NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6761 8.3644 120.2251 54.4215 43.4746 176.5158 3 F 4.1951 8.0612 120.9458 60.4737 39.7467 175.6332 4 L 3.3472 8.3479 121.4558 57.5266 42.4007 179.0179 5 R 4.2341 8.1563 116.3680 58.6061 30.0896 177.3276 6 S 4.5595 7.2777 109.8356 57.4458 63.5178 174.3400 7 L 3.4447 6.9328 120.6990 55.4443 41.5619 176.5172 8 D 4.5225 8.1511 123.3450 52.7728 40.4724 174.8466 9 W 4.8429 8.4817 126.6619 55.8711 30.6225 175.9773 10 T 4.6209 9.3809 122.1207 61.8711 70.1922 173.5479 11 Q 4.2040 8.8236 128.6877 55.6981 28.8181 175.5409 12 V 3.9826 8.2146 120.8741 62.6318 32.8154 175.9752 13 I 4.4455 7.0011 117.2068 58.5505 41.1518 173.3234 14 A 3.9471 8.3644 126.3021 53.7016 18.2239 178.2942 15 G 3.9358 9.0618 111.5287 45.5638 0.0000 172.2740 16 Q 4.9247 7.6327 119.2908 54.1008 31.7337 174.3420 17 Y 5.3448 9.0119 121.0837 56.2572 42.2282 174.9983 18 V 5.2542 9.2418 115.1475 59.7961 35.7021 174.9277 19 S 4.6892 8.7746 117.1986 55.9901 66.6061 173.2437 20 N 5.2236 8.2373 114.9275 50.4662 38.7508 171.7781 21 P 4.8434 0.0000 0.0000 62.2709 33.9608 177.2422 22 R 4.9348 8.6182 118.1069 53.3342 33.1224 175.0693 23 F 4.9012 7.9471 116.4409 55.7857 41.4063 173.1783 24 N 4.8119 8.8571 118.2919 53.2063 39.3974 175.9904 25 I 3.9361 8.0727 124.0576 64.7966 37.2948 178.3226 26 S 5.1194 7.9445 110.6267 59.4632 63.2229 174.8132 27 D 4.3415 7.9774 121.0706 56.6578 40.8099 176.4057 28 Y 4.7214 7.9651 114.1315 57.3625 41.2458 175.4129 29 F 5.4894 8.5579 117.1120 55.5591 43.9336 173.3785 30 E 4.7223 9.3494 123.5449 55.4738 31.0493 175.2058 31 I 4.4788 8.4950 128.2254 60.9142 38.0711 175.9051 32 V 4.1625 8.4454 129.3012 61.0552 31.9061 175.3103 33 R 4.4654 8.5341 126.7348 56.4749 30.6761 176.2564 34 Q 4.6304 8.4406 120.1465 53.0146 32.4465 173.7008 35 P 4.4927 0.0000 0.0000 62.9429 31.8787 176.1108 36 G 4.1530 8.1370 106.0025 45.0464 0.0000 175.3692 37 D 4.0838 8.1650 121.1770 54.1967 39.6203 176.4796 38 G 4.0641 6.9893 106.8720 45.9319 0.0000 174.8974 39 N 4.9415 9.1094 117.5266 53.1417 38.7242 176.1398 40 C 4.0987 8.0064 119.3948 61.5648 29.4564 175.3892 41 F 3.7037 8.1750 122.4318 61.3387 38.9016 176.5865 42 Y 4.0834 7.8053 115.5536 60.8955 37.8022 177.4184 43 H 4.2843 8.4954 117.7332 59.1333 28.6144 177.9086 44 S 4.1113 7.9708 115.6759 61.7063 62.8478 176.4995 45 I 3.6574 7.2303 121.7284 64.2493 36.6783 178.4099 46 A 4.0638 7.8158 121.2511 54.9390 18.0267 178.9416 47 E 3.9310 8.3896 117.5588 58.9943 29.6596 178.2311 48 L 4.7513 7.5629 115.3647 54.4521 42.4694 176.6462 49 T 4.5920 7.5818 108.7111 60.6188 69.5113 171.8096 *51 P 3.9874 0.0000 0.0000 64.7270 32.6463 175.7034 52 N 4.0713 8.9204 120.7878 53.8289 37.2001 174.3359 53 K 3.9937 7.9868 117.8228 57.2740 33.5374 175.3049 54 T 4.8660 8.2631 115.7667 60.3305 71.2657 173.7104 55 D 4.7664 8.7390 119.5135 56.5436 41.0187 176.4166 56 H 4.8352 8.2739 115.9329 55.7179 30.2833 176.5741 57 S 4.3724 7.9122 115.5546 61.4664 62.4904 175.8531 58 Y 4.2834 8.1091 120.2533 60.3156 37.5563 177.7968 59 H 3.7050 6.6914 117.9939 59.1967 28.6230 177.1178 60 Y 4.2052 7.7118 118.1104 60.9583 37.6487 178.6381 61 I 3.8528 7.7557 120.4199 64.4248 37.4272 178.2769 62 K 3.7377 8.1770 119.3977 59.5021 31.8151 179.3602 63 R 3.9186 8.0781 118.9274 59.3351 30.0036 178.5008 64 L 4.1243 8.4207 119.1618 58.0314 41.4780 179.7665 65 T 4.0343 8.0924 115.9596 66.4089 68.4459 176.2733 66 E 3.9583 8.1561 121.2217 59.5389 29.4181 178.7611 67 S 4.1191 8.0879 112.7056 61.4487 62.3001 176.0602 68 A 4.5873 8.5879 124.6335 54.5845 18.1414 179.4465 69 A 4.0726 8.5948 119.7812 55.5670 18.2973 180.0489 70 R 3.9898 7.9337 115.2977 59.1929 30.1343 178.9193 71 K 3.9785 7.4600 115.8821 57.9911 32.5868 177.3159 72 Y 4.8528 8.0551 115.1095 58.2887 40.7712 177.1167 