NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 52 L 4.3744 8.1693 120.6400 54.4519 42.2447 176.8458 53 S 4.3822 8.4662 119.7472 57.2014 65.3486 173.2510 54 L 4.0441 8.7134 121.6735 58.1009 41.6192 180.2883 55 Y 3.9040 7.9845 119.0981 61.0142 38.9286 177.4562 56 Y 4.0786 7.7099 117.2667 60.7659 38.0956 178.6918 57 K 3.9978 8.3328 120.9423 59.2713 31.9177 178.8907 58 K 3.9424 7.9114 120.0584 59.3923 32.0824 178.9923 59 I 3.5714 7.6012 120.2666 64.1916 36.8213 178.3618 60 R 3.8999 8.1089 119.6315 59.4141 29.6653 178.3603 61 E 3.9405 7.8296 117.2253 59.5701 29.5343 179.0046 62 Q 4.1641 7.6401 116.3236 57.7711 29.3010 177.3932 63 L 4.4420 8.0186 118.3308 52.9574 42.3640 177.7266 64 G 3.7988 8.1203 108.5971 47.4479 0.0000 175.5446 65 H 4.9917 8.4904 122.0643 54.9331 29.1407 174.5610 66 E 4.4122 7.6533 119.1985 55.8387 30.1984 176.6441 67 L 4.1269 8.5622 124.3192 56.1703 42.7698 176.0778 68 I 4.5319 8.4211 127.4724 59.7398 39.5635 176.3080 69 F 4.9930 8.6787 129.4836 56.9723 41.5788 171.5432 *71 P 4.4624 0.0000 0.0000 62.9278 32.8148 176.1844 72 S 5.2757 9.4903 119.5426 56.9383 67.9189 173.1808 73 V 5.2242 8.8669 112.8822 59.9296 35.9885 174.9246 74 A 5.1681 8.8650 123.0863 50.3162 22.8461 174.8091 75 A 5.1435 8.7562 122.3793 50.0907 21.8234 176.3223 76 V 4.1523 8.6898 122.3355 61.4558 33.4326 174.3955 77 I 5.0897 8.1257 128.8853 58.5487 39.8809 175.0989 78 K 5.7619 9.0484 125.5630 53.7947 34.8833 175.9357 79 N 4.7188 8.2804 119.7499 51.2695 39.4880 175.0050 80 E 3.8699 8.6553 118.2322 59.4355 29.4931 177.5697 81 Q 4.1823 7.9814 113.5154 56.0020 28.9818 176.3925 82 G 3.9446 8.0988 106.9252 45.5791 0.0000 173.7654 83 E 4.4822 8.5406 119.7899 56.1644 31.0743 175.7052 84 I 4.9686 9.3296 124.1939 59.7969 39.6967 174.5847 85 L 4.2697 8.2945 128.8204 54.3756 42.6480 175.8398 86 F 5.2871 9.2896 124.2075 55.7571 43.5438 173.6758 87 Q 5.3189 10.0685 121.7463 54.6209 32.2603 173.3803 88 Y 4.3083 8.5645 127.3710 55.3217 39.7654 173.6373 89 P 3.9638 0.0000 0.0000 65.4680 31.8402 176.2535 *93 Y 4.6054 7.3991 113.7019 57.7753 38.7037 174.7383 94 W 4.9878 8.5576 122.2764 55.9887 31.7869 175.0979 95 S 4.9702 9.6695 115.1004 56.7584 65.8390 173.0789 96 L 4.6329 8.7123 123.3634 53.5045 42.9191 175.0505 97 P 4.4050 0.0000 0.0000 63.1458 32.1355 175.5385 98 A 5.0617 8.2365 126.3551 50.4412 22.5582 174.2272 99 G 4.0112 8.2135 106.9446 45.1105 0.0000 172.4736 100 A 4.6001 8.3990 121.2567 51.6560 19.2003 177.4218 101 I 4.1497 8.7291 123.1337 61.0684 38.2226 175.7086 102 E 4.5942 9.2802 127.0523 54.9287 31.0642 176.2634 103 L 4.0894 8.0233 124.5112 56.8272 40.8944 176.5049 104 G 4.0585 8.8466 110.8752 45.7376 0.0000 173.8037 105 E 4.5681 7.7469 118.7629 55.4574 30.8718 176.8965 106 T 4.3114 8.4035 113.0503 60.6699 71.3476 174.3108 107 P 4.3956 0.0000 0.0000 65.7553 31.4485 178.9648 108 E 3.2375 8.0017 117.1186 59.2311 29.4643 178.9856 109 E 3.9189 8.0537 118.1928 59.1543 29.3870 179.3069 110 A 4.1466 8.0610 121.1924 55.1748 18.4955 180.1210 111 V 3.6292 7.7620 117.8124 64.8176 31.6027 178.8529 112 V 3.5594 7.6073 118.5679 65.6744 31.3959 178.0822 113 R 4.0225 8.0537 118.4500 59.5861 29.8255 178.2962 114 E 4.0446 8.6071 118.8519 59.4933 29.3624 179.5783 115 V 3.6277 8.0581 118.3276 65.6143 31.5777 177.9440 116 W 4.3545 8.1246 129.1252 60.0276 30.3583 177.9399 117 E 3.5282 8.2213 117.4284 59.2998 29.0030 178.7769 118 E 4.1673 8.3196 117.8949 58.2505 29.7741 178.1772 119 T 4.4850 8.2952 107.7382 60.5891 71.0085 175.3508 120 G 3.7352 8.0450 109.5880 44.7737 0.0000 172.5124 121 L 4.6560 7.6367 119.9070 53.6304 43.7249 175.5927 122 K 4.8608 9.0645 124.9788 55.3733 33.4619 175.7299 123 V 5.1952 8.4973 119.8404 59.4994 35.7250 174.6891 124 Q 4.6704 8.6199 119.1375 54.1686 32.0380 174.7924 125 V 3.9018 8.2401 121.2698 63.2884 31.7065 175.0873 126 K 4.4320 9.1117 