NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 D 4.5917 8.3649 120.5296 54.1217 42.5337 175.4416 22 R 4.1898 7.8575 117.1134 52.7675 31.5783 174.8635 23 P 4.4817 0.0000 0.0000 62.5639 34.3570 176.7461 24 I 3.6235 8.3360 118.4688 64.6131 37.7159 177.8920 25 E 3.9197 8.0819 118.7649 59.4337 29.3572 179.2007 26 Q 4.0220 7.9774 117.6797 58.8041 28.8998 178.2911 27 Q 3.9880 8.0937 119.1413 59.0954 28.8018 179.0615 28 L 3.8982 8.2149 119.9517 57.5930 41.4724 179.4131 29 A 4.2514 7.7476 120.6739 55.3285 18.2794 179.7381 30 L 4.0651 8.1570 117.6185 57.6783 41.6798 179.8436 31 G 3.8469 8.1427 107.0754 47.3781 0.0000 174.9776 32 Y 3.3632 7.8409 122.2459 60.2100 38.7403 178.3032 33 I 3.7472 8.0651 120.7392 64.0616 37.1882 178.1172 34 K 3.7692 8.3793 120.6844 59.6753 31.9580 178.6511 35 A 3.9091 7.9679 120.7468 54.9204 18.1925 179.3409 36 L 3.8010 7.9184 119.3667 58.5136 41.9926 179.2598 37 T 3.9840 7.7665 108.1128 63.9937 69.0036 175.7508 38 E 4.1023 7.9415 119.2166 55.8895 30.0638 175.7527 39 H 3.4786 7.3051 115.0530 56.5817 27.0738 176.2843 40 D 4.4502 7.5325 119.2828 53.2418 39.6189 174.6129 41 Y 4.3029 7.5864 122.9548 60.2202 38.0061 177.2629 42 Q 4.0104 8.0736 119.6379 59.6043 29.4566 178.0295 43 T 4.0349 7.9363 116.4421 66.5469 68.4259 176.6124 44 L 4.0776 8.2381 122.4849 58.2756 42.1542 179.0810 45 S 4.3179 8.6353 115.4777 61.5600 62.4992 176.7734 46 K 4.0128 7.6827 120.3116 59.1717 31.7079 177.6310 47 Y 4.3333 8.1672 116.3159 59.3273 38.3491 174.7014 48 Y 5.1297 7.6826 117.4926 56.2967 40.4388 174.5838 49 N 5.1676 8.8579 118.8005 51.1858 40.7250 174.5030 50 R 3.8940 8.7901 116.5776 59.5592 29.9074 177.5749 51 D 4.9230 8.1571 114.3195 53.9627 41.8460 176.7856 52 S 4.5478 8.0714 116.6121 58.8052 64.3753 173.1908 53 V 4.8544 8.6032 123.1068 61.0347 34.4771 173.7934 54 F 5.3647 9.2726 130.1953 56.6286 41.8435 173.2657 55 Y 5.0162 8.3897 127.3495 55.9725 41.7105 173.7665 56 D 4.4390 8.6503 128.4541 52.4382 41.1483 176.7598 57 K 3.1046 7.7289 128.0316 59.0422 32.5406 178.6087 58 T 3.9732 7.8948 108.2194 63.6542 68.9101 175.0621 59 A 4.5541 7.9252 122.8031 51.0394 19.9293 175.8302 60 D 4.5336 7.7830 114.6345 55.7095 39.2143 173.6136 61 T 4.6273 7.5630 106.6012 59.8734 72.5015 173.0453 62 K 4.8823 7.7391 123.4736 55.3086 35.5231 174.4763 63 Y 4.7310 9.2910 124.8129 56.1491 41.3060 174.5387 64 I 4.8347 8.6452 123.8350 60.6303 40.2850 176.0005 65 G 4.0490 9.5866 113.7698 46.2061 0.0000 174.1938 66 T 3.8292 8.3505 119.5495 66.6380 68.5022 176.4132 67 R 3.8796 8.0313 119.5770 59.9162 30.2913 178.6627 68 S 4.1871 7.9651 114.2093 61.4557 62.9018 176.7206 69 I 3.6669 7.9080 122.7109 64.3913 36.8797 178.5335 70 I 3.5880 7.9457 120.7300 64.1019 36.8796 178.1717 71 A 3.8299 7.9476 121.6311 55.1922 18.1361 179.4797 72 F 3.9432 7.8390 118.4620 61.3135 39.3154 177.2943 73 L 3.0991 7.4930 118.4501 57.5287 41.1544 179.4362 74 Q 3.6565 7.6192 116.9848 58.8789 28.7670 178.9898 75 R 3.9149 7.7153 118.7493 59.3556 29.9252 179.1064 76 S 3.8469 7.3393 113.3674 61.5467 63.0266 175.9262 77 H 4.7774 7.6381 116.5135 54.1706 28.6662 174.2739 78 E 4.0136 7.2288 123.1124 57.7101 29.6031 177.3882 79 G 3.9020 8.9099 113.2679 45.5892 0.0000 173.6859 80 V 3.7209 7.5145 119.5914 63.1057 32.0781 175.5132 81 L 4.5644 8.8814 126.3401 56.2763 43.0649 177.0587 82 E 4.8917 7.9483 116.4716 54.8232 34.1672 174.5627 83 F 5.6430 8.7164 124.4598 57.4816 42.6054 172.4813 84 D 4.3944 9.1190 124.0970 53.1411 45.3957 173.6294 85 F 4.9074 8.3387 124.5004 56.4591 41.1838 174.7036 86 N 4.4716 9.1425 126.3353 52.0750 39.1606 174.6253 87 I 3.5624 7.6371 125.5564 60.7936 37.3249 176.0511 88 E 4.2057 8.9119 127.7527 59.0503 30.3468 175.6009 89 H 4.8446 7.6511 116.0242 55.0833 33.5873 171.6901 *91 F 4.8443 8.4578 114.2212 57.0293 39.4291 173.2402 92 N 5.9286 8.6160 114.2534 