NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 3.7623 8.2549 119.6078 54.9494 31.5192 175.1644 7 P 5.1765 0.0000 0.0000 62.0490 32.8135 173.7121 8 L 5.9617 9.4862 122.1442 52.1172 45.7479 177.3784 9 R 3.5008 8.7375 119.4770 59.6095 30.0832 179.2642 10 E 4.0335 8.2100 115.4565 59.4271 29.7304 178.0872 11 Q 4.0923 8.4350 116.7701 57.2425 28.9880 175.1559 12 Y 4.7578 8.2525 118.3201 56.7028 40.3244 176.2719 13 L 4.5373 7.9743 122.2883 55.2904 42.3641 176.1881 14 H 5.0604 7.3205 115.6455 55.2282 33.3758 172.0931 15 F 4.9792 8.3662 122.2225 55.7912 42.7448 174.3000 16 Q 4.4572 8.4634 122.5330 54.1514 31.9871 172.1037 17 P 4.7513 0.0000 0.0000 62.6847 32.4326 176.0131 18 I 4.7371 8.4779 123.2985 59.4680 41.1429 174.8058 19 S 4.6893 8.7449 121.5628 57.9186 64.4174 174.1884 20 T 4.6209 8.5003 112.4250 61.1786 70.3472 173.6298 21 R 4.9367 9.1374 120.9805 53.7401 33.3255 176.7361 22 W 2.9041 8.4205 129.8510 60.7930 30.3488 177.2431 23 H 4.5035 8.0813 113.3151 56.6620 29.7621 175.2234 24 D 4.4224 8.0646 119.7175 58.0727 40.9099 176.8613 25 N 4.7047 7.4026 115.8066 52.9879 39.1842 174.7066 26 D 4.7223 8.5809 123.0390 51.5418 41.8480 176.9337 27 I 3.5809 7.8721 111.3570 63.7715 37.4095 176.1872 28 Y 4.5948 8.0366 117.7358 58.3002 38.0255 176.2516 29 G 3.9263 8.5080 108.7170 44.9851 0.0000 172.9059 30 H 5.1892 7.7933 115.8185 53.1633 32.8323 173.3838 31 V 3.9620 8.8210 121.0081 63.5153 31.9460 175.5629 32 N 4.5179 9.3240 127.4008 53.4561 39.7096 175.5455 33 N 3.9798 8.8214 122.3358 55.8198 37.7547 177.3707 34 V 3.8508 8.6307 118.9358 66.1773 31.5037 178.1575 35 T 3.6796 7.8688 115.3261 66.3650 68.1645 176.1971 36 Y 3.6335 7.6428 117.4751 60.8674 37.4487 178.1797 37 Y 3.3124 7.6162 117.6845 60.4007 37.9411 177.6028 38 A 4.0330 7.8603 121.3136 55.4325 18.3518 179.5105 39 F 4.5286 7.6132 115.9964 60.7435 38.9564 177.8821 40 F 4.4292 8.2733 117.3372 60.9683 38.7893 177.3901 41 D 4.3185 8.4476 118.7100 57.6753 40.4746 179.2503 42 T 3.9595 8.0376 115.9776 66.5806 68.5256 176.8913 43 A 4.3733 8.2302 124.1240 54.5734 18.3315 179.9241 44 V 3.4132 7.9150 116.7052 66.4176 31.7363 178.1978 45 N 4.4793 8.3476 116.1098 56.3413 38.2170 177.6735 46 T 3.9122 8.3086 117.7003 66.8261 68.5282 175.8006 47 Y 4.0431 7.9276 120.9562 60.8401 38.7008 178.2779 48 L 4.0038 8.3166 119.9818 57.7415 41.4611 179.6811 49 I 4.0280 7.8468 121.0414 64.0741 36.9226 178.4474 50 E 4.0196 8.3043 118.3589 58.6797 29.4000 178.3981 51 R 4.3361 7.8105 116.9108 56.5465 31.4624 176.7421 52 G 3.6778 7.7350 104.7744 44.6348 0.0000 173.9594 53 G 3.8447 7.6548 106.0964 45.8900 0.0000 173.7400 54 L 3.8204 8.0310 122.2435 55.2585 42.4541 175.7347 55 D 4.9715 8.5431 125.6357 52.4970 40.9052 176.1182 56 I 3.9790 8.2556 122.5319 63.4031 38.5619 178.6405 57 Q 4.1837 8.3954 119.3521 57.4655 28.1860 182.2062 58 G 4.2532 9.0959 103.7426 44.5336 0.0000 172.8868 59 G 3.7399 8.5282 111.6423 45.9966 0.0000 175.0127 60 E 4.2547 8.7535 119.3296 57.9149 31.1475 176.3166 61 V 5.0828 7.8221 117.3551 61.5030 33.9692 174.8175 62 I 4.8308 8.9577 120.5221 59.1014 41.3197 174.2058 63 G 3.6756 8.6897 110.7349 44.8156 0.0000 172.8838 64 L 4.9422 8.4161 124.5794 52.6215 45.0790 175.8412 65 V 4.5724 8.4815 123.0800 63.0559 31.5748 175.8271 66 V 4.5114 8.5762 120.7881 61.8266 33.7058 175.8269 67 S 4.8510 7.9788 113.3015 57.8036 65.8287 173.7660 68 S 5.5421 8.5460 114.3538 58.0630 65.7537 173.1429 69 S 4.9156 9.5099 114.6943 58.6507 66.6187 172.5424 70 C 5.0667 8.5119 119.5315 58.2253 34.4500 172.4844 71 D 4.7162 8.9214 125.0815 52.4492 43.8165 174.3916 72 Y 4.2236 8.1214 119.8881 56.3571 39.5216 175.1033 73 F 4.9699 9.3280 123.5622 58.6371 40.9232 176.4576 74 A 4.7306 7.8507 118.6326 49.8147 22.0485 173.6077 75 P 4.7616 0.0000 0.0000 62.6026 32.8173 175.7077 76 V 4.8741 8.1476 113.2530 59.7265 35.6742 174.5204 77 A 5.1683 8.7820 122.7108 49.8139 22.7590 175.7476 78 F 4.3319 9.7558 123.4165 57.6485 39.8724 173.2782 79 P 3.5833 0.0000 0.0000 61.9626 