NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.9963 8.2833 118.3727 52.9337 39.2938 172.7294 3 I 4.7322 9.3323 126.2930 59.3938 39.6481 173.1922 4 N 5.6512 10.0379 124.0751 51.5579 42.9096 173.0184 5 I 4.9144 8.8269 123.9818 59.6046 40.3062 174.6464 6 V 4.7072 9.2645 128.5897 61.6562 33.1718 174.7425 7 T 5.2807 8.4639 117.9204 59.1750 72.4896 172.8792 8 I 4.3891 8.3935 121.8947 61.6883 38.8909 176.8074 9 G 4.0164 8.9054 114.0584 45.3822 0.0000 172.3852 10 K 4.6850 8.0300 119.3741 54.2239 33.6090 176.9158 11 L 3.9264 8.9048 124.0598 55.2289 41.4129 176.5563 12 K 4.1596 8.2490 125.8473 58.2502 33.1742 176.6867 13 E 4.0659 8.1861 117.1121 56.5144 30.8515 178.4042 14 K 3.9840 8.7956 124.5280 59.5430 32.4330 178.5452 15 Y 4.1503 8.2060 117.8381 59.9776 37.8063 178.3126 16 L 3.7350 6.8527 120.2789 57.2783 41.8255 179.1841 17 K 3.9033 7.6139 118.5875 59.3927 31.9483 179.2198 18 Q 4.0041 8.4276 120.1730 59.0692 29.1713 178.3078 19 G 3.6649 8.0991 106.7279 48.0408 0.0000 175.6702 20 I 3.8157 8.1451 122.9805 63.8203 37.1028 177.8909 21 E 3.8751 8.2405 120.2693 59.5045 29.3971 178.3316 22 E 3.7262 8.1689 118.9252 59.6889 29.5959 178.3215 23 Y 3.9231 7.6954 116.1139 61.3310 37.9775 178.8925 24 T 3.7949 8.2843 116.9691 66.4798 68.3197 176.4358 25 K 3.8929 7.6035 120.2726 59.5279 32.5920 178.8318 26 R 4.0097 7.7527 118.1690 59.2947 30.0171 178.8872 27 L 4.3157 8.6876 120.8678 58.2690 41.7688 178.9844 28 S 4.5675 8.1988 115.5584 60.7833 62.7347 176.1585 29 A 4.0078 7.8774 122.6275 54.5956 18.1246 178.4727 30 Y 4.2590 7.7844 113.8910 59.6047 38.8452 174.8748 31 A 4.3357 7.2170 120.2230 51.2449 22.1627 173.8169 32 K 4.5670 8.2855 119.7167 55.8676 33.6936 175.6813 33 I 5.2362 8.3193 127.0228 59.6843 40.5025 174.5212 34 D 4.8123 9.1098 125.5927 52.6368 45.0059 174.6445 35 I 4.6715 8.4394 124.1232 59.6273 38.6866 175.6663 36 I 3.9190 8.7826 130.2905 60.9392 37.7332 175.3652 37 E 4.5673 8.8017 130.2257 54.5667 29.6913 174.6057 38 L 4.8670 8.0064 127.0239 52.8694 43.2593 174.4123 39 P 4.7291 0.0000 0.0000 63.1914 31.8295 175.3089 40 D 4.7807 8.6307 121.0703 52.3986 41.5340 172.8382 41 E 3.4573 7.9057 124.8017 56.3242 29.6888 174.7889 *51 D 4.3505 8.4743 119.5368 54.1738 42.9871 175.7680 *53 K 4.2547 7.7524 118.4835 56.3953 33.9620 176.8619 54 I 4.0924 7.5480 112.2361 64.3399 37.5002 177.8107 55 I 3.8980 7.6242 121.4229 63.5422 37.1777 177.8097 56 K 3.9128 7.8199 120.0750 59.6927 32.2538 178.4767 57 D 4.3467 8.4821 119.5258 57.2442 40.6963 178.9882 58 K 3.9801 7.9249 118.5566 59.4927 32.0978 179.0686 59 E 4.0685 8.5857 120.0043 59.1653 29.2241 179.0697 60 G 3.6579 8.3953 106.1753 47.5623 0.0000 175.0643 61 D 4.4846 7.9014 120.0724 56.3542 40.9053 178.8114 62 R 3.9634 7.7626 118.7771 58.9935 30.2581 178.4466 63 I 3.9187 7.7977 119.8827 64.3642 37.4390 178.1782 64 L 4.1324 7.6279 119.6746 57.8250 41.1373 179.7919 65 S 4.1859 7.8614 113.2218 60.8875 62.9202 175.4007 66 K 4.2413 8.1519 120.4395 57.0474 32.5322 176.7710 67 I 4.0299 7.2486 120.4925 60.3559 37.7909 175.7236 68 S 4.3306 8.5093 120.3089 57.2769 62.9386 173.1618 69 P 4.3669 0.0000 0.0000 65.1338 31.2683 177.0660 70 D 4.5473 7.9806 116.5445 55.3420 41.4014 176.8086 71 A 4.3645 7.5664 121.4761 52.0262 19.3313 176.7249 72 H 4.5799 9.0801 122.5520 55.4946 31.2302 174.1492 73 V 4.4521 9.0377 127.2032 61.8165 33.3114 174.6672 74 I 4.8841 8.7690 128.4388 59.5494 39.8390 174.1689 75 A 4.9043 8.5603 129.9861 50.6761 20.6203 175.9411 76 L 4.9811 8.8300 123.0267 54.3926 42.4341 176.4912 77 A 4.7026 8.6841 124.2943 50.7821 22.1860 176.6532 78 I 3.7778 8.5353 114.5452 63.8998 38.0280 177.4661 79 E 4.1027 8.2178 118.2286 56.6262 28.9146 176.3522 80 G 4.0061 7.5177 107.5056 44.6378 0.0000 175.3472 81 K 4.4884 8.5629 124.1791 56.3271 34.4134 177.0103 *83 K 4.5242 8.5660 125.4016 57.5752 33.7796 175.8115 84 T 4.3252 8.1269 111.9007 60.5243 70.6209 176.2303 85 S 4.1784 8.3696 117.0547 61.7082 62.6054 176.7860 86 E 3.9803 8.0427 120.9322 59.3675 29.1531 179.0477 87 E 3.9593 8.2889 118.9016 59.0827 29.5744 179.0708 88 L 3.9417 8.0853 120.4031 57.9246 