51.9665 40.4359 174.2133 93 T 4.5467 8.6290 117.0621 62.5724 71.5036 175.1791 94 G 3.8721 8.5208 117.9321 45.8695 0.0000 173.5323 95 P 4.3879 0.0000 0.0000 63.7903 31.5861 174.7556 96 L 4.8805 8.0118 123.1574 53.6813 43.6014 174.9231 97 V 4.6925 8.8929 127.4464 61.3040 33.7318 174.9554 98 V 4.4657 8.0308 127.5105 60.8415 34.6067 174.2828 *100 I 3.9732 8.0759 121.1591 61.2895 38.5311 176.1138 101 G 3.9323 7.9496 113.2419 45.9065 0.0000 170.9780 102 N 5.6200 8.2434 116.9672 51.8266 42.8646 173.3219 103 Y 5.1293 9.5083 121.5673 57.2321 39.9023 174.1858 104 H 5.4978 9.2695 122.2358 54.1471 31.4650 173.8486 105 L 5.4331 8.9963 124.1106 53.5165 45.9212 174.6644 106 R 4.9936 9.1561 126.2481 54.2195 33.2913 174.7445 107 G 4.2842 8.3734 112.3447 45.4285 0.0000 170.3136 108 P 4.8744 0.0000 0.0000 62.7604 31.8643 177.4981 109 G 4.3855 8.7631 108.2375 45.6046 0.0000 175.7195 110 E 3.9557 8.2817 121.2828 59.8723 29.3635 178.9468 111 Q 3.9503 8.1424 116.6058 57.9191 28.9345 176.5693 112 F 4.6594 7.7062 116.6882 56.8390 39.6198 175.1653 113 G 4.0262 8.2060 107.2183 46.7155 0.0000 175.3541 114 K 4.6557 8.2370 117.0768 53.4496 31.2267 174.2825 115 P 4.5935 0.0000 0.0000 63.9937 32.2854 177.9256 116 G 3.8065 9.5185 108.4532 46.1200 0.0000 173.2172 117 K 4.7702 7.4658 114.6924 54.3374 36.9128 175.1732 118 I 4.9498 8.3493 122.6139 59.7831 38.8090 175.4271 119 I 4.5868 8.6155 121.3430 59.6830 40.3863 174.6148 120 D 5.1346 9.1263 123.6047 53.0593 43.7692 174.3503 121 I 4.9446 9.0239 119.0262 59.2131 41.8127 174.4750 122 A 4.9096 9.2222 124.6026 50.6895 21.6112 175.7120 123 I 4.4485 8.8430 124.0877 59.2712 39.6614 174.0683 124 P 4.8470 0.0000 0.0000 63.4268 32.0360 175.8793 125 G 4.2810 9.1178 108.8492 45.5977 0.0000 171.9073 126 V 4.9821 8.8733 120.1923 61.1972 34.3826 174.2933 127 T 5.2483 8.9114 124.1279 61.9325 71.2123 173.4152 128 T 4.9106 8.9741 116.2826 59.9069 72.1193 173.1318 129 L 4.9190 8.8669 123.0923 52.8021 45.9657 175.1598 130 K 4.9596 8.6612 125.1857 54.6986 34.3960 174.6150 131 F 5.2861 8.6669 126.3763 55.4669 41.5191 175.2816 132 D 4.4824 9.2578 123.1929 53.8151 41.3506 175.5851 133 P 4.3141 0.0000 0.0000 65.4782 31.7465 177.3462 134 N 4.6087 9.0114 115.6828 54.9922 38.7932 175.9836 135 T 4.3714 7.9709 105.1593 60.6334 70.5358 174.8923 136 Q 3.8440 8.4081 119.6284 56.5083 26.9638 173.4882 137 R 4.7124 7.7146 117.2013 55.3685 32.0118 175.5040 138 L 4.1489 9.0076 124.8465 55.8265 42.2561 176.7378 139 T 4.3181 9.2317 124.0076 65.8397 69.8539 174.5347 140 E 5.1200 7.7560 120.8039 54.7724 33.5375 172.9664 141 Q 5.0213 9.4234 128.0825 54.2826 31.8539 174.0856 142 V 4.6882 8.6259 125.9154 61.1576 34.6954 173.6548 143 D 5.3819 8.6100 127.4761 52.5466 43.5230 175.3460 144 L 4.9405 8.6814 121.8264 51.8472 45.6975 175.3839 *146 D 4.4610 8.4275 119.8908 54.5004 41.2064 174.6461 147 Y 4.4612 7.7464 119.9803 60.3673 38.8927 177.5457 148 Q 4.1807 8.3191 120.8933 59.4823 29.5136 178.9589 149 T 4.1490 8.0080 112.4336 64.0428 68.1322 176.0535 *151 S 4.4005 8.2580 117.7304 58.5854 64.1398 175.3303 152 D 4.4039 8.3995 118.9333 57.6152 40.8934 178.5657 153 Q 4.1519 8.1999 118.3230 59.1363 28.7812 179.0728 154 L 4.1432 7.8977 119.0822 57.2648 41.4567 178.7833 155 Q 4.0229 7.9146 119.6326 58.7774 28.9355 177.3409 156 S 4.5825 7.4375 109.8965 58.1377 63.6401 174.0761 157 Q 4.2340 7.9334 125.9211 56.3289 28.7277 175.2452 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 21 D 8.36 4.59 0.00 2.66 2.76 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 22 R 7.86 4.19 0.00 1.87 1.85 0.00 3.20 0.00 0.00 3.42 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 23 P 0.00 4.48 0.00 2.48 2.18 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.04 0.00 24 I 8.34 3.62 1.85 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 1.60 1.00 0.89 0.00 