73 Y 3.9962 8.5323 121.7367 60.6622 38.8294 177.7352 74 Q 4.1138 8.1649 118.1342 57.7663 29.2494 175.7872 75 E 4.5858 8.0894 114.7461 56.0470 30.8666 175.6984 76 E 4.2666 7.8561 120.4945 54.8941 30.8263 175.5794 77 P 4.1857 0.0000 0.0000 65.5724 31.4087 178.3323 78 E 3.9740 8.1249 117.2582 58.8132 29.5308 178.4311 79 A 3.9349 7.6105 120.8931 54.6971 17.9537 179.4759 80 R 3.8358 7.4527 115.9142 59.5628 30.1646 178.6153 81 L 4.1213 7.4684 117.4970 57.8946 41.7021 179.5076 82 V 3.8560 7.6507 116.6844 64.2224 31.6600 176.8530 83 G 3.9435 8.2733 104.6659 46.1035 0.0000 172.8459 84 L 4.7506 7.3163 118.5246 52.4062 43.6918 177.3544 85 S 4.4639 8.4035 116.8759 58.1206 64.8475 175.2581 86 L 3.6102 8.4812 123.3791 58.5782 41.8274 178.9949 87 E 3.9930 8.1043 117.7269 59.1996 29.5158 178.8462 88 D 4.3558 8.0060 118.8860 57.2520 40.6371 178.1174 89 Y 3.9590 8.1758 119.7932 60.4700 38.8214 177.6629 90 L 3.8313 7.7657 118.8902 57.4776 41.8296 178.9257 91 K 3.9801 7.5496 118.0999 59.5098 32.4930 180.2516 92 R 3.8536 7.6173 116.4525 56.7834 29.8317 177.6660 *94 L 4.2379 7.8816 116.5477 53.5783 43.9781 177.6429 95 S 4.2081 7.5590 115.8757 58.1092 63.2985 173.5667 96 D 4.5714 8.6173 123.9357 56.3512 40.9244 176.4901 97 N 4.4463 8.7572 119.4106 53.7119 36.8289 173.8096 98 E 4.2046 8.0090 119.9327 55.3649 29.9521 176.8307 99 W 4.6113 9.0273 126.6383 57.0692 29.7381 175.9772 100 G 3.4516 8.2949 110.8561 44.4860 0.0000 171.9574 101 S 4.4186 6.8234 112.3707 56.3954 65.8118 175.6022 102 T 3.7548 8.3707 109.9340 64.5910 67.9741 175.9691 103 L 3.7660 7.3718 122.7305 58.3052 42.2530 178.5893 104 E 4.1095 7.8977 116.1918 59.0687 29.7631 178.7021 105 A 4.2288 7.6338 120.9891 55.1478 18.5585 179.6914 106 S 3.5177 7.0059 107.1792 59.7262 61.5415 175.4691 *108 L 4.3648 7.8403 121.5175 54.7161 43.6044 178.8964 109 A 3.8711 7.8219 121.0781 55.1488 18.6701 179.9401 110 K 3.7004 7.4758 113.6123 59.7168 32.0831 178.9186 111 E 4.1126 7.7138 115.1638 57.5818 29.2491 177.3527 *113 G 3.7660 7.7755 104.4994 45.2197 0.0000 171.9496 114 I 4.7628 7.6702 110.7658 59.2393 41.9202 175.2050 115 T 4.6794 8.3051 118.4631 62.3644 70.2256 173.9966 116 I 4.9341 8.7116 127.2603 59.5134 40.2380 174.5143 117 I 4.6520 8.4893 127.3552 59.4365 39.9854 174.4511 118 I 4.8741 8.5891 128.0473 59.4471 39.5030 174.6161 119 W 5.3139 9.4542 127.4720 55.4361 31.6448 175.2920 120 T 5.1508 9.3348 120.1936 61.9467 71.1103 173.6589 121 V 4.9099 7.7657 114.3868 59.4201 35.3942 175.6875 122 A 4.2478 8.9193 127.0375 51.0714 19.2608 178.4495 123 A 4.0417 8.5019 120.8212 54.2253 18.3336 178.4375 124 S 4.4536 8.2862 111.8197 58.1334 62.5865 175.2794 125 D 4.6951 8.2169 118.6418 53.9501 38.4581 173.0473 126 E 4.3672 7.6009 120.9874 54.8047 30.6413 175.4603 127 V 4.1402 7.9480 126.5234 63.1650 32.1318 176.0826 128 E 4.6345 9.4442 122.3225 56.4755 32.4515 175.2167 129 A 5.0093 8.0279 120.1599 50.3538 23.1107 175.2313 130 G 4.0458 9.2977 107.7500 44.2358 0.0000 171.8360 131 I 5.1433 8.4889 123.6549 58.9435 40.6968 174.3486 132 K 4.4452 8.9057 128.0990 54.3764 34.9565 174.5709 133 F 5.0419 9.2122 127.1915 59.1550 40.2122 175.8328 134 G 4.2409 9.0174 111.1781 45.0128 0.0000 172.6551 135 D 4.3822 8.4014 117.8122 54.5342 41.2611 177.1811 136 G 3.7447 7.8638 109.5650 45.0418 0.0000 171.9321 137 D 4.7381 8.0343 118.7656 50.9029 41.6210 177.5354 138 V 3.8061 8.0672 117.4243 64.6677 31.6292 178.5209 139 F 4.2675 7.4980 119.2622 60.4979 38.8365 176.6621 140 T 4.1790 7.7667 114.9265 65.4213 68.7057 175.1069 141 A 4.3836 7.2663 122.0991 51.5685 19.7621 178.0046 142 V 3.9469 8.7734 120.5420 62.2386 32.4121 174.6142 143 N 5.3236 8.7498 126.5390 52.4329 40.0723 174.4121 144 L 5.2007 9.4945 124.4178 52.8525 45.3701 175.0444 145 L 5.1977 9.0964 124.2656 53.6728 44.3666 