31.3425 175.4897 80 Q 4.0096 7.8180 117.8780 57.1463 29.2348 176.1855 81 R 4.6909 8.3105 119.3913 54.8188 32.2748 175.4618 82 I 4.9669 8.0081 116.0143 59.2937 41.5072 174.1981 83 E 5.1082 8.4170 121.4966 54.2141 33.1362 174.1761 *85 G 3.5402 8.6049 104.3736 46.3519 0.0000 171.7678 86 L 5.4253 8.7356 124.3554 53.1704 45.8463 175.2992 87 R 4.9079 9.3177 121.5217 54.7450 33.5805 173.5251 88 V 4.1853 8.3235 118.8788 62.2245 33.0786 174.1160 89 A 4.1874 9.2326 134.6269 53.5477 17.9846 177.9402 90 R 4.3883 8.1931 113.9928 54.2020 32.5176 178.4241 91 L 4.7692 8.4782 124.7229 52.6399 43.4559 175.5922 92 G 4.1135 8.5003 118.9615 44.3765 0.0000 171.2688 93 N 4.4660 8.8253 116.6677 56.0467 39.3681 177.0716 94 S 5.2142 8.0805 109.3807 57.7902 64.9063 173.4739 95 S 5.3514 7.9708 114.7205 57.1889 66.9652 173.0000 96 V 4.7449 8.7116 119.2262 60.2494 35.1969 173.4226 97 Q 4.5596 8.9239 124.5773 54.6749 31.1433 173.8678 98 Y 4.8598 8.6220 125.0876 56.9970 40.0912 174.4358 99 E 5.1912 9.1034 122.5266 54.6666 32.5044 175.1713 100 L 5.3084 9.0056 123.1759 53.1233 46.2149 175.3747 101 A 4.7915 8.0555 121.8268 50.4669 22.6332 175.2824 102 L 4.7261 8.6643 123.8629 53.4097 44.4188 175.2528 103 F 5.1943 8.9505 124.2280 55.3430 42.9183 174.5268 104 L 4.4502 8.8597 122.6327 54.5795 42.9523 176.1228 105 E 4.5622 7.7706 121.0894 57.8000 29.1695 177.6618 106 G 3.8413 8.9962 111.2041 46.1181 0.0000 172.8146 107 Q 4.5392 8.0592 118.3003 54.6208 30.4510 176.1826 108 R 4.1467 8.5357 120.2775 58.8825 31.5809 176.4346 109 E 4.9791 8.1956 117.3331 55.1158 30.5299 176.7208 110 A 3.7126 8.7161 126.7128 52.3858 18.6304 177.5787 111 C 4.5525 9.3765 119.7199 62.7813 29.4548 173.7081 112 A 4.7306 7.8512 117.4952 50.8222 22.5339 175.2109 113 A 4.9141 8.6576 121.2893 50.9611 23.0679 175.9143 114 G 4.0707 8.9719 108.4465 46.2693 0.0000 171.8815 115 R 5.6591 9.2488 118.3585 55.5664 35.3721 174.3388 116 F 5.4510 8.4998 115.6098 56.2277 42.0283 172.5603 117 V 4.6702 8.9481 118.8431 61.4643 33.9285 173.8438 118 H 5.3914 8.6961 125.4172 54.7647 30.7333 174.2264 119 V 4.6099 8.5381 123.0543 61.0947 33.7528 174.5222 120 F 4.9500 9.3269 127.6034 57.3521 40.2664 175.2381 121 V 5.0549 9.0443 115.7511 59.3393 36.7575 174.6279 122 E 4.4592 9.2486 124.9318 57.2330 29.9348 178.8128 123 R 3.6410 9.1107 126.1290 60.5207 29.2281 176.3483 124 R 3.9853 8.3105 115.7773 57.8903 29.1104 177.5128 125 S 4.0585 8.1004 115.0363 59.0975 63.4722 176.0556 126 S 3.7224 8.0343 114.0005 59.4841 61.3361 171.2748 127 R 4.6122 7.1651 116.2139 54.4497 30.8984 177.8906 128 P 4.8942 0.0000 0.0000 63.4066 31.9462 176.6746 129 V 4.7167 8.5772 121.0809 59.0330 35.8615 174.6795 130 A 4.4092 8.6121 123.0748 52.3583 18.9880 177.6761 131 I 3.6367 8.3978 123.7730 60.7513 37.7631 174.6932 132 P 4.2970 0.0000 0.0000 62.9004 31.8786 177.1791 133 Q 4.0290 8.9382 122.3756 60.0004 28.3962 179.7975 134 E 3.9593 8.0909 118.6669 60.9909 29.7539 180.9731 135 L 4.1038 7.7056 119.2220 57.5621 41.7403 179.0139 136 R 3.8833 8.2874 121.6252 60.3778 29.9732 178.6960 137 D 4.3684 8.3377 120.5266 58.4720 39.5692 180.1445 138 A 4.2693 7.4622 121.1074 55.0850 18.6747 179.4899 139 L 4.2490 8.1551 117.2624 57.7447 41.7198 179.3478 140 A 3.9996 8.5179 121.0565 55.2195 18.1055 179.4745 141 A 4.0672 7.9392 117.6037 54.2400 18.7098 178.6741 142 L 4.4114 7.7506 116.2598 53.6852 42.1879 176.0386 143 Q 4.7124 7.8468 119.2572 54.3568 29.5525 176.2024 144 S 4.2693 8.5173 115.9623 58.6200 63.1661 173.9532 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 6 R 8.25 3.76 0.00 1.47 1.65 0.00 2.95 0.00 0.00 2.85 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 7 P 0.00 5.18 0.00 2.42 2.43 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 8 L 9.49 5.96 0.00 1.63 1.91 1.01 1.21 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 9 R 8.74 3.50 0.00 1.68 1.77 0.00 2.81 0.00 0.00 2.90 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.28 0.00 10 E 8.21 4.03 