NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 A 4.2711 8.1233 123.5877 51.0452 20.7694 180.9843 15 W 3.6292 6.7868 110.8947 57.1571 29.4174 176.4142 16 L 3.4858 8.5550 119.2779 57.9959 41.3181 179.1838 17 L 4.4301 7.6419 118.0268 58.5476 41.2480 179.2163 18 M 3.9851 8.0441 118.2156 57.4961 32.0802 178.0656 19 A 3.9175 8.6401 120.9254 55.6010 18.5516 179.3155 20 F 4.2612 9.4472 116.2082 61.5001 38.5575 178.0823 21 T 3.9638 7.6474 111.4954 64.7843 67.1379 175.9149 22 A 3.7735 10.6000 122.4297 55.3490 18.3236 179.1140 23 L 4.7352 8.5622 117.7948 57.4046 41.7214 179.6658 24 A 4.2424 7.5787 116.9175 53.7612 18.5546 177.7640 25 L 4.6296 7.5334 114.9364 55.2181 45.2238 178.4710 26 E 4.2221 9.1476 119.3716 60.0837 29.3142 179.7085 27 L 4.0427 8.5391 118.5930 57.7139 41.4986 179.4320 28 T 3.8905 8.0182 114.5434 67.0028 68.5730 175.6329 29 A 4.2534 8.4215 122.6778 55.7292 18.4785 179.0230 30 L 4.6288 9.1088 117.4533 56.6064 41.4810 181.2667 31 W 4.3561 8.0854 122.0634 59.1758 29.3067 177.0250 32 F 5.0726 7.6565 116.4589 58.9286 40.9594 178.8384 33 Q 3.8435 8.7572 121.0925 59.0424 28.5156 179.2612 34 H 4.7205 7.5056 113.0121 57.7455 29.6286 176.9223 35 V 3.8623 7.8681 118.2017 66.1798 31.1169 177.6506 36 M 4.2411 10.4832 116.0516 55.0480 31.3560 178.7562 37 L 3.8930 7.8700 117.4356 54.8380 41.3482 175.5756 38 L 4.6502 7.7092 115.0156 54.6436 44.9044 173.8128 39 K 4.1824 8.2543 121.5718 55.2855 32.9947 175.9015 40 P 4.3997 0.0000 0.0000 62.5005 32.1271 174.6828 41 C 4.9795 6.7901 113.0122 55.3409 41.5392 173.6629 42 V 3.7717 7.4454 121.5318 63.2767 33.7229 177.6098 43 L 4.2680 8.4249 119.6704 58.5820 43.6224 181.4407 44 C 3.6572 7.9641 110.5474 55.0036 44.5793 174.5896 45 I 3.3980 8.6064 114.1385 64.5744 36.8668 176.2708 46 Y 4.2720 6.8926 119.0896 60.5778 37.7584 179.1752 47 E 4.0549 8.8839 119.2899 59.3952 29.8767 179.3594 48 R 4.0478 8.5165 117.7821 58.2098 29.9993 178.5352 49 V 3.9554 8.3237 118.1046 64.4492 31.9256 176.9930 50 A 4.3581 8.3005 119.0012 53.5451 18.4348 178.1324 51 L 4.1043 8.2428 118.4399 56.0617 41.2255 178.0026 52 F 3.8376 7.4707 127.3138 60.9159 39.7161 177.2208 53 G 3.7887 8.2986 104.9119 46.9311 0.0000 175.0112 54 V 4.1047 8.5271 120.4012 65.2185 32.2276 177.2632 55 L 3.7424 7.9766 117.8323 57.9618 41.4953 179.4405 56 G 3.9392 7.7599 103.8033 47.6932 0.0000 175.0601 57 A 4.6220 7.4512 123.0417 51.8603 19.4424 178.1939 58 A 4.7665 7.6543 122.7048 54.3298 21.1347 178.0456 59 L 3.5295 8.0437 117.2660 57.3564 42.0074 179.2181 60 I 3.9182 7.5106 120.3700 63.4873 38.7360 178.9987 61 G 3.8468 8.5292 105.8070 47.5357 0.0000 173.2718 62 A 4.6190 8.8146 127.4166 51.6357 21.9013 179.6447 63 I 3.5213 8.0368 115.8333 62.5408 37.1009 176.8726 64 A 4.1783 8.4929 121.6804 50.6386 18.0543 175.4133 65 P 3.9440 0.0000 0.0000 64.7373 31.4413 177.0506 66 K 4.5565 7.3965 116.3412 55.0245 35.9520 176.0278 67 T 4.4549 8.3818 110.6130 61.0096 68.9866 172.4858 68 P 4.7751 0.0000 0.0000 62.7127 32.3949 176.0566 69 L 4.3905 7.2636 113.4223 55.9909 42.7748 173.6647 70 R 4.7672 7.7259 116.2995 55.8545 31.0003 178.0246 71 Y 4.5324 7.0419 117.8860 57.9678 38.8825 177.0600 72 V 3.6169 7.1568 120.0547 65.7145 31.3808 177.6057 73 A 3.9653 7.6869 120.3408 55.2428 18.1340 178.8830 74 M 3.8768 7.0073 112.3004 58.7782 32.3806 178.4996 75 V 3.6003 7.5562 118.3412 66.0105 31.6318 178.1608 76 I 3.9716 7.9513 118.0136 63.1883 37.0188 177.3464 77 W 5.1140 9.5334 119.1854 56.6755 29.8668 177.4764 78 L 3.8765 8.0797 120.6802 57.2398 40.4309 177.3271 79 Y 4.6157 7.2836 119.0937 59.3262 39.9178 177.9102 80 S 4.7911 7.9863 120.6172 57.9375 62.7270 176.4639 81 A 4.4463 9.1301 125.4806 53.3338 17.9155 178.5187 82 F 3.9399 8.6883 119.1559 62.1284 39.0482 177.1861 83 R 4.8193 8.1981 118.2117 59.4485 30.1781 179.7410 84 G 4.4045 8.1291 104.8465 48.6769 0.0000 174.8487 