NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 A 4.4133 8.1227 122.4636 51.9809 20.6261 175.2355 21 Q 4.8180 8.5224 121.0467 54.0602 32.5004 172.3701 22 I 4.7838 9.9136 128.1261 59.7191 41.3432 173.4140 23 D 5.3003 9.5424 127.5923 52.6807 43.2856 175.5393 24 L 5.0704 9.2557 124.1802 53.0385 43.8801 174.9777 25 N 5.3383 9.2559 123.3618 52.4690 39.5096 174.6633 26 I 5.4856 8.5480 117.4893 58.6617 40.5772 175.2103 27 T 4.7343 8.4519 119.5450 62.0030 70.7098 175.1582 28 C 4.5310 8.9518 120.0823 57.7609 40.0164 173.6998 29 R 4.8103 8.8410 120.7888 55.5146 31.6732 175.5870 30 F 4.8462 9.3864 123.0952 55.3293 41.0812 175.8852 31 A 4.1545 9.2438 130.2091 51.9318 16.6638 177.6196 32 G 3.6735 8.1033 109.1184 45.4949 0.0000 172.9754 33 V 4.8729 7.6168 120.9394 61.7063 33.1119 174.8150 34 F 5.3785 8.8342 121.6850 55.5548 42.1975 172.5747 35 H 5.1947 9.2505 119.3113 54.5710 32.4209 173.1917 36 V 4.8535 8.4080 125.2051 61.0169 34.3043 173.4607 37 E 4.8924 9.1560 129.1854 54.2795 32.0879 174.1112 38 K 4.7617 8.7235 127.9489 55.4691 34.2085 175.8647 39 N 4.1210 9.8150 125.4122 54.3651 36.6727 174.2816 40 G 4.1915 8.3193 102.1552 46.0506 0.0000 173.9691 41 R 4.2753 7.4129 115.9408 54.7373 33.2906 173.8343 42 Y 4.5091 8.2220 120.8057 59.1551 37.6075 176.9787 43 S 4.6125 8.7226 116.2995 58.8287 65.0485 173.5433 44 I 4.4769 8.3220 123.7075 59.8112 38.4919 175.9234 45 S 4.8261 8.4552 120.8428 57.4246 65.5621 174.8800 46 R 2.5100 8.0163 121.4325 59.3993 29.5601 178.4509 47 T 3.8726 7.6006 109.0078 64.7390 69.0056 176.1991 48 E 4.0266 8.2046 121.9641 58.6229 29.5376 178.4631 49 A 4.0113 8.2729 121.1693 55.2604 18.4688 179.3723 50 A 3.9688 7.7870 118.6374 55.5979 18.4302 179.6362 51 D 4.4437 8.2563 117.3683 57.3204 40.5549 178.8663 52 L 3.6594 8.6099 121.3234 58.2248 42.1188 178.3081 53 C 4.4990 8.5292 116.7578 59.9614 37.4117 175.7431 54 K 3.9488 8.1673 120.9834 59.8606 31.6820 178.5398 55 A 4.4826 8.2368 121.6033 53.7680 17.8977 178.4311 56 F 4.7074 7.5089 114.3444 56.3090 39.6111 175.3428 57 N 4.2818 8.6891 115.1352 54.4895 36.3477 173.3479 58 S 5.1272 8.4116 112.0925 57.4271 68.0212 173.7188 59 T 4.8851 8.7144 109.5672 59.6809 72.4683 173.4551 60 L 4.4366 8.5623 122.5092 54.3833 42.2471 175.6909 61 P 4.7641 0.0000 0.0000 61.8228 32.8995 177.1243 62 T 4.4744 8.5309 117.6418 61.4785 67.5378 175.5907 *64 A 4.3581 8.8814 121.9651 52.3151 20.1334 180.1233 65 Q 3.9139 7.5419 112.2771 56.4852 28.1896 178.3074 *67 E 4.2603 8.3032 119.8791 56.4080 31.5627 178.3136 68 K 3.9262 8.1679 118.1513 59.3481 32.5390 178.3868 69 A 4.2189 7.9968 121.0495 55.1589 18.2416 179.0392 70 L 4.1882 8.3601 119.9319 57.8300 41.8549 179.3058 71 S 4.2443 8.2369 112.5110 60.2040 62.7866 174.7968 72 I 4.4237 7.7018 115.2110 60.7573 37.5218 176.0549 73 G 4.0108 8.5384 108.1577 46.0534 0.0000 173.6878 74 F 3.6016 7.9864 122.5260 56.7848 39.6437 174.1037 75 E 4.6263 7.5822 127.3873 54.8883 32.7606 174.0544 76 T 4.4872 7.9319 118.9174 62.5200 72.8688 173.0839 77 C 4.8539 8.3280 121.7404 55.9556 44.0294 174.1508 78 R 4.8893 7.4602 116.2649 54.4686 33.9400 175.6792 79 Y 4.5593 9.1418 122.3565 58.2044 39.2251 175.1877 80 G 4.5596 9.2599 109.5326 44.4791 0.0000 172.1089 81 F 4.9513 9.0182 121.4289 57.6343 40.1936 174.3380 82 I 5.0719 8.9933 122.3318 58.6304 42.4088 173.6913 83 E 3.9428 8.8171 125.2760 57.6012 29.2908 177.1233 84 G 3.9198 10.1888 114.8770 46.0311 0.0000 171.9299 85 H 4.8250 7.7449 114.0531 54.6720 33.3592 171.9504 86 V 4.6251 8.1617 120.1685 61.4213 33.6663 174.7810 87 V 5.1496 8.7055 119.9083 59.8046 