0.00 25 E 8.08 3.92 0.00 2.12 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 2.56 2.47 0.00 26 Q 7.98 4.02 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 27 Q 8.09 3.99 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.69 0.00 28 L 8.21 3.90 0.00 0.93 0.51 0.47 0.71 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 29 A 7.75 4.25 1.51 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 0.00 0.00 0.00 30 L 8.16 4.07 0.00 1.84 1.72 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.14 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.84 3.36 0.00 2.32 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 33 I 8.07 3.75 1.95 0.00 0.00 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 1.85 0.96 1.02 0.00 0.00 34 K 8.38 3.77 0.00 1.89 1.97 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.49 7.81 35 A 7.97 3.91 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 36 L 7.92 3.80 0.00 1.41 1.75 1.07 1.26 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 37 T 7.77 3.98 3.89 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 0.72 0.00 0.00 38 E 7.94 4.10 0.00 1.95 1.95 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 2.27 2.36 0.00 39 H 7.31 3.48 0.00 3.05 2.96 0.00 5.64 0.00 0.00 0.00 0.00 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.53 4.45 0.00 2.59 2.45 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 41 Y 7.59 4.30 0.00 3.12 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 42 Q 8.07 4.01 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.06 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 43 T 7.94 4.03 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 1.29 0.00 0.00 44 L 8.24 4.08 0.00 1.79 1.75 0.19 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.64 4.32 0.00 4.17 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 46 K 7.68 4.01 0.00 1.52 1.66 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.54 7.81 47 Y 8.17 4.33 0.00 2.99 3.11 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 48 Y 7.68 5.13 0.00 3.09 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 49 N 8.86 5.17 0.00 2.95 3.00 0.00 0.00 6.74 7.19 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 50 R 8.79 3.89 0.00 1.89 2.02 0.00 3.16 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 51 D 8.16 4.92 0.00 2.74 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 52 S 8.07 4.55 0.00 3.86 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.60 4.85 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 0.88 0.00 0.00 0.91 0.00 0.00 54 F 9.27 5.36 0.00 3.19 3.02 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 55 Y 8.39 5.02 0.00 2.82 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 56 D 8.65 4.44 0.00 2.71 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 57 K 7.73 3.10 0.00 0.97 1.47 0.00 1.77 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.23 7.81 58 T 7.89 3.97 4.44 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 1.19 0.00 0.00 59 A 7.93 4.55 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 60 D 7.78 4.53 0.00 2.78 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 61 T 7.56 4.63 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 1.18 0.00 0.00 62 K 7.74 4.88 0.00 1.55 1.41 0.00 1.32 0.00 0.00 1.48 0.00 0.00 2.67 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.16 1.31 7.81 63 Y 9.29 4.73 0.00 2.91 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 64 I 8.65 4.83 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.55 0.96 0.00 0.00 65 G 9.59 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 66 T 8.35 3.83 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 1.38 0.00 0.00 67 R 8.03 3.88 0.00 1.88 1.94 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 68 S 7.97 4.19 0.00 4.13 