130.8421 57.8571 32.4605 176.3000 127 K 4.7256 7.6890 117.1669 55.6908 36.0429 173.4703 128 Q 4.4639 8.6801 123.0335 55.2393 29.8361 175.3066 129 K 4.4100 8.6148 125.2693 56.3465 33.1516 175.8192 130 G 3.5940 7.7884 107.2114 43.8710 0.0000 173.1032 131 V 4.4248 7.2506 118.7486 60.6633 33.7566 174.6173 132 F 4.6919 8.5717 126.6440 56.0398 42.2256 175.1607 133 G 3.6451 8.3554 107.4021 46.4142 0.0000 171.5723 134 G 4.0467 8.8905 106.2074 44.1258 0.0000 173.9265 135 K 3.8891 8.6823 116.3533 59.5197 32.0083 178.8338 136 E 4.1339 8.2518 116.0206 58.1603 29.8476 176.5681 137 Y 4.4619 8.2443 116.7044 57.5715 39.4293 174.7174 138 R 4.5853 7.6916 120.5999 55.4595 31.4722 175.1492 139 Y 4.7340 9.2179 126.8043 56.1367 42.5711 173.6706 140 T 4.8590 7.6427 122.4297 61.5856 70.8609 173.8590 141 Y 3.9649 8.9343 125.0534 57.6443 38.6289 177.7065 142 S 4.1059 8.7917 117.9638 61.6693 62.9585 175.5232 143 N 4.5022 8.0907 114.9891 53.0610 37.5877 175.6434 144 G 3.8004 8.0303 107.4278 45.1522 0.0000 173.6144 145 D 4.5267 8.4683 120.9080 54.6871 41.8951 175.2182 146 E 4.7937 9.0049 124.3113 55.3246 31.3863 176.0182 147 V 4.9449 9.0772 117.0879 59.5495 36.4651 174.0682 148 E 4.8549 8.8158 123.6823 54.7335 32.0372 174.5207 149 Y 5.1034 8.7806 124.4113 56.6404 40.6677 175.1974 150 I 4.6593 8.5106 121.4308 59.5001 41.2452 173.7994 151 V 4.8756 8.9355 130.5023 61.1592 34.2075 174.2979 152 V 4.3843 8.5528 128.1886 61.4412 33.1529 174.4116 153 V 4.6240 8.2861 128.6564 61.5807 33.3519 174.4751 154 F 5.3108 8.9168 125.9496 55.5868 42.6528 173.7175 155 E 4.6681 9.4996 125.4135 55.9576 30.8174 174.9703 156 C 5.4795 9.3360 124.9684 57.7983 32.2743 172.6551 157 E 4.8093 8.7214 119.2999 54.2729 32.1667 175.3521 158 V 4.3012 8.5850 123.6675 63.4605 31.6675 175.2073 159 T 4.5087 8.7698 118.0103 63.1259 71.0242 173.6252 160 S 4.3894 8.0158 114.5778 57.7055 66.3317 173.6273 161 G 4.2097 9.3741 108.1360 44.5168 0.0000 171.3874 162 E 4.8069 7.7549 114.8188 54.3017 32.7662 175.5907 163 L 4.3409 8.5465 119.8011 56.4690 44.1673 177.2075 164 R 4.0416 8.4817 116.8901 55.0941 25.7714 177.6897 *172 K 4.2492 8.9033 121.0811 56.9001 34.7480 175.3577 173 L 5.4111 8.4722 122.0224 53.1654 44.6233 175.7262 174 Q 4.6533 9.2612 123.6644 55.0564 33.0579 172.6394 175 Y 5.0772 8.4892 122.8395 57.2775 39.4223 174.9561 176 F 5.0452 9.5470 121.8231 55.5897 43.6917 175.0203 177 S 4.6391 8.7469 116.5827 57.4526 63.8935 174.7163 178 L 3.8417 8.6852 123.3245 58.3645 41.7505 179.4769 179 S 4.1781 8.0281 111.1232 60.3046 63.2302 174.3531 180 E 4.4554 7.7260 118.8370 55.3031 29.8938 176.1696 181 K 3.1730 7.2622 119.2310 56.2633 32.7259 175.1430 182 P 4.1020 0.0000 0.0000 61.3020 32.3085 174.0826 183 P 4.4605 0.0000 0.0000 62.9692 32.5240 175.0604 184 L 5.0899 8.6330 121.8197 52.4256 43.3473 176.6780 185 A 3.0340 8.4881 125.3537 54.7061 18.6011 178.3705 186 L 3.7639 7.3063 115.0392 53.1723 42.9340 176.4560 187 P 4.4314 0.0000 0.0000 62.4645 29.6723 176.3213 188 Y 4.0893 7.0225 115.4910 57.1368 39.1032 175.0085 189 P 4.4881 0.0000 0.0000 62.2202 32.4680 177.2749 190 D 4.8053 8.7357 120.7715 56.8124 40.4371 179.0163 191 K 4.1575 8.0835 119.4058 59.4070 32.3659 178.7511 192 I 3.6881 7.1928 113.4033 63.1182 37.5916 176.7622 193 F 4.6540 7.6142 117.5243 57.9747 39.5609 175.4789 194 L 4.3578 7.4447 127.0146 54.9875 41.8898 175.6026 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 52 L 8.17 4.37 0.00 1.70 1.80 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.47 4.38 0.00 4.28 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 54 L 8.71 4.04 0.00 1.77 1.81 0.96 0.71 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 55 Y 7.98 3.90 0.00 2.96 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 7.71 4.08 0.00 3.02 3.05 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 57 K 8.33 4.00 0.00 1.95 2.06 