175.4212 138 I 4.4414 8.4273 124.9013 60.7786 39.3991 174.5362 *140 H 5.1968 8.4069 119.6606 56.1894 30.7194 172.3666 141 K 4.6492 8.4255 119.7445 54.9509 35.8062 174.7933 142 Q 4.2958 8.6609 128.7482 55.9724 29.7978 174.7672 143 L 4.5925 8.6348 127.3030 53.4941 43.1302 176.9126 144 L 4.3177 8.2412 122.3175 55.0206 42.6778 176.2679 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 N 8.42 4.72 0.00 2.67 2.85 0.00 0.00 6.92 7.08 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 A 7.72 4.59 0.98 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 0.00 0.00 2 K 8.82 4.36 0.00 1.79 1.58 0.00 1.49 0.00 0.00 1.49 0.00 0.00 2.78 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.17 1.24 7.81 3 I 8.61 5.00 1.87 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 1.29 0.80 0.48 0.00 0.00 4 I 8.65 4.55 2.15 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.72 0.98 0.00 0.00 5 F 8.48 5.15 0.00 2.78 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 6 S 8.35 4.67 0.00 3.98 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 7 A 8.64 4.74 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.70 4.36 0.00 4.08 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 9 P 0.00 4.10 0.00 2.14 2.14 0.00 3.59 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 2.11 2.18 0.00 10 A 7.85 3.92 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 11 N 7.97 4.43 0.00 2.93 2.86 0.00 0.00 6.37 6.99 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 12 R 8.40 3.35 0.00 1.97 1.72 0.00 3.24 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 0.75 1.18 0.00 13 A 7.84 3.65 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 14 A 7.84 3.86 1.33 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 0.00 0.00 0.00 15 A 7.72 3.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.10 4.39 0.00 3.00 2.84 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 17 A 8.29 4.04 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 18 L 7.87 3.92 0.00 1.86 1.69 0.77 0.93 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 19 R 8.11 4.11 0.00 2.14 2.25 0.00 3.30 0.00 0.00 3.41 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 20 Q 8.87 4.23 0.00 2.37 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 21 A 8.01 3.99 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 22 V 7.67 3.58 1.63 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 0.46 0.00 0.00 0.85 0.00 0.00 23 F 7.88 4.31 0.00 3.20 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 24 V 7.67 4.12 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 1.56 0.00 0.00 1.08 0.00 0.00 25 E 7.94 4.05 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 26 E 7.99 4.11 0.00 2.02 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 0.00 2.28 2.32 0.00 27 R 7.56 4.59 0.00 2.06 1.96 0.00 3.22 0.00 0.00 3.25 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 28 G 7.72 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 29 I 7.65 3.95 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.25 0.85 0.00 0.00 30 S 8.59 4.30 0.00 3.85 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 31 A 8.70 4.15 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 32 D 8.05 4.62 0.00 2.69 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 33 V 7.58 3.82 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 0.68 0.00 0.00 0.90 0.00 0.00 34 E 8.11 3.60 0.00 1.62 1.49 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 1.61 1.47 0.00 35 F 7.71 4.70 0.00 3.13 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 36 D 8.79 5.00 0.00 2.84 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 37 V 8.37 3.66 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 0.75 0.00 0.00 0.95 0.00 0.00 38 K 7.97 4.18 0.00 1.95 1.91 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.54 7.81 39 D 8.41 4.93 0.00 2.91 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 40 T 7.70 4.75 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 1.27 0.00 0.00 41 D 8.67 4.52 0.00 2.74 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 42 Q 7.76 4.37 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 43 C 7.80 4.30 0.00 3.13 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 44 E 8.52 4.77 0.00 1.92 1.79 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 2.42 2.38 0.00 45 Y 8.73 5.02 0.00 2.87 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 46 A 8.96 4.72 1.12 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 47 V 8.34 4.57 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 0.07 0.00 0.00 0.87 0.00 0.00 48 L 8.37 4.82 0.00 1.65 1.32 1.11 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 9.30 4.80 0.00 2.79 2.94 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 50 L 8.27 3.83 0.00 1.39 1.53 0.64 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 7.44 4.83 0.00 2.15 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 52 P 0.00 4.09 0.00 1.96 1.98 0.00 3.60 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 1.96 1.98 0.00 53 D 7.97 4.91 0.00 2.75 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 54 L 7.85 4.63 0.00 1.64 1.50 0.84 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.25 0.00 1.83 1.31 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.87 0.00 56 I 8.16 4.27 1.28 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.50 -0.07 0.00 0.00 57 T 7.33 5.03 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 58 T 8.73 5.25 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 1.24 0.00 0.00 59 L 8.90 5.36 0.00 2.04 1.78 1.15 0.64 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 60 R 9.70 4.83 0.00 1.97 1.97 0.00 3.13 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.23 0.00 61 L 8.10 4.45 0.00 1.61 1.56 0.51 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.57 4.67 0.00 1.79 1.76 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 2.15 2.32 0.00 63 P 0.00 3.99 0.00 2.24 2.07 0.00 3.40 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 64 Q 8.53 4.63 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 65 A 8.21 4.13 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 66 D 9.09 4.02 0.00 2.78 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 67 H 8.05 3.94 0.00 3.48 3.35 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.19 4.99 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 1.23 0.00 0.00 0.98 0.00 