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.91 3.67 1.30 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.84 0.51 0.00 0.00 70 I 7.95 3.59 1.92 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.97 0.78 0.00 0.00 71 A 7.95 3.83 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 72 F 7.84 3.94 0.00 2.57 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 73 L 7.49 3.10 0.00 1.59 1.63 1.04 0.55 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 74 Q 7.62 3.66 0.00 1.86 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 75 R 7.72 3.91 0.00 1.82 1.84 0.00 3.10 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 76 S 7.34 3.85 0.00 3.10 3.33 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 77 H 7.64 4.78 0.00 3.18 3.05 0.00 5.65 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.23 4.01 0.00 1.94 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 2.28 2.28 0.00 79 G 8.91 3.90 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 0.00 0.00 0.00 80 V 7.51 3.72 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 0.87 0.00 0.00 0.87 0.00 0.00 81 L 8.88 4.56 0.00 1.67 1.72 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 82 E 7.95 4.89 0.00 1.93 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 2.33 2.33 0.00 83 F 8.72 5.64 0.00 2.87 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 84 D 9.12 4.39 0.00 2.68 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.34 4.91 0.00 2.27 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 86 N 9.14 4.47 0.00 2.55 2.61 0.00 0.00 6.69 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.64 3.56 1.56 0.00 0.00 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 -0.06 -0.26 0.70 0.00 0.00 88 E 8.91 4.21 0.00 1.92 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 2.28 2.19 0.00 89 H 7.65 4.84 0.00 3.08 3.26 0.00 5.95 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *91 F 8.46 4.84 0.00 3.11 3.11 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 92 N 8.62 5.93 0.00 2.88 2.80 0.00 0.00 6.20 7.71 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 93 T 8.63 4.55 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 1.25 0.00 0.00 94 G 8.52 3.87 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 0.00 0.00 0.00 95 P 0.00 4.39 0.00 2.29 2.47 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 96 L 8.01 4.88 0.00 1.82 1.74 0.90 0.83 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 97 V 8.89 4.69 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 0.99 0.00 0.00 1.10 0.00 0.00 98 V 8.03 4.47 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 0.56 0.00 0.00 0.68 0.00 0.00 *100 I 8.08 3.97 1.95 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.63 0.98 0.00 0.00 101 G 7.95 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 0.00 102 N 8.24 5.62 0.00 2.80 2.83 0.00 0.00 7.38 7.05 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 0.00 103 Y 9.51 5.13 0.00 2.98 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 0.00 104 H 9.27 5.50 0.00 3.12 3.26 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 9.00 5.43 0.00 1.92 1.48 0.84 0.48 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 0.00 106 R 9.16 4.99 0.00 1.90 1.75 0.00 3.43 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 107 G 8.37 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 0.00 0.00 0.00 0.00 108 P 0.00 4.87 0.00 2.34 2.09 0.00 3.80 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 2.00 1.98 0.00 109 G 8.76 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.28 3.96 0.00 2.07 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 2.41 2.46 0.00 111 Q 8.14 3.95 0.00 1.81 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.39 0.00 0.00 0.00 0.00 0.00 2.02 1.57 0.00 112 F 7.71 4.66 0.00 3.16 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 