85 V 3.8318 10.0419 121.1118 65.8373 31.3024 177.9546 86 Q 4.1159 8.6016 116.5998 59.1982 28.9660 178.2657 87 L 3.8564 8.9485 122.3694 57.9399 41.7662 179.7346 88 T 3.7626 7.5327 107.6530 65.8669 68.8976 176.0976 89 Y 4.1140 8.6962 120.9034 60.9622 39.2738 177.7610 90 E 3.7517 10.0060 120.3974 59.6134 29.2375 180.0696 91 H 3.7741 8.0067 116.6775 59.2428 30.9308 177.0006 92 T 4.0952 8.7952 115.3987 64.9854 66.9837 176.1481 93 M 4.0762 8.3485 120.5709 58.4213 32.2602 178.4069 94 L 4.8745 7.6308 119.4623 57.2475 41.7137 178.8859 95 Q 4.0282 7.5584 118.3234 58.4122 29.0348 177.4257 96 L 4.6739 8.0136 114.4488 54.5869 44.3778 176.0338 97 Y 4.2931 7.7400 117.1605 55.5930 36.8690 173.6552 98 P 4.8259 0.0000 0.0000 62.2078 32.7631 176.0844 99 S 4.2545 7.9776 112.7085 57.1170 66.1161 173.0796 100 P 4.0090 0.0000 0.0000 65.9617 31.8361 177.9659 101 F 4.4968 6.3359 114.9831 56.0996 36.5675 173.1192 102 A 4.6451 7.2246 121.7118 52.7189 22.3112 174.0421 103 T 4.3743 7.6541 105.4973 63.4523 70.7101 172.3622 104 C 4.8998 7.5390 114.1397 58.8161 32.2183 172.1028 105 D 5.2394 8.3369 127.2189 53.5010 44.0139 175.7232 106 F 4.7955 8.2741 115.4735 58.0005 40.0786 174.5377 107 M 4.7449 7.5183 119.9442 53.3444 36.4254 175.6950 108 V 3.2138 7.8063 122.8293 62.4857 32.3091 175.3217 109 R 4.3178 6.8273 118.5354 56.1744 30.4424 174.8578 110 F 4.7985 7.6489 119.7267 55.8301 40.5816 174.2597 111 P 4.7337 0.0000 0.0000 62.0566 30.3433 177.7044 112 E 4.7246 9.9163 113.6445 57.4160 31.3985 175.3976 113 W 3.4830 8.5930 116.5928 58.6756 26.3386 175.2763 114 L 4.5813 7.5348 121.4333 53.3832 41.6977 174.0129 115 P 4.3447 0.0000 0.0000 65.7787 32.7031 179.3048 116 L 4.1564 7.9213 119.8596 57.2067 41.7244 179.2650 117 D 4.5117 7.4539 117.2703 56.3597 40.7681 176.6662 118 K 4.5754 7.8204 118.1608 56.1497 33.1144 176.3847 119 W 5.1666 8.2982 115.0585 56.2359 29.9726 176.2180 120 V 4.4700 6.9486 116.9750 63.5295 33.7591 175.3137 121 P 4.3566 0.0000 0.0000 65.5708 31.8986 177.8241 122 Q 4.0305 7.9555 119.2266 58.5891 29.3822 176.9955 123 V 3.7486 7.5013 117.5656 65.9133 31.9057 178.1056 124 F 4.5508 10.0174 117.1152 58.0626 38.4899 176.9962 125 V 3.9065 7.8242 121.0523 63.9214 31.6230 176.1463 126 A 4.4701 7.7021 122.3476 51.2333 17.7448 175.4846 *142 M 4.4979 8.1775 121.3018 55.1647 34.6949 175.8898 143 P 4.1360 0.0000 0.0000 67.5668 30.7628 179.8730 144 Q 2.6007 7.1055 111.7562 55.8609 29.5288 179.0708 145 W 4.3255 7.3348 119.5516 61.4427 29.7221 178.7576 146 L 3.9874 8.0585 114.7401 57.1923 39.8767 178.9573 147 L 4.2962 7.8806 120.2473 57.6391 41.9935 180.3158 148 G 3.7700 7.7819 105.1524 47.6229 0.0000 175.7860 149 I 3.2177 8.5728 115.3701 62.9009 37.5929 178.0497 150 F 4.1105 9.2767 119.9999 59.4131 38.9892 176.4475 151 I 4.2987 7.2190 110.3138 61.8032 38.5432 177.8666 152 A 4.0292 8.5069 123.7341 55.2199 17.9318 179.1047 153 Y 4.2765 7.4077 111.5391 58.6018 37.6152 176.3002 154 L 4.6226 7.8077 120.4874 56.8430 43.7099 178.2169 155 I 3.7803 7.4226 111.4011 64.1489 37.5015 178.2822 156 V 3.5658 7.8745 119.4152 65.6391 31.1906 177.7142 157 A 4.4148 8.0770 119.2932 54.7030 18.6020 179.1068 158 V 3.9943 7.9262 116.6057 65.6067 30.4144 177.7375 159 L 3.9557 8.5589 119.1513 58.4080 41.3710 180.0166 160 V 3.8415 7.3836 115.8468 65.1102 31.4793 177.6999 161 V 3.9410 6.9796 116.4685 64.8275 32.0101 175.5151 162 I 3.9247 8.0779 115.4360 61.0798 37.5526 175.4334 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 14 A 8.12 4.27 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 15 W 6.79 3.63 0.00 3.38 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 16 L 8.55 3.49 0.00 1.02 0.13 0.87 0.62 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 17 L 7.64 4.43 0.00 1.73 1.75 0.93 0.88 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 18 M 8.04 3.99 