NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1705 8.0249 120.7873 60.8803 39.1807 174.6866 3 Q 4.4942 8.3476 123.8424 52.3758 32.5129 173.2241 4 S 4.8649 9.1313 116.1552 56.6952 67.1465 173.2074 5 Q 4.5443 8.7614 121.7239 54.9728 29.8920 175.8840 6 I 4.4647 8.1415 110.7132 60.1755 39.0928 174.7553 7 N 4.9230 7.8262 120.3819 51.1007 41.2140 174.8910 8 R 4.0002 8.6007 122.9275 59.0394 29.5641 178.3966 9 N 4.3540 8.7915 117.9922 56.1177 38.4051 177.3244 10 I 3.6997 7.5118 121.6139 64.5600 37.2151 178.7149 11 R 4.0157 7.9023 118.2723 58.9857 29.9397 178.9201 12 L 4.0345 8.1522 119.1166 57.6128 41.5910 179.1090 13 D 4.3599 8.3529 119.2577 57.2069 40.6935 178.5078 14 L 3.9452 7.9921 120.6863 57.9978 41.9894 178.7704 15 A 4.1401 8.2134 120.8630 55.4046 18.3110 179.3588 16 D 4.2849 8.2001 117.1174 57.3852 40.8557 178.8652 17 A 4.0109 8.0117 121.2889 55.2045 18.3833 179.7128 18 I 3.6627 8.1822 118.7294 64.6348 37.2103 178.7433 19 L 4.1091 8.2678 120.0584 57.5309 41.3570 179.3731 20 L 3.9542 8.0448 120.5236 58.0281 42.0009 178.8436 21 S 4.0386 8.1962 113.2123 61.2220 62.3219 175.8894 22 K 3.7503 8.4571 122.4526 59.6711 31.9315 178.5972 23 A 3.9822 8.0286 120.8286 55.0011 18.0504 179.7316 24 K 3.9382 8.0350 116.3469 59.2478 32.2384 178.8643 25 K 4.1656 8.1021 115.8836 55.4983 33.0024 175.9350 26 D 4.2809 7.5743 118.0781 55.0661 40.0651 172.9948 27 L 4.7088 7.6626 117.0081 53.6138 43.8739 177.4470 28 S 4.6485 8.4521 116.1147 56.7489 66.4731 175.4621 29 F 4.1755 8.3464 121.4118 60.7017 38.7011 177.7105 30 A 4.1193 8.1204 120.1792 55.2779 18.0312 179.3830 31 E 4.0222 8.2769 115.0233 59.3974 29.8097 179.0948 32 I 3.8474 7.6274 120.1003 64.2240 37.4912 177.9124 33 A 4.2127 8.2879 121.6244 53.6177 18.2268 177.3561 34 D 4.5142 7.5209 117.2980 56.0904 41.5529 176.5249 35 G 4.0689 9.0690 115.2291 45.5763 0.0000 174.3127 36 T 3.9952 7.7362 108.9057 62.4359 69.1865 176.1979 37 G 3.9477 8.3688 108.9028 45.2360 0.0000 172.8141 38 L 4.6947 7.5482 118.7003 52.1435 44.4038 176.9487 39 A 4.1578 8.3189 123.4687 52.0638 20.2952 178.4055 40 E 3.9167 8.9128 123.0525 59.6125 29.7614 179.4556 41 A 3.9433 7.9838 120.1256 54.8687 18.3847 179.3478 42 F 3.8336 8.0028 118.8308 61.4215 39.6520 177.5495 43 V 3.5869 8.0473 117.9179 66.2607 31.3101 178.1151 44 T 3.7504 8.0684 115.3331 66.5311 68.2438 176.5371 45 A 3.8277 7.7618 122.3767 54.8442 18.3383 179.5471 46 A 4.1783 7.6731 120.6935 54.8403 18.2421 179.7353 47 L 4.0051 7.7611 116.2448 57.7612 41.7334 178.8474 48 L 4.4695 7.6683 116.2356 54.5599 41.6882 177.6357 49 G 3.9504 8.1503 107.3448 45.4548 0.0000 