42.1530 178.8852 89 A 3.8871 8.0199 120.9614 54.8567 18.2196 179.0579 90 D 4.1954 8.1373 116.6412 57.8140 41.3079 178.3414 91 T 3.8372 8.0417 116.4274 67.0115 68.5471 176.5051 92 I 3.6347 7.5799 121.1450 64.2879 36.9855 178.0654 93 D 4.2295 8.0567 118.8614 57.2252 40.7866 178.1767 94 K 3.9932 8.4172 120.5625 59.5651 31.9398 178.7385 95 L 4.0346 7.9756 118.3423 57.7264 41.5788 179.0419 96 A 4.1735 7.8602 119.9489 55.3885 18.3733 179.3557 97 T 3.8269 7.9489 113.7006 67.0982 68.6563 174.3001 98 Y 4.5476 7.8157 118.0866 56.0770 41.5232 176.2300 99 G 3.9984 8.5616 108.6409 46.9971 0.0000 175.5590 100 K 4.3764 7.4732 119.7841 56.4439 29.4590 176.7603 101 S 4.4180 8.1510 116.0730 59.0080 64.3246 175.0223 102 K 4.9921 7.9020 121.5002 53.9813 34.2154 175.2926 103 V 4.7381 8.4431 124.9070 61.3336 34.7035 174.1509 104 T 5.1664 8.7189 124.2123 61.8204 71.8306 172.8562 105 F 5.2395 9.7600 125.3114 55.8055 41.7734 174.8107 106 V 4.7675 8.8744 123.2960 61.2725 33.8450 174.2487 107 I 4.5655 8.9000 129.9926 59.3417 39.0980 175.9389 108 G 4.0185 8.7534 115.2418 46.2506 0.0000 170.4193 109 G 4.2773 8.0951 108.3644 43.2940 0.0000 173.7296 110 S 4.0521 8.6544 113.0507 61.7200 62.9145 175.6471 111 L 4.0486 8.1347 120.6692 58.3993 41.9158 176.1664 112 G 3.8099 6.5737 102.9925 44.1631 0.0000 172.3406 113 L 4.6840 8.1925 121.6193 52.4239 44.1757 176.3730 114 S 4.2467 8.6087 117.7493 58.4449 62.8627 174.7458 115 D 4.4212 8.6557 124.8969 57.5389 41.1743 178.4186 116 T 3.9905 7.9750 109.2810 64.7787 69.0037 177.9516 117 V 3.4323 7.4036 119.9143 62.7797 30.7990 177.5880 *119 K 4.2238 8.0781 119.3291 55.9189 33.8815 177.4415 120 R 3.9219 8.0336 118.0581 58.7905 30.1916 177.0433 121 A 3.9824 7.8047 119.9849 53.0861 18.6311 177.1530 122 D 4.6463 8.5556 122.6151 56.6592 41.6825 176.4646 123 E 4.7465 7.7193 113.8743 55.2989 32.8459 174.3540 124 K 5.0190 8.5287 120.4462 54.6982 34.9250 174.6661 125 L 5.1384 8.7730 127.2945 53.2374 44.8011 174.7266 126 S 5.2130 8.6659 120.5091 56.8252 63.7990 173.9334 127 F 4.1395 9.1362 125.0910 58.9810 39.5331 175.3132 128 S 4.5436 7.3373 111.8077 57.8551 64.5603 174.6464 129 K 4.2387 8.3698 121.0671 57.0376 32.2828 177.3926 *131 T 3.9653 7.7961 114.1937 63.4292 69.6426 173.7516 132 F 5.3683 8.2511 123.4606 54.8465 42.8253 173.2774 133 P 4.4998 0.0000 0.0000 62.4637 31.7548 177.5812 134 H 4.3338 8.7487 117.6209 58.3744 28.5238 176.8665 135 Q 4.0620 7.9205 119.6376 58.9204 28.9230 178.1768 136 L 4.6822 7.5850 120.2345 55.0574 41.9737 178.7193 *138 R 4.1016 8.1619 118.6438 55.9822 31.9813 176.7996 139 L 3.9510 7.3445 118.7098 58.0572 41.8962 179.0397 140 I 3.5877 7.7660 119.7803 64.1935 37.0359 177.9253 141 L 3.6586 7.5835 120.6342 58.1464 41.7219 179.0462 142 V 3.4656 7.5655 117.8793 65.9075 31.3998 177.4561 143 E 3.1716 7.5517 118.7279 59.1366 29.2557 178.5286 144 Q 3.9868 8.3466 119.8491 59.4142 29.1745 178.4122 145 I 3.8157 8.0023 120.9243 64.4645 37.0864 177.8059 146 Y 4.1693 8.2613 120.7267 60.6407 38.5555 178.0476 147 R 3.9805 8.4404 119.9092 59.1252 30.1134 178.2906 148 A 3.9144 8.2202 120.9426 55.2810 18.3590 179.6879 149 F 3.7235 8.1179 116.1431 60.4895 38.8236 178.1117 150 R 3.6789 7.5348 117.6951 59.1655 29.8411 179.0376 151 I 3.6771 7.8069 119.5276 64.6753 36.9309 178.2862 152 N 4.3557 8.0090 115.8423 56.1819 38.4313 176.9475 153 R 4.3514 8.3044 116.9472 55.9214 30.3008 176.6808 154 G 3.8783 7.9070 106.8445 46.6218 0.0000 173.4698 155 E 4.5645 8.2228 119.1287 53.5394 30.9706 174.4766 156 P 4.4531 0.0000 0.0000 62.9577 32.0500 175.6660 157 Y 4.3785 8.3711 123.3584 58.3178 38.7229 173.0008 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 2 N 8.28 5.00 0.00 2.82 3.08 0.00 0.00 6.05 6.80 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 3 I 9.33 4.73 2.00 0.00 0.00 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 1.36 0.81 1.31 0.00 0.00 4 N 10.04 5.65 0.00 2.73 2.72 0.00 0.00 6.68 6.86 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 5 I 8.83 4.91 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.92 0.93 0.00 0.00 6 V 9.26 4.71 