36.8324 174.2675 88 I 4.8702 8.4519 121.2249 59.0324 41.4570 171.8586 89 P 4.7601 0.0000 0.0000 62.2947 32.8857 175.0922 90 R 4.7532 8.9356 123.5571 54.6057 33.1162 175.3737 91 I 4.0363 8.7839 122.4128 63.1326 39.4678 175.9740 92 H 4.2923 8.7098 116.9278 54.7313 28.9868 173.5578 93 P 4.3592 0.0000 0.0000 62.0989 31.3331 175.3258 94 N 4.9082 8.3845 121.8623 51.3866 41.5132 175.0389 95 S 4.2443 8.8395 121.9868 61.2367 63.0897 175.4943 96 I 4.2480 8.0240 117.6743 60.5243 37.5475 174.3636 97 C 4.6107 8.3659 117.4887 55.7031 42.6768 173.8604 98 A 3.1511 9.0818 130.3704 53.6813 15.9787 176.1435 99 A 4.2367 8.7595 115.6468 53.2588 16.2861 178.3651 100 N 4.4453 7.8352 115.7263 54.4679 38.9351 173.8073 101 N 4.5884 7.6799 113.8888 54.2143 39.2304 174.0094 102 T 4.4978 7.9449 113.0257 61.3794 70.9254 174.3838 103 G 3.6721 8.9965 112.9837 44.1596 0.0000 172.5218 104 V 4.2644 7.9200 119.6083 62.3574 31.4176 175.1508 105 Y 4.4352 8.8402 130.3576 56.5341 40.2696 173.9772 106 I 4.4682 7.4036 127.5332 59.6409 38.5414 175.1213 107 L 4.0549 8.5976 131.2278 55.1509 41.6607 176.9233 108 T 4.0534 8.6010 117.1546 63.4108 69.5167 175.1075 109 S 4.5488 7.6870 117.3872 56.4339 61.9711 173.6631 110 N 5.0280 7.8571 131.4108 52.3969 37.7303 176.9202 111 T 4.1915 8.1856 116.7053 66.7003 69.8186 175.4660 112 S 4.7865 7.7825 116.9622 57.5831 63.3123 172.5424 113 Q 4.8057 8.0377 117.4683 55.2422 30.1921 174.8341 114 Y 4.2528 8.7489 118.3416 57.6896 42.4528 172.6957 115 D 5.4575 8.7364 121.4667 54.9352 44.3297 175.4403 116 T 5.1664 8.2033 112.1867 61.7126 71.2739 173.6960 117 Y 5.1006 8.6597 123.6643 56.9399 40.2719 174.4759 118 C 5.1005 8.5979 117.7658 55.2073 42.8945 172.8413 119 F 5.2416 9.4554 123.4618 56.5409 42.0454 173.1746 120 N 4.7676 8.6851 125.9015 51.7337 39.3943 175.4846 121 A 3.8828 8.6628 130.5087 54.4280 18.7709 177.7952 122 S 4.5986 7.7666 108.4646 57.9644 63.3575 174.1441 123 A 4.2020 7.2312 123.2419 51.1438 18.9249 176.5944 124 P 4.3966 0.0000 0.0000 62.2381 31.9884 175.5135 125 P 4.5556 0.0000 0.0000 64.7400 33.0114 176.7650 126 E 4.7319 7.5598 114.2818 56.4654 32.4061 177.9418 127 E 4.5746 8.8618 130.7055 55.4587 30.7826 172.8727 128 D 4.7013 8.9297 126.9004 52.7302 43.7440 175.0466 129 C 4.8030 8.6915 122.0115 56.6184 40.9611 174.0952 130 T 3.8945 7.9036 116.8837 63.9703 68.4616 174.1864 131 S 4.2505 8.5864 121.9623 58.8202 63.3475 173.8359 132 V 4.0071 8.8448 126.0539 61.8650 31.6631 175.4364 133 T 3.7236 7.9011 116.3993 60.7217 69.0278 172.9513 134 D 4.3119 7.3842 119.9136 53.2169 41.3338 175.1455 135 L 4.0450 7.8687 121.7285 52.7229 40.8953 174.8168 136 P 4.4054 0.0000 0.0000 64.6232 31.6944 176.4382 137 N 5.1336 8.3344 118.9458 53.0694 39.4949 174.3058 138 A 4.3757 7.6199 117.6089 51.1663 20.3937 176.9275 139 F 5.1472 7.9621 114.3080 54.6612 41.5778 174.1994 140 D 4.7853 9.2277 118.1810 54.6348 41.0697 176.6479 141 G 4.1265 8.1184 109.5961 45.9959 0.0000 170.7915 142 P 4.7294 0.0000 0.0000 62.7025 32.1874 175.9082 143 I 4.1073 7.4392 121.6510 61.5016 38.5261 175.4426 144 T 4.5593 8.8297 124.0671 63.6651 69.1745 173.4674 145 I 4.8653 8.8243 129.2072 59.9951 39.3799 175.0805 146 T 5.0713 9.0297 124.7975 61.8398 71.0679 173.5289 147 I 4.6798 8.9179 128.5078 60.3965 39.0033 174.9484 148 V 4.6526 9.0123 127.9501 61.2303 33.5832 175.3971 149 N 5.1889 8.6741 126.3397 52.0242 39.6063 176.5411 150 R 3.9390 8.5258 115.4194 58.9339 29.4296 177.0878 151 D 4.6107 8.1752 116.3510 52.8608 39.6281 177.3546 152 G 3.9506 8.2896 108.5050 45.8521 0.0000 174.4756 153 T 3.8013 7.7713 117.8987 