0.00 113 G 8.21 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 0.00 114 K 8.24 4.66 0.00 1.89 1.75 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.52 7.81 115 P 0.00 4.59 0.00 2.22 2.19 0.00 3.85 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 116 G 9.52 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 0.00 117 K 7.47 4.77 0.00 1.81 1.66 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.54 7.81 118 I 8.35 4.95 1.87 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 1.41 0.85 0.91 0.00 0.00 119 I 8.62 4.59 1.71 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 0.85 0.77 0.88 0.00 0.00 120 D 9.13 5.13 0.00 2.61 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.02 4.94 1.89 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.74 0.78 0.00 0.00 122 A 9.22 4.91 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 0.00 123 I 8.84 4.45 1.98 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 1.30 1.00 0.88 0.00 0.00 124 P 0.00 4.85 0.00 1.96 2.04 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 125 G 9.12 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 0.00 0.00 0.00 0.00 126 V 8.87 4.98 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 1.05 0.00 0.00 1.00 0.00 0.00 127 T 8.91 5.25 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 1.37 0.00 0.00 128 T 8.97 4.91 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 1.16 0.00 0.00 129 L 8.87 4.92 0.00 1.45 0.83 0.95 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.66 4.96 0.00 1.72 1.54 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.38 7.81 131 F 8.67 5.29 0.00 2.99 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 0.00 132 D 9.26 4.48 0.00 2.77 2.65 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 0.00 133 P 0.00 4.31 0.00 2.11 2.14 0.00 3.77 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 2.06 2.16 0.00 134 N 9.01 4.61 0.00 2.81 2.89 0.00 0.00 6.85 7.58 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 0.00 135 T 7.97 4.37 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 1.25 0.00 0.00 136 Q 8.41 3.84 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 137 R 7.71 4.71 0.00 1.93 2.14 0.00 3.19 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 138 L 9.01 4.15 0.00 1.48 1.86 0.10 1.04 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 0.00 139 T 9.23 4.32 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 140 E 7.76 5.12 0.00 1.98 1.68 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 2.27 2.32 0.00 141 Q 9.42 5.02 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 142 V 8.63 4.69 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 0.84 0.00 0.00 0.97 0.00 0.00 143 D 8.61 5.38 0.00 2.41 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 0.00 0.00 0.00 144 L 8.68 4.94 0.00 1.61 1.47 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 *146 D 8.43 4.46 0.00 2.67 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 0.00 147 Y 7.75 4.46 0.00 3.09 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 0.00 148 Q 8.32 4.18 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 7.19 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 149 T 8.01 4.15 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 *151 S 8.26 4.40 0.00 3.94 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 0.00 152 D 8.40 4.40 0.00 2.87 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 0.00 153 Q 8.20 4.15 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 154 L 7.90 4.14 0.00 1.83 1.73 0.99 0.75 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 0.00 155 Q 7.91 4.02 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 156 S 7.44 4.58 0.00 4.07 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 0.00 157 Q 7.93 4.23 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.