0.00 1.65 0.00 0.00 1.59 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 58 K 7.91 3.94 0.00 2.00 1.83 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.58 7.81 59 I 7.60 3.57 1.82 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.18 0.86 0.00 0.00 60 R 8.11 3.90 0.00 2.05 2.14 0.00 3.40 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 61 E 7.83 3.94 0.00 2.18 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 62 Q 7.64 4.16 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 63 L 8.02 4.44 0.00 1.70 1.68 0.94 0.91 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 64 G 8.12 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 65 H 8.49 4.99 0.00 3.20 3.47 0.00 5.91 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.65 4.41 0.00 2.00 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 2.35 2.41 0.00 67 L 8.56 4.13 0.00 1.60 1.59 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.42 4.53 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.75 1.14 0.00 0.00 69 F 8.68 4.99 0.00 3.06 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 *71 P 0.00 4.46 0.00 2.21 2.00 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 72 S 9.49 5.28 0.00 3.73 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 73 V 8.87 5.22 2.26 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 0.96 0.00 0.00 1.08 0.00 0.00 74 A 8.87 5.17 1.07 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 75 A 8.76 5.14 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 76 V 8.69 4.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.72 0.00 0.00 77 I 8.13 5.09 1.86 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 1.39 1.20 1.02 0.00 0.00 78 K 9.05 5.76 0.00 1.76 1.74 0.00 1.84 0.00 0.00 2.47 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.42 7.81 79 N 8.28 4.72 0.00 2.61 2.30 0.00 0.00 5.82 7.66 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 80 E 8.66 3.87 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 81 Q 7.98 4.18 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.60 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 82 G 8.10 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 83 E 8.54 4.48 0.00 2.05 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 0.00 2.35 2.27 0.00 84 I 9.33 4.97 1.96 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.87 0.65 0.00 0.00 85 L 8.29 4.27 0.00 1.05 1.32 0.29 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 86 F 9.29 5.29 0.00 3.32 3.30 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 87 Q 10.07 5.32 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 88 Y 8.56 4.31 0.00 1.43 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 0.00 0.00 0.00 89 P 0.00 3.96 0.00 1.75 1.91 0.00 3.10 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.95 0.00 *93 Y 7.40 4.61 0.00 3.04 2.98 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 94 W 8.56 4.99 0.00 3.14 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 9.67 4.97 0.00 3.86 3.72 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 96 L 8.71 4.63 0.00 1.59 1.51 0.45 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.41 0.00 2.06 2.00 0.00 3.70 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 2.05 2.08 0.00 98 A 8.24 5.06 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.21 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.40 4.60 1.04 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 0.00 101 I 8.73 4.15 1.97 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 1.31 0.66 0.95 0.00 0.00 102 E 9.28 4.59 0.00 2.14 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 2.43 2.47 0.00 103 L 8.02 4.09 0.00 1.51 1.42 -0.34 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.85 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 0.00 0.00 0.00 105 E 7.75 4.57 0.00 2.07 1.88 