174.3445 50 Q 4.5228 8.2366 116.6177 55.5128 29.9544 174.8536 51 Q 4.6282 7.4395 115.9674 54.3009 33.8958 173.0227 52 A 4.9125 8.4330 122.0142 50.3384 20.8638 176.7469 53 L 4.5016 8.7797 123.0279 53.4616 43.2930 175.4952 54 P 4.4449 0.0000 0.0000 62.4127 32.3000 177.3787 55 A 3.9998 8.7144 122.0437 55.7213 18.2696 179.9698 56 D 4.2880 8.1243 116.5919 57.4151 40.9325 178.7790 57 A 4.0183 8.0029 120.6663 55.0803 18.4905 179.3775 58 A 4.0610 8.3482 119.5971 55.3882 18.3459 180.1443 59 R 3.9176 8.4039 116.9765 59.0919 30.2157 179.2462 60 L 3.9758 8.0548 118.8513 58.1365 41.7293 180.1164 61 V 3.8268 8.4295 112.7389 64.0397 31.3759 178.9984 62 G 3.5742 8.3179 105.6069 47.7565 0.0000 175.6196 63 A 4.0123 8.2680 123.7144 54.8728 18.1724 179.9439 64 K 3.9851 7.9122 115.6152 58.6037 32.1484 178.5730 65 L 4.4691 7.6297 116.3679 53.0186 42.7241 175.6434 66 D 4.3342 7.5327 117.4752 55.1193 40.0432 173.4872 67 L 4.3715 7.8740 117.3284 53.9886 43.1193 177.7576 68 D 4.7378 8.2104 121.6476 52.6356 42.2314 177.2485 69 E 3.9647 8.5255 118.0664 59.5964 29.2827 179.2576 70 D 4.3564 8.0442 118.6155 57.3325 40.9013 178.8511 71 S 4.1259 8.6493 116.0350 61.5432 62.6436 176.5955 72 I 3.7012 7.7784 121.7370 64.2723 37.1460 177.8044 73 L 4.2376 8.1525 121.2139 58.3500 41.7184 179.1536 74 L 4.0688 7.9246 117.7332 57.6169 41.7302 179.1865 75 L 4.1654 8.0534 118.6365 56.4480 42.5793 177.2777 76 Q 4.9272 7.4587 119.8624 53.7708 27.4640 175.2995 *78 I 4.0871 7.2754 119.0666 60.4233 39.2241 175.1959 79 P 4.6649 0.0000 0.0000 62.3319 32.7387 176.3142 80 L 4.3117 8.3306 123.5739 54.2453 41.5718 176.5625 81 R 4.1613 8.3380 125.1001 55.6330 30.9515 175.0257 82 G 3.0419 8.2742 107.0731 44.8006 0.0000 173.4648 83 C 4.3340 8.2144 122.1722 58.1742 30.6660 173.9552 84 I 4.0945 7.4335 122.2069 60.2685 37.6165 174.6316 85 D 4.4956 8.8996 125.8362 57.0542 41.2857 176.7948 86 D 4.6179 7.1972 116.4863 53.0396 41.4463 174.0281 87 R 4.2362 8.3180 126.7910 56.4058 29.2111 176.8148 88 I 4.0929 7.1698 115.8944 58.3398 39.1376 173.9962 89 P 4.4495 0.0000 0.0000 62.9167 31.7964 176.3965 90 T 4.2719 8.2644 110.5932 62.5421 69.9348 174.7855 91 D 4.5588 7.9544 121.9425 53.0930 42.2354 173.9554 92 P 4.4866 0.0000 0.0000 66.2619 32.0710 178.8455 93 T 3.7566 7.7318 109.5544 65.2411 68.4679 174.9852 *95 Y 4.3805 7.8895 124.7781 57.7060 40.4189 177.3352 96 R 4.0657 8.0318 117.7382 59.2534 30.0422 178.7511 97 F 4.1056 7.3287 116.1487 60.3398 39.0573 176.7259 98 Y 4.1618 7.9314 118.8967 60.2770 38.7874 179.0293 99 E 3.9742 8.0647 122.2950 55.6751 29.6212 178.5751 *101 L 4.2310 7.9636 