174.4108 146 H 5.1607 9.2809 126.9669 54.5716 31.5703 173.3252 147 S 4.6621 8.4560 120.1456 56.0608 67.3085 173.8682 148 G 3.7069 9.3598 105.3925 46.4077 0.0000 175.0867 149 Q 3.6584 8.2336 114.8842 56.4388 26.9039 174.3082 150 T 4.4013 7.3767 103.8563 60.9823 70.9381 173.0255 151 H 4.8497 7.7201 120.5159 54.0820 31.5158 173.0109 152 F 5.3586 8.6868 121.0653 55.8557 41.2749 174.5288 153 D 5.1732 9.4004 122.5099 52.2766 45.0622 175.3257 154 A 4.6930 8.3574 122.0732 51.6836 20.4409 176.4882 155 L 5.3228 8.3709 118.2279 53.1531 45.3664 176.4976 156 R 4.9016 9.0997 122.5726 54.1892 32.8104 175.8323 157 I 4.2471 8.6418 124.0539 61.2713 38.0548 175.9695 158 L 4.0981 8.9279 126.8581 54.3110 41.9751 176.5324 159 P 4.1416 0.0000 0.0000 65.9756 31.7136 177.3415 160 Q 3.8675 7.8745 115.8352 58.7291 28.4940 179.1608 161 F 5.0444 7.8076 114.9533 57.4023 39.5942 175.8230 162 E 4.1833 8.4740 125.0219 57.1017 29.4092 174.8582 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 D 8.36 4.68 0.00 2.78 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 3 F 8.06 4.20 0.00 3.02 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 4 L 8.35 3.35 0.00 1.27 0.85 0.39 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.16 4.23 0.00 1.93 2.08 0.00 3.23 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.97 0.00 6 S 7.28 4.56 0.00 3.96 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 7 L 6.93 3.44 0.00 1.61 1.01 1.02 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.15 4.52 0.00 2.55 2.50 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 0.00 0.00 0.00 9 W 8.48 4.84 0.00 3.14 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 10 T 9.38 4.62 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 1.23 0.00 0.00 11 Q 8.82 4.20 0.00 1.82 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.94 0.00 0.00 0.00 0.00 0.00 2.07 1.22 0.00 12 V 8.21 3.98 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 0.73 0.00 0.00 0.92 0.00 0.00 13 I 7.00 4.45 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.32 0.86 0.00 0.00 14 A 8.36 3.95 1.21 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 15 G 9.06 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 16 Q 7.63 4.92 0.00 1.87 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 17 Y 9.01 5.34 0.00 2.63 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 18 V 9.24 5.25 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 0.77 0.00 0.00 1.03 0.00 0.00 19 S 8.77 4.69 0.00 3.20 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.24 5.22 0.00 2.66 2.76 0.00 0.00 7.29 8.02 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 21 P 0.00 4.84 0.00 2.48 2.12 0.00 3.86 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.06 0.00 22 R 8.62 4.93 0.00 1.69 1.84 0.00 3.31 0.00 0.00 2.25 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 23 F 7.95 4.90 0.00 3.10 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 24 N 8.86 4.81 0.00 2.85 2.83 0.00 0.00 6.87 7.33 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 25 I 8.07 3.94 1.92 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 1.27 1.16 1.04 0.00 0.00 26 S 7.94 5.12 0.00 4.02 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 27 D 7.98 4.34 0.00 2.73 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 0.00 0.00 0.00 28 Y 7.97 4.72 0.00 2.37 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 0.00 0.00 0.00 0.00 29 F 8.56 5.49 0.00 3.12 2.91 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 30 E 9.35 4.72 0.00 2.11 1.91 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 2.33 2.34 0.00 31 I 8.49 4.48 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.74 0.93 0.00 0.00 32 V 8.45 4.16 2.12 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 1.04 0.00 0.00 0.98 