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 0.97 0.00 0.00 0.96 0.00 0.00 7 T 8.46 5.28 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 1.21 0.00 0.00 8 I 8.39 4.39 1.75 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.10 0.90 0.00 0.00 9 G 8.91 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.03 4.68 0.00 1.73 1.73 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.50 7.81 11 L 8.90 3.93 0.00 1.55 1.58 0.88 0.66 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 12 K 8.25 4.16 0.00 1.69 1.73 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.45 7.81 13 E 8.19 4.07 0.00 1.85 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 2.43 2.37 0.00 14 K 8.80 3.98 0.00 1.85 1.86 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.50 7.81 15 Y 8.21 4.15 0.00 3.20 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 16 L 6.85 3.74 0.00 1.47 1.49 0.68 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.61 3.90 0.00 1.85 1.83 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.53 7.81 18 Q 8.43 4.00 0.00 2.30 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 19 G 8.10 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.15 3.82 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.84 0.91 0.00 0.00 21 E 8.24 3.88 0.00 2.19 1.93 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 2.29 2.46 0.00 22 E 8.17 3.73 0.00 1.95 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 0.00 1.95 1.94 0.00 23 Y 7.70 3.92 0.00 3.06 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 24 T 8.28 3.79 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 1.21 0.00 0.00 25 K 7.60 3.89 0.00 1.87 1.96 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.44 7.81 26 R 7.75 4.01 0.00 1.52 1.23 0.00 2.53 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.34 0.00 27 L 8.69 4.32 0.00 1.88 1.94 0.79 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.20 4.57 0.00 4.11 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 29 A 7.88 4.01 1.06 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 30 Y 7.78 4.26 0.00 2.65 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 31 A 7.22 4.34 1.02 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 0.00 0.00 32 K 8.29 4.57 0.00 1.86 1.70 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.64 1.47 7.81 33 I 8.32 5.24 1.89 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 1.36 0.66 0.95 0.00 0.00 34 D 9.11 4.81 0.00 2.58 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 35 I 8.44 4.67 1.88 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 1.36 0.59 0.91 0.00 0.00 36 I 8.78 3.92 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.61 0.92 0.00 0.00 37 E 8.80 4.57 0.00 1.96 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 2.21 2.40 0.00 38 L 8.01 4.87 0.00 1.93 1.76 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.73 0.00 2.09 2.10 0.00 3.75 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 1.99 1.97 0.00 40 D 8.63 4.78 0.00 2.77 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 41 E 7.91 3.46 0.00 1.95 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 2.25 2.22 0.00 *51 D 8.47 4.35 0.00 2.66 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 *53 K 7.75 4.25 0.00 1.85 1.81 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.44 7.81 54 I 7.55 4.09 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 1.64 0.34 0.91 0.00 0.00 55 I 7.62 3.90 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 1.52 0.67 0.91 0.00 0.00 56 K 7.82 3.91 0.00 1.82 1.98 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.53 7.81 57 D 8.48 4.35 0.00 2.74 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 58 K 7.92 3.98 0.00 2.09 1.85 0.00 1.55 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.49 7.81 59 E 8.59 4.07 0.00 2.14 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 0.00 2.30 2.32 0.00 60 G 8.40 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.90 4.48 0.00 2.85 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 62 R 7.76 3.96 0.00 2.01 2.07 0.00 3.25 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 