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 11 Q 8.44 4.09 0.00 2.35 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 12 Y 8.25 4.76 0.00 2.76 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.97 4.54 0.00 1.60 1.57 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 14 H 7.32 5.06 0.00 3.08 2.89 0.00 5.77 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.37 4.98 0.00 2.87 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 16 Q 8.46 4.46 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.09 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 17 P 0.00 4.75 0.00 1.98 1.95 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 18 I 8.48 4.74 1.47 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.08 0.90 0.00 0.00 19 S 8.74 4.69 0.00 3.93 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 20 T 8.50 4.62 4.58 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 1.26 0.00 0.00 21 R 9.14 4.94 0.00 2.02 1.85 0.00 3.22 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 22 W 8.42 2.90 0.00 2.90 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 23 H 8.08 4.50 0.00 3.16 3.28 0.00 6.00 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.06 4.42 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 25 N 7.40 4.70 0.00 2.33 2.53 0.00 0.00 6.99 7.72 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 26 D 8.58 4.72 0.00 2.69 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 27 I 7.87 3.58 1.65 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.36 0.76 0.00 0.00 28 Y 8.04 4.59 0.00 3.11 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 29 G 8.51 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 H 7.79 5.19 0.00 3.12 3.33 0.00 5.64 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 31 V 8.82 3.96 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 0.65 0.00 0.00 1.07 0.00 0.00 32 N 9.32 4.52 0.00 2.68 2.58 0.00 0.00 6.60 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.82 3.98 0.00 2.28 2.20 0.00 0.00 5.83 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 34 V 8.63 3.85 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 0.98 0.00 0.00 0.93 0.00 0.00 35 T 7.87 3.68 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 36 Y 7.64 3.63 0.00 2.70 2.44 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 37 Y 7.62 3.31 0.00 3.04 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 38 A 7.86 4.03 1.22 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 0.00 0.00 0.00 39 F 7.61 4.53 0.00 3.29 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 40 F 8.27 4.43 0.00 3.16 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 41 D 8.45 4.32 0.00 2.97 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 42 T 8.04 3.96 4.58 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 1.30 0.00 0.00 43 A 8.23 4.37 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 44 V 7.92 3.41 2.29 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 0.63 0.00 0.00 0.52 0.00 0.00 45 N 8.35 4.48 0.00 3.01 2.95 0.00 0.00 7.13 6.89 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 46 T 8.31 3.91 4.66 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 1.34 0.00 0.00 47 Y 7.93 4.04 0.00 3.15 3.22 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 0.00 48 L 8.32 4.00 0.00 2.17 1.81 1.32 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.85 4.03 2.01 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 1.72 1.82 0.96 0.00 0.00 50 E 8.30 4.02 0.00 1.97 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 2.35 2.32 0.00 51 R 7.81 4.34 0.00 1.38 1.08 0.00 3.19 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.32 0.00 52 G 7.73 3.68 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 0.00 53 G 7.65 3.84 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 0.00 0.00 0.00 54 L 8.03 3.82 0.00 1.78 1.71 1.02 1.19 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 55 D 8.54 4.97 0.00 2.73 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.26 