0.00 0.00 33 R 8.53 4.47 0.00 1.72 1.83 0.00 3.34 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 34 Q 8.44 4.63 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 35 P 0.00 4.49 0.00 2.11 1.99 0.00 3.47 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 36 G 8.14 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.16 4.08 0.00 2.82 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 6.99 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 39 N 9.11 4.94 0.00 1.96 1.84 0.00 0.00 6.56 7.68 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 40 C 8.01 4.10 0.00 3.34 3.39 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 41 F 8.17 3.70 0.00 2.61 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 7.81 4.08 0.00 3.05 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.50 4.28 0.00 3.31 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.97 4.11 0.00 3.79 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.23 3.66 1.70 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.08 0.86 0.00 0.00 46 A 7.82 4.06 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 47 E 8.39 3.93 0.00 2.06 2.23 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 2.44 2.46 0.00 48 L 7.56 4.75 0.00 1.61 1.70 1.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.58 4.59 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 *51 P 0.00 3.99 0.00 2.19 2.12 0.00 3.82 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 52 N 8.92 4.07 0.00 2.83 2.87 0.00 0.00 7.08 6.68 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 53 K 7.99 3.99 0.00 1.80 1.76 0.00 1.97 0.00 0.00 1.81 0.00 0.00 3.20 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.59 7.81 54 T 8.26 4.87 4.29 0.00 0.00 0.00 0.00 0.00 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 55 D 8.74 4.77 0.00 2.57 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 H 8.27 4.84 0.00 3.18 3.22 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.91 4.37 0.00 4.18 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 58 Y 8.11 4.28 0.00 3.03 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 6.69 3.71 0.00 2.70 2.95 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.71 4.21 0.00 3.17 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 61 I 7.76 3.85 2.20 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.36 1.10 0.00 0.00 62 K 8.18 3.74 0.00 1.77 1.65 0.00 1.48 0.00 0.00 1.51 0.00 0.00 2.66 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.30 1.20 7.81 63 R 8.08 3.92 0.00 1.91 2.16 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 64 L 8.42 4.12 0.00 1.95 1.80 0.99 0.79 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 65 T 8.09 4.03 4.54 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 1.46 0.00 0.00 66 E 8.16 3.96 0.00 2.06 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 2.32 2.33 0.00 67 S 8.09 4.12 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 68 A 8.59 4.59 1.58 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 0.00 0.00 69 A 8.59 4.07 1.52 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 0.00 0.00 70 R 7.93 3.99 0.00 1.95 2.00 0.00 3.16 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 71 K 7.46 3.98 0.00 1.06 0.74 0.00 1.72 0.00 0.00 1.33 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.15 1.27 7.81 72 Y 8.06 4.85 0.00 3.11 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.53 4.00 0.00 2.88 3.03 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 74 Q 8.16 4.11 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 75 E 8.09 4.59 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 2.22 2.24 0.00 76 E 7.86 4.27 0.00 1.76 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 2.52 2.42 0.00 77 P 0.00 4.19 0.00 2.13 2.06 0.00 3.56 