63 I 7.80 3.92 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 1.52 0.61 0.92 0.00 0.00 64 L 7.63 4.13 0.00 1.94 1.73 0.92 0.57 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 65 S 7.86 4.19 0.00 4.06 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 66 K 8.15 4.24 0.00 1.85 1.91 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.55 7.81 67 I 7.25 4.03 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.64 0.90 0.00 0.00 68 S 8.51 4.33 0.00 3.86 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 69 P 0.00 4.37 0.00 2.08 2.10 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 70 D 7.98 4.55 0.00 2.69 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 71 A 7.57 4.36 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 72 H 9.08 4.58 0.00 3.19 3.14 0.00 5.58 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 9.04 4.45 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 0.85 0.00 0.00 0.93 0.00 0.00 74 I 8.77 4.88 1.38 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.31 1.02 0.00 0.00 75 A 8.56 4.90 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 L 8.83 4.98 0.00 1.70 1.67 1.13 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.68 4.70 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 78 I 8.54 3.78 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.84 0.87 0.00 0.00 79 E 8.22 4.10 0.00 1.96 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 2.31 2.36 0.00 80 G 7.52 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 81 K 8.56 4.49 0.00 1.76 1.62 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.46 7.81 *83 K 8.57 4.52 0.00 1.58 1.72 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.42 7.81 84 T 8.13 4.33 4.30 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 1.25 0.00 0.00 85 S 8.37 4.18 0.00 3.83 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 86 E 8.04 3.98 0.00 2.02 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 2.37 2.42 0.00 87 E 8.29 3.96 0.00 2.19 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 2.30 2.27 0.00 88 L 8.09 3.94 0.00 1.84 1.64 1.00 1.25 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 89 A 8.02 3.89 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 90 D 8.14 4.20 0.00 2.91 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 91 T 8.04 3.84 4.40 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 1.20 0.00 0.00 92 I 7.58 3.63 1.78 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.05 0.51 0.00 0.00 93 D 8.06 4.23 0.00 2.93 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 94 K 8.42 3.99 0.00 1.98 1.92 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.59 1.62 7.81 95 L 7.98 4.03 0.00 1.80 1.87 0.77 0.43 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 96 A 7.86 4.17 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 T 7.95 3.83 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 0.80 0.00 0.00 98 Y 7.82 4.55 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 99 G 8.56 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.47 4.38 0.00 2.02 1.81 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.17 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.52 7.81 101 S 8.15 4.42 0.00 4.02 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 0.00 102 K 7.90 4.99 0.00 1.74 1.78 0.00 1.90 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.65 1.28 7.81 103 V 8.44 4.74 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 0.77 0.00 0.00 0.97 0.00 0.00 104 T 8.72 5.17 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 1.26 0.00 0.00 105 F 9.76 5.24 0.00 2.95 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 0.00 106 V 8.87 4.77 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 1.08 0.00 0.00 0.95 0.00 0.00 107 I 8.90 4.57 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 1.14 1.31 0.89 0.00 0.00 108 G 8.75 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.10 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 0.00 110 S 8.65 4.05 0.00 4.