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 2.30 2.34 0.00 106 T 8.40 4.31 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 1.19 0.00 0.00 107 P 0.00 4.40 0.00 2.52 2.38 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 108 E 8.00 3.24 0.00 1.90 1.74 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 2.22 1.88 0.00 109 E 8.05 3.92 0.00 2.16 1.96 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 2.27 2.27 0.00 110 A 8.06 4.15 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 0.00 111 V 7.76 3.63 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 0.47 0.00 0.00 1.04 0.00 0.00 112 V 7.61 3.56 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 1.00 0.00 0.00 0.91 0.00 0.00 113 R 8.05 4.02 0.00 2.04 2.10 0.00 3.37 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.79 0.00 114 E 8.61 4.04 0.00 2.10 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 2.54 2.51 0.00 115 V 8.06 3.63 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 1.13 0.00 0.00 1.03 0.00 0.00 116 W 8.12 4.35 0.00 3.49 3.42 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 0.00 117 E 8.22 3.53 0.00 2.13 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 2.42 2.80 0.00 118 E 8.32 4.17 0.00 1.97 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 2.46 2.45 0.00 119 T 8.30 4.49 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 0.00 120 G 8.05 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 0.00 121 L 7.64 4.66 0.00 1.72 1.66 0.99 0.63 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 0.00 122 K 9.06 4.86 0.00 1.91 1.82 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.38 7.81 123 V 8.50 5.20 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 0.85 0.00 0.00 0.95 0.00 0.00 124 Q 8.62 4.67 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 125 V 8.24 3.90 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 0.72 0.00 0.00 0.49 0.00 0.00 126 K 9.11 4.43 0.00 1.81 2.06 0.00 1.78 0.00 0.00 2.16 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.45 7.81 127 K 7.69 4.73 0.00 1.86 1.87 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.47 7.81 128 Q 8.68 4.46 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.35 0.00 0.00 0.00 0.00 0.00 1.91 1.80 0.00 129 K 8.61 4.41 0.00 1.55 1.76 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.46 7.81 130 G 7.79 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 0.00 131 V 7.25 4.42 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 0.69 0.00 0.00 0.70 0.00 0.00 132 F 8.57 4.69 0.00 2.52 2.44 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 0.00 133 G 8.36 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.89 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 0.00 135 K 8.68 3.89 0.00 1.84 1.89 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.45 7.81 136 E 8.25 4.13 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 137 Y 8.24 4.46 0.00 3.15 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 0.00 138 R 7.69 4.59 0.00 1.79 1.88 0.00 3.15 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 139 Y 9.22 4.73 0.00 2.98 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 0.00 140 T 7.64 4.86 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 1.12 0.00 0.00 141 Y 8.93 3.96 0.00 3.14 2.95 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 0.00 142 S 8.79 4.11 0.00 3.92 3.96 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 0.00 143 N 8.09 4.50 0.00 2.84 2.95 0.00 0.00 6.28 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 G 8.03 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 0.00 145 D 8.47 4.53 0.00 2.76 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 0.00 146 E 9.00 4.79 0.00 2.02 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 2.23 2.48 0.00 147 V 9.08 4.94 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 