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 78 E 8.12 3.97 0.00 2.03 1.89 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 2.37 2.38 0.00 79 A 7.61 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.45 3.84 0.00 1.94 1.99 0.00 3.13 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 81 L 7.47 4.12 0.00 1.76 1.75 0.96 1.37 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 82 V 7.65 3.86 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.03 0.00 0.00 83 G 8.27 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 84 L 7.32 4.75 0.00 1.67 1.69 1.01 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 85 S 8.40 4.46 0.00 4.09 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 86 L 8.48 3.61 0.00 1.87 1.74 0.86 0.92 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 87 E 8.10 3.99 0.00 2.01 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 2.40 2.34 0.00 88 D 8.01 4.36 0.00 2.92 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 89 Y 8.18 3.96 0.00 2.71 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 90 L 7.77 3.83 0.00 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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 D 8.40 4.38 0.00 2.66 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 0.00 136 G 7.86 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 0.00 137 D 8.03 4.74 0.00 2.88 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.07 3.81 2.27 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 0.23 0.00 0.00 1.31 0.00 0.00 139 F 7.50 4.27 0.00 3.15 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 0.00 140 T 7.77 4.18 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 1.24 0.00 0.00 141 A 7.27 4.38 1.30 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 0.00 0.00 142 V 8.77 3.95 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 0.89 0.00 0.00 0.94 0.00 0.00 143 N 8.75 5.32 0.00 2.77 2.77 0.00 0.00 6.89 6.74 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 0.00 144 L 9.49 5.20 0.00 1.78 1.76 0.82 -0.34 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 0.00 145 L 9.10 5.20 0.00 1.75 1.55 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 146 H 9.28 5.16 0.00 3.10 3.11 0.00 5.58 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.46 4.66 0.00 3.84 3.86 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 0.00 0.00 0.00 0.00 148 G 9.36 3.71 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 0.00 0.00 0.00 149 Q 8.23 3.66 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 150 T 7.38 4.40 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 1.45 0.00 0.00 151 H 7.72 4.85 0.00 3.03 3.05 0.00 5.56 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 8.69 5.36 0.00 2.93 2.91 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 0.00 153 D 9.40 5.17 0.00 2.53 2.53 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 0.00 154 A 8.36 4.69 1.30 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 0.00 0.00 155 L 8.37 5.32 0.00 1.44 1.43 0.46 0.76 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 0.00 156 R 9.10 4.90 0.00 1.85 1.93 0.00 3.19 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 157 I 8.64 4.25 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.69 1.11 0.00 0.00 158 L 8.93 4.10 0.00 1.75 1.54 1.05 0.89 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 0.00 159 P 0.00 4.14 0.00 1.97 2.14 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 160 Q 7.87 3.87 0.00 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.55 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 161 F 7.81 5.04 0.00 3.11 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.47 4.18 0.00 2.18 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 2.19 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.