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 19 A 8.64 3.92 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 20 F 9.45 4.26 0.00 3.10 3.10 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 0.00 0.00 0.00 0.00 21 T 7.65 3.96 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 1.14 0.00 0.00 22 A 10.60 3.77 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 23 L 8.56 4.74 0.00 1.67 1.69 0.97 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.58 4.24 1.41 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 0.00 0.00 0.00 25 L 7.53 4.63 0.00 1.63 1.66 0.84 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 9.15 4.22 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.23 0.00 27 L 8.54 4.04 0.00 1.58 1.38 0.73 0.49 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 28 T 8.02 3.89 4.50 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 1.47 0.00 0.00 29 A 8.42 4.25 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 30 L 9.11 4.63 0.00 1.74 1.62 1.12 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.09 4.36 0.00 2.51 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 0.00 0.00 0.00 32 F 7.66 5.07 0.00 3.21 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 33 Q 8.76 3.84 0.00 1.98 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 34 H 7.51 4.72 0.00 3.26 3.47 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.87 3.86 2.41 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 0.90 0.00 0.00 1.24 0.00 0.00 36 M 10.48 4.24 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.61 0.00 37 L 7.87 3.89 0.00 1.81 1.58 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.71 4.65 0.00 1.63 1.63 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.25 4.18 0.00 1.98 1.77 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.41 7.81 40 P 0.00 4.40 0.00 2.09 2.24 0.00 3.87 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 1.99 2.02 0.00 41 C 6.79 4.98 0.00 3.07 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 42 V 7.45 3.77 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 1.04 0.00 0.00 0.74 0.00 0.00 43 L 8.42 4.27 0.00 1.85 1.94 0.75 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 44 C 7.96 3.66 0.00 2.84 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 45 I 8.61 3.40 1.53 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 1.27 -0.02 0.72 0.00 0.00 46 Y 6.89 4.27 0.00 3.30 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 47 E 8.88 4.05 0.00 2.04 1.75 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 2.14 2.45 0.00 48 R 8.52 4.05 0.00 1.73 1.52 0.00 2.93 0.00 0.00 2.99 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 49 V 8.32 3.96 2.24 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 1.18 0.00 0.00 0.98 0.00 0.00 50 A 8.30 4.36 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 0.00 0.00 0.00 0.00 0.00 51 L 8.24 4.10 0.00 2.01 1.97 1.14 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 52 F 7.47 3.84 0.00 2.90 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.30 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.53 4.10 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 0.91 0.00 0.00 1.01 0.00 0.00 55 L 7.98 3.74 0.00 1.51 1.45 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.76 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 57 A 7.45 4.62 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 58 A 7.65 4.77 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 0.00 0.00 0.00 0.00 0.00 59 L 8.04 3.53 0.00 0.66 0.14 0.56 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.51 3.92 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.47 0.97 0.00 0.00 61 G 8.53 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 62 A 8.81 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.04 3.52 2.15 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 