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.13 4.05 0.00 1.63 1.80 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 112 G 6.57 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 0.00 113 L 8.19 4.68 0.00 1.60 1.56 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.61 4.25 0.00 4.05 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 0.00 115 D 8.66 4.42 0.00 2.68 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 0.00 116 T 7.97 3.99 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 0.00 117 V 7.40 3.43 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 0.95 0.00 0.00 0.96 0.00 0.00 *119 K 8.08 4.22 0.00 1.96 1.89 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.63 7.81 120 R 8.03 3.92 0.00 1.76 2.11 0.00 3.31 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 121 A 7.80 3.98 1.23 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 0.00 122 D 8.56 4.65 0.00 2.31 2.54 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 0.00 123 E 7.72 4.75 0.00 1.99 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 2.21 2.29 0.00 124 K 8.53 5.02 0.00 1.76 1.76 0.00 1.50 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 125 L 8.77 5.14 0.00 1.86 1.65 0.84 1.05 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 0.00 126 S 8.67 5.21 0.00 4.12 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 0.00 127 F 9.14 4.14 0.00 3.08 3.24 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 0.00 128 S 7.34 4.54 0.00 3.81 3.20 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 0.00 129 K 8.37 4.24 0.00 1.76 1.78 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.43 7.81 *131 T 7.80 3.97 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 1.22 0.00 0.00 132 F 8.25 5.37 0.00 2.97 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 0.00 133 P 0.00 4.50 0.00 2.17 1.96 0.00 3.66 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 134 H 8.75 4.33 0.00 3.20 3.47 0.00 5.73 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 7.92 4.06 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.32 0.00 0.00 0.00 0.00 0.00 2.37 2.22 0.00 136 L 7.58 4.68 0.00 1.72 1.79 0.87 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 *138 R 8.16 4.10 0.00 2.01 2.05 0.00 3.20 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 139 L 7.34 3.95 0.00 1.65 1.77 1.07 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.77 3.59 1.74 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.53 1.01 0.00 0.00 141 L 7.58 3.66 0.00 1.25 1.59 0.26 0.66 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 0.00 142 V 7.57 3.47 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 1.06 0.00 0.00 0.94 0.00 0.00 143 E 7.55 3.17 0.00 1.16 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 1.59 2.14 0.00 144 Q 8.35 3.99 0.00 2.49 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 145 I 8.00 3.82 2.04 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.76 1.23 0.00 0.00 146 Y 8.26 4.17 0.00 3.00 3.25 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 0.00 147 R 8.44 3.98 0.00 2.31 2.16 0.00 3.28 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 148 A 8.22 3.91 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 0.00 149 F 8.12 3.72 0.00 2.86 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 0.00 150 R 7.53 3.68 0.00 1.86 1.83 0.00 3.15 0.00 0.00 2.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.68 0.00 151 I 7.81 3.68 1.99 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 1.50 1.00 0.87 0.00 0.00 152 N 8.01 4.36 0.00 2.65 2.80 0.00 0.00 7.16 7.93 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 0.00 153 R 8.30 4.35 0.00 1.90 2.12 0.00 3.64 0.00 0.00 3.37 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.29 0.00 154 G 7.91 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 0.00 155 E 8.22 4.56 0.00 2.09 1.93 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 2.35 2.31 0.00 156 P 0.00 4.45 0.00 2.23 2.11 0.00 3.86 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 157 Y 8.37 4.38 0.00 2.82 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 * Residues marked with a * may have inaccurate shift predictions.