63.7620 68.8757 173.1965 154 R 4.8680 8.0118 124.9642 54.8552 32.3306 175.3576 155 Y 4.7365 8.6788 119.8103 56.2413 41.6605 174.5773 156 V 5.1417 8.6609 123.6307 61.2365 34.6810 174.1385 157 Q 4.6894 8.9082 123.4729 54.9356 32.8299 173.1287 158 K 4.9153 8.2934 118.8782 54.8082 34.0239 176.9139 159 G 3.9367 8.3421 112.1498 46.6441 0.0000 171.2851 160 E 4.6086 7.5354 119.2805 55.2676 32.7359 176.1388 161 Y 4.1232 7.2516 119.1550 55.9586 39.6131 175.6420 162 R 4.1572 7.7886 121.1824 55.9705 30.6232 176.0690 163 T 4.5138 8.9145 116.1205 61.4793 69.2518 173.0058 164 N 4.9552 7.8554 120.3325 51.2699 40.7081 173.3052 165 P 4.3356 0.0000 0.0000 66.0680 31.0852 178.3227 166 E 3.9765 8.1824 117.2720 59.0764 29.3379 178.3333 167 D 4.6231 7.8969 117.8610 56.2850 41.2979 178.7365 168 I 3.8738 7.5114 119.3240 64.3592 37.5113 175.1968 169 Y 4.0975 8.1719 124.0094 57.8708 38.5927 175.4553 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 20 A 8.12 4.41 1.25 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 0.00 0.00 21 Q 8.52 4.82 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.47 0.00 22 I 9.91 4.78 1.97 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 1.30 0.55 1.07 0.00 0.00 23 D 9.54 5.30 0.00 2.60 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 24 L 9.26 5.07 0.00 1.72 1.76 0.80 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 25 N 9.26 5.34 0.00 2.75 2.80 0.00 0.00 6.32 7.91 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 26 I 8.55 5.49 1.84 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.82 1.03 0.00 0.00 27 T 8.45 4.73 4.81 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 1.72 0.00 0.00 28 C 8.95 4.53 0.00 3.13 3.07 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 29 R 8.84 4.81 0.00 1.69 1.81 0.00 2.91 0.00 0.00 2.71 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 30 F 9.39 4.85 0.00 2.57 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 31 A 9.24 4.15 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 32 G 8.10 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.62 4.87 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 0.73 0.00 0.00 1.19 0.00 0.00 34 F 8.83 5.38 0.00 3.15 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 35 H 9.25 5.19 0.00 3.64 3.45 0.00 5.61 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 36 V 8.41 4.85 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 1.02 0.00 0.00 0.92 0.00 0.00 37 E 9.16 4.89 0.00 2.09 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 2.23 2.46 0.00 38 K 8.72 4.76 0.00 1.97 1.75 0.00 2.16 0.00 0.00 1.94 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.55 7.81 39 N 9.81 4.12 0.00 2.90 2.89 0.00 0.00 7.05 7.25 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 40 G 8.32 4.19 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 0.00 41 R 7.41 4.28 0.00 1.65 1.76 0.00 3.31 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 42 Y 8.22 4.51 0.00 3.00 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 43 S 8.72 4.61 0.00 3.98 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 44 I 8.32 4.48 2.24 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.96 1.06 0.00 0.00 45 S 8.46 4.83 0.00 4.03 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 46 R 8.02 2.51 0.00 1.37 1.73 0.00 3.14 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.30 0.00 47 T 7.60 3.87 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 1.18 0.00 0.00 48 E 8.20 4.03 0.00 2.27 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 0.00 2.56 2.58 0.00 49 A 8.27 