3.98 1.91 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 1.30 0.74 0.96 0.00 0.00 57 Q 8.40 4.18 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.27 0.00 0.00 0.00 0.00 0.00 2.27 1.92 0.00 58 G 9.10 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 0.00 0.00 0.00 0.00 59 G 8.53 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 60 E 8.75 4.25 0.00 1.68 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 2.31 1.87 0.00 61 V 7.82 5.08 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 1.12 0.00 0.00 0.96 0.00 0.00 62 I 8.96 4.83 1.91 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 1.20 1.19 0.96 0.00 0.00 63 G 8.69 3.68 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 0.00 64 L 8.42 4.94 0.00 1.54 1.54 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.48 4.57 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 0.85 0.00 0.00 0.98 0.00 0.00 66 V 8.58 4.51 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 0.96 0.00 0.00 67 S 7.98 4.85 0.00 3.90 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 68 S 8.55 5.54 0.00 4.22 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 69 S 9.51 4.92 0.00 3.96 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 70 C 8.51 5.07 0.00 2.27 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 0.00 0.00 0.00 0.00 71 D 8.92 4.72 0.00 2.24 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 0.00 0.00 0.00 0.00 72 Y 8.12 4.22 0.00 2.50 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 73 F 9.33 4.97 0.00 2.98 3.04 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 74 A 7.85 4.73 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 75 P 0.00 4.76 0.00 1.66 1.87 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.83 0.00 76 V 8.15 4.87 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 0.82 0.00 0.00 0.98 0.00 0.00 77 A 8.78 5.17 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 78 F 9.76 4.33 0.00 3.08 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 79 P 0.00 3.58 0.00 1.74 0.86 0.00 3.64 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 80 Q 7.82 4.01 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.20 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 81 R 8.31 4.69 0.00 1.72 1.80 0.00 3.03 0.00 0.00 3.51 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 82 I 8.01 4.97 1.67 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.67 0.82 0.00 0.00 83 E 8.42 5.11 0.00 2.10 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 2.45 2.25 0.00 *85 G 8.60 3.54 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 0.00 86 L 8.74 5.43 0.00 1.56 1.47 0.79 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.32 4.91 0.00 1.88 1.85 0.00 2.62 0.00 0.00 2.94 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.45 0.00 88 V 8.32 4.19 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 0.82 0.00 0.00 0.97 0.00 0.00 89 A 9.23 4.19 1.17 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 0.00 0.00 90 R 8.19 4.39 0.00 1.51 1.81 0.00 3.19 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.18 0.00 91 L 8.48 4.77 0.00 1.47 1.54 0.89 1.08 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 92 G 8.50 4.11 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 0.00 0.00 0.00 93 N 8.83 4.47 0.00 2.74 2.83 0.00 0.00 6.44 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 94 S 8.08 5.21 0.00 3.99 4.08 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 95 S 7.97 5.35 0.00 3.94 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 96 V 8.71 4.74 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 0.36 0.00 0.00 0.58 0.00 0.00 97 Q 8.92 4.56 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 98 Y 8.62 4.86 0.00 2.38 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 99 E 9.10 5.19 0.00 1.86 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 2.26 2.26 0.00 100 L 9.01 5.31 0.00 0.74 1.03 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.06 4.79 