1.31 0.34 1.08 0.00 0.00 64 A 8.49 4.18 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 3.94 0.00 2.06 2.15 0.00 3.74 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 2.12 2.33 0.00 66 K 7.40 4.56 0.00 1.44 1.57 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.30 7.81 67 T 8.38 4.45 4.16 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 1.11 0.00 0.00 68 P 0.00 4.78 0.00 2.16 2.13 0.00 3.73 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.88 0.00 69 L 7.26 4.39 0.00 1.45 1.35 0.97 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.73 4.77 0.00 1.82 1.75 0.00 3.37 0.00 0.00 3.27 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 71 Y 7.04 4.53 0.00 3.12 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 72 V 7.16 3.62 1.92 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 1.07 0.00 0.00 0.73 0.00 0.00 73 A 7.69 3.97 0.98 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 0.00 0.00 74 M 7.01 3.88 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 75 V 7.56 3.60 2.28 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 0.88 0.00 0.00 1.01 0.00 0.00 76 I 7.95 3.97 2.17 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.72 1.22 0.00 0.00 77 W 9.53 5.11 0.00 3.26 3.34 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 78 L 8.08 3.88 0.00 1.52 0.70 0.59 0.54 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 79 Y 7.28 4.62 0.00 2.98 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 80 S 7.99 4.79 0.00 3.99 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.13 4.45 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.69 3.94 0.00 3.31 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 83 R 8.20 4.82 0.00 2.13 2.06 0.00 3.27 0.00 0.00 3.30 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 84 G 8.13 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 0.00 0.00 0.00 0.00 85 V 10.04 3.83 2.36 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 1.01 0.00 0.00 1.06 0.00 0.00 86 Q 8.60 4.12 0.00 2.57 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.45 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 87 L 8.95 3.86 0.00 1.49 1.72 1.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.53 3.76 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 0.52 0.00 0.00 89 Y 8.70 4.11 0.00 2.88 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 90 E 10.01 3.75 0.00 1.87 1.81 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 2.09 2.22 0.00 91 H 8.01 3.77 0.00 3.45 3.33 0.00 5.60 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 92 T 8.80 4.10 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 1.32 0.00 0.00 93 M 8.35 4.08 0.00 1.93 2.13 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.93 0.00 94 L 7.63 4.87 0.00 1.70 1.69 0.88 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.56 4.03 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 96 L 8.01 4.67 0.00 1.75 1.83 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.74 4.29 0.00 3.15 2.90 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 98 P 0.00 4.83 0.00 1.96 1.95 0.00 3.58 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 1.93 2.04 0.00 99 S 7.98 4.25 0.00 3.73 3.28 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 0.00 100 P 0.00 4.01 0.00 1.61 1.88 0.00 2.97 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.89 0.00 101 F 6.34 4.50 0.00 3.04 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 0.00 102 A 7.22 4.65 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 0.00 103 T 7.65 4.37 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 1.21 0.00 0.00 104 C 7.54 4.90 0.00 3.07 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 0.00 105 D 8.34 5.24 0.00 2.64 2.66 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 0.00 106 F 8.27 4.80 0.00 2.97 