4.01 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 50 A 7.79 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.26 4.44 0.00 3.05 3.17 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 52 L 8.61 3.66 0.00 1.87 1.93 0.22 1.03 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 53 C 8.53 4.50 0.00 3.07 3.21 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 54 K 8.17 3.95 0.00 2.04 2.11 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.61 7.81 55 A 8.24 4.48 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 56 F 7.51 4.71 0.00 3.37 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 57 N 8.69 4.28 0.00 2.89 2.94 0.00 0.00 6.64 7.49 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 58 S 8.41 5.13 0.00 4.02 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 0.00 59 T 8.71 4.89 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 60 L 8.56 4.44 0.00 1.79 1.82 0.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.76 0.00 2.09 1.99 0.00 3.70 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 62 T 8.53 4.47 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 *64 A 8.88 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 65 Q 7.54 3.91 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.33 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 *67 E 8.30 4.26 0.00 2.14 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 2.27 2.23 0.00 68 K 8.17 3.93 0.00 1.82 2.02 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.56 7.81 69 A 8.00 4.22 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 70 L 8.36 4.19 0.00 1.72 1.90 0.91 1.11 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 71 S 8.24 4.24 0.00 4.09 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.70 4.42 2.01 0.00 0.00 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 1.57 1.18 1.03 0.00 0.00 73 G 8.54 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 74 F 7.99 3.60 0.00 2.49 2.81 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 75 E 7.58 4.63 0.00 1.72 1.54 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 2.01 2.34 0.00 76 T 7.93 4.49 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 1.20 0.00 0.00 77 C 8.33 4.85 0.00 2.80 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 78 R 7.46 4.89 0.00 1.58 2.01 0.00 3.65 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 79 Y 9.14 4.56 0.00 2.79 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 9.26 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.02 4.95 0.00 3.23 3.06 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 82 I 8.99 5.07 1.98 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 1.14 1.53 0.99 0.00 0.00 83 E 8.82 3.94 0.00 2.07 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 2.32 2.31 0.00 84 G 10.19 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 85 H 7.74 4.82 0.00 3.19 3.09 0.00 5.57 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.16 4.63 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 0.10 0.00 0.00 0.37 0.00 0.00 87 V 8.71 5.15 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 0.65 0.00 0.00 0.84 0.00 0.00 88 I 8.45 4.87 1.21 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.27 0.87 0.00 0.00 89 P 0.00 4.76 0.00 2.08 2.03 0.00 3.55 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 90 R 8.94 4.75 0.00 1.81 1.82 0.00 3.25 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.59 0.00 91 I 8.78 4.04 1.87 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 1.36 0.54 0.78 0.00 0.00 92 H 8.71 4.29 0.00 3.04 3.20 