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.66 4.73 0.00 1.77 1.58 0.69 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.95 5.19 0.00 3.02 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 0.00 104 L 8.86 4.45 0.00 1.83 1.61 1.01 1.02 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 0.00 105 E 7.77 4.56 0.00 1.90 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 2.33 2.26 0.00 106 G 9.00 3.84 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 0.00 0.00 0.00 107 Q 8.06 4.54 0.00 2.38 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 108 R 8.54 4.15 0.00 1.88 1.99 0.00 3.23 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.23 0.00 109 E 8.20 4.98 0.00 2.17 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 2.28 1.88 0.00 110 A 8.72 3.71 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 9.38 4.55 0.00 3.04 3.31 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 0.00 112 A 7.85 4.73 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 0.00 113 A 8.66 4.91 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 0.00 114 G 8.97 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 0.00 0.00 0.00 115 R 9.25 5.66 0.00 1.86 1.86 0.00 3.21 0.00 0.00 3.36 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.46 0.00 116 F 8.50 5.45 0.00 3.52 3.31 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 0.00 117 V 8.95 4.67 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 0.98 0.00 0.00 0.93 0.00 0.00 118 H 8.70 5.39 0.00 3.08 2.43 0.00 5.65 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 0.00 119 V 8.54 4.61 2.05 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 1.07 0.00 0.00 0.93 0.00 0.00 120 F 9.33 4.95 0.00 3.08 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 0.00 121 V 9.04 5.05 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 0.79 0.00 0.00 0.95 0.00 0.00 122 E 9.25 4.46 0.00 1.93 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 2.35 2.29 0.00 123 R 9.11 3.64 0.00 1.55 1.87 0.00 3.27 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 124 R 8.31 3.99 0.00 2.18 1.95 0.00 3.14 0.00 0.00 3.22 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.22 0.00 125 S 8.10 4.06 0.00 4.05 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 0.00 126 S 8.03 3.72 0.00 4.03 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 0.00 127 R 7.17 4.61 0.00 1.52 1.78 0.00 3.34 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 128 P 0.00 4.89 0.00 1.95 2.06 0.00 3.60 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 2.05 2.12 0.00 129 V 8.58 4.72 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 0.71 0.00 0.00 0.93 0.00 0.00 130 A 8.61 4.41 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 0.00 131 I 8.40 3.64 1.77 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 1.03 0.62 0.51 0.00 0.00 132 P 0.00 4.30 0.00 2.14 2.14 0.00 3.46 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 133 Q 8.94 4.03 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 134 E 8.09 3.96 0.00 1.97 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 2.31 1.97 0.00 135 L 7.71 4.10 0.00 1.64 1.45 0.70 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.29 3.88 0.00 2.03 2.07 0.00 3.22 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 137 D 8.34 4.37 0.00 2.71 2.67 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 0.00 138 A 7.46 4.27 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 0.00 139 L 8.16 4.25 0.00 1.88 1.75 0.98 0.94 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 0.00 140 A 8.52 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.94 4.07 1.48 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 0.00 0.00 142 L 7.75 4.41 0.00 1.76 1.58 0.02 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 7.85 4.71 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 144 S 8.52 4.27 0.00 3.94 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 * Residues marked with a * may have inaccurate shift predictions.