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 0.00 107 M 7.52 4.74 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 108 V 7.81 3.21 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 0.40 0.00 0.00 0.29 0.00 0.00 109 R 6.83 4.32 0.00 1.84 1.78 0.00 3.17 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.46 0.00 110 F 7.65 4.80 0.00 3.19 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 0.00 111 P 0.00 4.73 0.00 2.24 2.20 0.00 3.93 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 112 E 9.92 4.72 0.00 1.98 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 0.00 2.28 2.42 0.00 113 W 8.59 3.48 0.00 3.38 3.34 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 0.00 114 L 7.53 4.58 0.00 1.70 1.32 0.76 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.34 0.00 2.45 2.33 0.00 3.47 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 116 L 7.92 4.16 0.00 1.80 1.89 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.45 4.51 0.00 2.11 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 0.00 118 K 7.82 4.58 0.00 1.46 1.24 0.00 0.69 0.00 0.00 1.10 0.00 0.00 2.44 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.05 1.41 7.81 119 W 8.30 5.17 0.00 3.27 3.08 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 0.00 0.00 0.00 120 V 6.95 4.47 2.20 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 1.32 0.00 0.00 1.18 0.00 0.00 121 P 0.00 4.36 0.00 2.13 2.16 0.00 3.88 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.91 0.00 122 Q 7.96 4.03 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.13 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 123 V 7.50 3.75 2.28 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 0.65 0.00 0.00 1.04 0.00 0.00 124 F 10.02 4.55 0.00 3.26 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.82 3.91 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 0.82 0.00 0.00 1.17 0.00 0.00 126 A 7.70 4.47 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 *142 M 8.18 4.50 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.73 0.00 143 P 0.00 4.14 0.00 2.21 2.23 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 144 Q 7.11 2.60 0.00 1.10 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 145 W 7.33 4.33 0.00 3.33 3.19 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 0.00 146 L 8.06 3.99 0.00 1.93 1.70 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.88 4.30 0.00 1.70 1.72 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 148 G 7.78 3.77 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 0.00 0.00 0.00 149 I 8.57 3.22 1.78 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.73 0.99 0.00 0.00 150 F 9.28 4.11 0.00 3.25 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 7.22 4.30 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.87 0.97 0.00 0.00 152 A 8.51 4.03 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 0.00 153 Y 7.41 4.28 0.00 2.95 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 0.00 154 L 7.81 4.62 0.00 1.81 1.66 1.03 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 155 I 7.42 3.78 1.90 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 1.41 0.67 0.93 0.00 0.00 156 V 7.87 3.57 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 1.15 0.00 0.00 0.96 0.00 0.00 157 A 8.08 4.41 1.67 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 0.00 158 V 7.93 3.99 2.36 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 0.98 0.00 0.00 1.10 0.00 0.00 159 L 8.56 3.96 0.00 1.81 1.76 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.38 3.84 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.06 0.00 0.00 161 V 6.98 3.94 2.18 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 0.79 0.00 0.00 0.72 0.00 0.00 162 I 8.08 3.92 1.89 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 1.34 0.73 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.