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.36 0.00 2.02 2.08 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 94 N 8.38 4.91 0.00 2.61 2.55 0.00 0.00 7.14 7.63 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 95 S 8.84 4.24 0.00 3.90 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 0.00 96 I 8.02 4.25 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 1.30 0.82 0.92 0.00 0.00 97 C 8.37 4.61 0.00 2.83 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 98 A 9.08 3.15 0.75 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 99 A 8.76 4.24 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.84 4.45 0.00 2.84 2.94 0.00 0.00 7.05 7.46 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 0.00 101 N 7.68 4.59 0.00 2.49 2.72 0.00 0.00 6.59 7.14 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 0.00 102 T 7.94 4.50 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 1.20 0.00 0.00 103 G 9.00 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.92 4.26 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 0.70 0.00 0.00 0.94 0.00 0.00 105 Y 8.84 4.44 0.00 3.13 2.80 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 0.00 106 I 7.40 4.47 1.55 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.49 0.72 0.00 0.00 107 L 8.60 4.05 0.00 1.16 1.30 0.56 -0.07 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 0.00 108 T 8.60 4.05 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 1.11 0.00 0.00 109 S 7.69 4.55 0.00 3.98 3.92 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 0.00 0.00 0.00 110 N 7.86 5.03 0.00 2.63 2.84 0.00 0.00 6.45 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 0.00 111 T 8.19 4.19 4.27 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 1.24 0.00 0.00 112 S 7.78 4.79 0.00 3.70 3.21 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 0.00 113 Q 8.04 4.81 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.48 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 114 Y 8.75 4.25 0.00 2.49 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 0.00 115 D 8.74 5.46 0.00 2.83 2.81 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 0.00 116 T 8.20 5.17 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 1.22 0.00 0.00 117 Y 8.66 5.10 0.00 2.99 2.92 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 0.00 0.00 0.00 118 C 8.60 5.10 0.00 1.23 2.47 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 0.00 119 F 9.46 5.24 0.00 3.03 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 0.00 120 N 8.69 4.77 0.00 2.91 2.55 0.00 0.00 6.65 8.08 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 0.00 121 A 8.66 3.88 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.77 4.60 0.00 3.95 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 0.00 123 A 7.23 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.40 0.00 1.98 1.96 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 125 P 0.00 4.56 0.00 2.17 2.10 0.00 3.51 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 2.10 2.10 0.00 126 E 7.56 4.73 0.00 1.79 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 2.27 2.19 0.00 127 E 8.86 4.57 0.00 1.43 1.56 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 1.79 1.47 0.00 128 D 8.93 4.70 0.00 2.66 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 C 8.69 4.80 0.00 2.94 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 0.00 130 T 7.90 3.89 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 1.14 0.00 0.00 131 S 8.59 4.25 0.00 3.83 3.78 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 0.00 132 V 8.84 