0.83 0.00 0.00 0.93 0.00 0.00 148 E 8.82 4.85 0.00 1.72 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 2.18 2.23 0.00 149 Y 8.78 5.10 0.00 3.16 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 0.00 150 I 8.51 4.66 2.05 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.00 0.75 0.00 0.00 151 V 8.94 4.88 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 1.12 0.00 0.00 1.08 0.00 0.00 152 V 8.55 4.38 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 0.25 0.00 0.00 0.87 0.00 0.00 153 V 8.29 4.62 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 0.68 0.00 0.00 0.92 0.00 0.00 154 F 8.92 5.31 0.00 2.97 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 0.00 155 E 9.50 4.67 0.00 2.04 1.88 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 2.33 2.33 0.00 156 C 9.34 5.48 0.00 2.89 2.79 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 0.00 157 E 8.72 4.81 0.00 2.03 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 2.28 2.22 0.00 158 V 8.58 4.30 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 0.87 0.00 0.00 1.01 0.00 0.00 159 T 8.77 4.51 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 0.00 160 S 8.02 4.39 0.00 3.91 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 0.00 161 G 9.37 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 E 7.75 4.81 0.00 2.17 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 2.22 0.00 163 L 8.55 4.34 0.00 1.69 1.78 0.94 1.13 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 0.00 164 R 8.48 4.04 0.00 1.90 2.00 0.00 3.23 0.00 0.00 3.13 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 *172 K 8.90 4.25 0.00 1.70 1.86 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.56 7.81 173 L 8.47 5.41 0.00 1.52 1.56 0.94 0.85 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 0.00 174 Q 9.26 4.65 0.00 2.38 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 1.57 2.19 0.00 175 Y 8.49 5.08 0.00 2.88 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 0.00 176 F 9.55 5.05 0.00 2.89 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 0.00 177 S 8.75 4.64 0.00 4.02 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 0.00 178 L 8.69 3.84 0.00 1.66 1.72 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 179 S 8.03 4.18 0.00 4.00 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 0.00 180 E 7.73 4.46 0.00 2.07 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 0.00 2.25 2.22 0.00 181 K 7.26 3.17 0.00 1.24 1.58 0.00 1.09 0.00 0.00 1.24 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.10 7.81 182 P 0.00 4.10 0.00 1.27 0.53 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 183 P 0.00 4.46 0.00 2.39 2.26 0.00 3.50 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.00 0.00 184 L 8.63 5.09 0.00 1.73 1.74 1.47 1.34 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 0.00 185 A 8.49 3.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 L 7.31 3.76 0.00 1.09 0.65 0.82 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 187 P 0.00 4.43 0.00 2.01 1.88 0.00 2.74 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.58 0.00 188 Y 7.02 4.09 0.00 2.95 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 P 0.00 4.49 0.00 2.15 1.98 0.00 2.93 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 190 D 8.74 4.81 0.00 2.85 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 0.00 191 K 8.08 4.16 0.00 2.02 2.12 0.00 1.57 0.00 0.00 1.94 0.00 0.00 3.13 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.53 1.56 7.81 192 I 7.19 3.69 1.50 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.36 0.81 0.00 0.00 193 F 7.61 4.65 0.00 3.31 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 0.00 194 L 7.44 4.36 0.00 1.64 1.57 0.97 0.85 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 * Residues marked with a * may have inaccurate shift predictions.