0.00 *70 R 8.15 4.25 0.00 1.97 1.86 0.00 3.26 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 71 F 8.52 5.18 0.00 3.00 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 72 G 8.95 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.20 3.78 0.00 1.99 2.02 0.00 3.09 0.00 0.00 2.92 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 74 V 7.59 4.49 2.24 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 0.92 0.00 0.00 1.07 0.00 0.00 75 C 8.59 4.72 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 5.09 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 1.33 0.00 0.00 77 R 9.19 3.83 0.00 1.80 1.91 0.00 3.31 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 78 K 9.11 3.79 0.00 1.80 1.79 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.42 7.81 79 A 8.05 4.00 1.03 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 80 Y 7.89 4.73 0.00 2.98 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 81 R 7.64 4.08 0.00 1.75 1.83 0.00 3.15 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 82 G 8.92 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 83 H 8.14 4.68 0.00 3.13 3.09 0.00 5.76 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 84 G 8.27 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 85 W 8.01 4.46 0.00 3.42 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.37 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 87 R 8.11 4.02 0.00 2.03 2.10 0.00 3.05 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 88 Q 8.23 4.00 0.00 2.42 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 89 L 8.26 3.95 0.00 1.83 1.87 0.78 0.78 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 90 L 8.05 3.79 0.00 1.83 1.83 0.45 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.06 3.87 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 1.25 0.00 0.00 92 A 8.21 4.24 1.59 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 93 A 8.53 4.21 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 94 E 8.46 4.20 0.00 2.24 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 0.00 2.56 2.42 0.00 95 E 8.00 4.00 0.00 2.20 2.20 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 2.39 2.44 0.00 96 W 8.14 3.98 0.00 2.78 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 97 A 8.59 4.20 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 98 T 8.10 4.20 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 1.31 0.00 0.00 99 Q 7.88 4.06 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.25 0.00 0.00 0.00 0.00 0.00 2.35 2.63 0.00 100 R 7.54 4.44 0.00 1.62 1.85 0.00 2.21 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.17 0.00 101 G 7.77 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 0.00 102 F 7.99 4.59 0.00 3.21 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 0.00 103 T 8.94 4.60 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 104 H 8.20 5.35 0.00 3.18 3.25 0.00 5.80 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 0.00 105 G 9.09 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.61 5.19 0.00 2.09 1.70 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 2.21 2.26 0.00 107 I 8.35 4.64 1.34 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.28 0.25 0.00 0.00 108 H 8.90 4.89 0.00 2.95 3.20 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.44 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.63 4.66 0.00 2.10 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 2.44 2.36 0.00 111 L 8.53 3.94 0.00 1.79 1.70 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 112 T 8.02 3.99 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 1.22 0.00 0.00 113 A 7.96 4.55 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.06 4.06 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 115 R 8.05 3.92 0.00 1.96 1.96 0.00 3.28 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 116 F 8.35 4.03 0.00 3.00 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 0.00 117 Y 7.93 4.06 0.00 3.15 2.87 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 0.00 118 E 8.40 4.51 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 119 L 7.90 3.98 0.00 1.64 1.63 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 120 C 7.38 4.43 0.00 3.23 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 0.00 121 G 8.16 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 8.48 4.78 0.00 3.13 2.97 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 0.00 123 R 8.74 4.88 0.00 1.80 1.90 0.00 3.11 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 124 V 8.64 4.07 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 0.85 0.00 0.00 0.96 0.00 0.00 125 T 9.07 4.53 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 1.31 0.00 0.00 126 A 7.86 4.38 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 G 8.25 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 0.00 0.00 0.00 128 P 0.00 5.09 0.00 1.96 1.93 0.00 3.53 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 129 Y 7.63 4.91 0.00 2.93 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 0.00 0.00 0.00 130 D 8.90 4.96 0.00 2.70 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 0.00 131 E 8.46 4.60 0.00 2.11 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 0.00 2.21 2.27 0.00 132 D 9.92 4.38 0.00 2.82 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 0.00 133 G 8.38 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 0.00 134 A 7.99 4.81 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.83 0.00 2.10 1.99 0.00 3.55 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 2.12 2.09 0.00 136 V 8.47 4.97 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 1.08 0.00 0.00 1.04 0.00 0.00 137 V 8.58 4.73 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 0.91 0.00 0.00 1.00 0.00 0.00 138 I 8.43 4.44 1.92 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.94 0.94 0.00 0.00 *140 H 8.41 5.20 0.00 3.25 3.34 0.00 5.80 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.43 4.65 0.00 0.79 0.74 0.00 1.05 0.00 0.00 1.05 0.00 0.00 2.71 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.07 1.19 7.81 142 Q 8.66 4.30 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.56 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 143 L 8.63 4.59 0.00 1.64 1.63 1.10 0.86 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 0.00 144 L 8.24 4.32 0.00 1.56 1.48 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.