4.01 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 0.89 0.00 0.00 0.73 0.00 0.00 133 T 7.90 3.72 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 0.45 0.00 0.00 134 D 7.38 4.31 0.00 2.72 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 0.00 135 L 7.87 4.05 0.00 1.46 1.42 -0.53 0.45 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 0.00 136 P 0.00 4.41 0.00 2.22 2.16 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 137 N 8.33 5.13 0.00 2.93 2.93 0.00 0.00 6.92 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.62 4.38 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 0.00 139 F 7.96 5.15 0.00 3.08 3.17 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 0.00 140 D 9.23 4.79 0.00 2.71 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 0.00 141 G 8.12 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 0.00 142 P 0.00 4.73 0.00 2.18 2.16 0.00 3.75 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 1.92 1.97 0.00 143 I 7.44 4.11 1.94 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 1.26 0.87 0.96 0.00 0.00 144 T 8.83 4.56 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 1.22 0.00 0.00 145 I 8.82 4.87 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.69 0.90 0.00 0.00 146 T 9.03 5.07 4.46 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 1.22 0.00 0.00 147 I 8.92 4.68 2.06 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 1.19 0.97 1.12 0.00 0.00 148 V 9.01 4.65 2.25 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 1.07 0.00 0.00 0.96 0.00 0.00 149 N 8.67 5.19 0.00 2.99 2.80 0.00 0.00 6.35 9.01 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 0.00 150 R 8.53 3.94 0.00 1.97 2.14 0.00 3.07 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 151 D 8.18 4.61 0.00 2.81 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 0.00 152 G 8.29 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 T 7.77 3.80 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 0.90 0.00 0.00 154 R 8.01 4.87 0.00 1.53 1.76 0.00 3.27 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 155 Y 8.68 4.74 0.00 3.01 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 0.00 156 V 8.66 5.14 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 0.88 0.00 0.00 0.92 0.00 0.00 157 Q 8.91 4.69 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.55 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 158 K 8.29 4.92 0.00 1.64 1.91 0.00 1.91 0.00 0.00 1.76 0.00 0.00 2.73 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.36 7.81 159 G 8.34 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 0.00 160 E 7.54 4.61 0.00 1.86 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.01 0.00 161 Y 7.25 4.12 0.00 2.95 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 0.00 162 R 7.79 4.16 0.00 1.66 1.79 0.00 2.96 0.00 0.00 3.06 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.50 0.00 163 T 8.91 4.51 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 164 N 7.86 4.96 0.00 2.75 2.84 0.00 0.00 6.96 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 0.00 165 P 0.00 4.34 0.00 2.30 2.31 0.00 3.76 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 2.06 2.05 0.00 166 E 8.18 3.98 0.00 2.06 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 0.00 2.33 2.61 0.00 167 D 7.90 4.62 0.00 2.79 2.88 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 0.00 168 I 7.51 3.87 1.90 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 1.48 0.44 0.91 0.00 0.00 169 Y 8.17 4.10 0.00 2.91 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.