118.8224 54.5759 43.8243 179.5943 102 Q 3.8173 7.6773 116.6782 58.3586 28.8647 177.7639 103 V 3.6963 7.7475 116.7022 64.4876 32.1009 176.1109 104 Y 4.6672 7.6287 114.2351 57.5135 39.0057 177.4807 105 G 3.6668 8.3538 109.6385 48.1472 0.0000 176.2834 106 T 4.0175 7.8305 111.7422 64.6089 68.9222 176.9169 107 T 3.9089 7.7980 118.2512 66.3931 68.5049 176.3861 108 L 4.0015 8.4825 121.3668 57.6501 41.5929 179.5089 109 K 3.8080 8.1923 119.1831 59.4092 32.1975 178.6821 110 A 4.0152 8.2051 121.1394 55.3659 18.3291 179.7080 111 L 4.0280 8.3702 117.9137 57.5546 41.5496 179.8676 112 V 3.8048 8.1248 118.7241 66.4935 31.3357 177.7350 113 H 4.9173 8.2138 117.3272 58.4834 28.3220 177.4880 114 E 3.9588 8.1270 119.9603 59.2201 29.5889 178.6214 115 K 3.9662 8.3765 117.8367 58.0350 32.2040 177.9733 116 F 4.2016 9.1656 115.6016 60.4259 41.1654 175.6280 117 G 4.1000 7.2773 102.5428 44.2421 0.0000 172.1066 118 D 4.6408 8.5283 119.3319 54.6281 42.2038 175.9156 119 G 4.1055 7.9201 110.9019 45.2364 0.0000 172.3635 120 I 4.8003 8.2325 113.9720 59.2940 41.7712 174.4528 121 I 4.6412 8.1017 123.5715 59.9384 38.1384 175.8721 122 S 4.2744 9.0632 122.9180 58.2993 62.7890 173.7599 123 A 3.8569 8.5260 127.6236 52.0820 19.3989 177.0438 124 I 4.3034 7.6660 115.4879 63.0829 39.3147 176.5370 125 N 4.8032 8.1374 122.5518 51.8481 37.3515 172.5459 126 F 5.4863 8.0309 122.5236 56.4675 43.0316 172.6682 127 K 4.5470 8.1207 123.3157 55.1992 36.2471 174.7554 128 L 5.1789 8.0040 120.2463 54.3319 43.8034 174.8471 129 D 4.7963 8.7227 118.5084 52.1051 43.5308 173.9911 130 V 4.7609 8.3261 118.9360 61.1881 33.6732 174.6947 131 K 4.7456 9.0359 126.9882 54.4219 35.9163 174.9253 132 K 4.9261 8.5994 124.4335 55.1950 33.6695 175.7254 133 V 4.5963 8.7018 126.3166 60.5962 35.1386 174.4359 134 A 4.3893 8.6969 128.8677 52.1565 19.2074 176.3224 135 D 4.6329 8.8539 121.9164 52.4739 42.1847 175.9375 136 P 4.2517 0.0000 0.0000 65.2272 31.5179 176.8788 137 E 4.2782 8.7404 116.4394 55.8287 29.6589 176.5109 138 G 3.9888 8.3553 107.7592 45.8993 0.0000 175.6857 139 G 3.8315 9.0063 108.5587 44.1093 0.0000 171.7639 140 E 5.2176 8.3542 116.1863 54.6678 33.4976 175.6122 141 R 4.8273 9.1936 120.1892 54.4160 34.4084 174.1874 142 A 5.0595 8.5723 122.9007 50.4219 21.2399 176.4803 143 V 4.2497 8.8515 122.8669 61.3659 33.5886 174.2806 144 I 4.9048 8.4333 129.0437 59.9128 39.3343 175.2396 145 T 4.5613 8.7851 123.9831 61.8015 70.7895 173.1526 146 L 4.7631 8.5546 126.7650 53.2424 43.6375 175.8927 147 D 4.5752 8.5544 123.2635 52.5610 43.5982 174.0385 148 G 4.6714 8.5380 111.9225 43.8312 0.0000 170.6967 149 K 4.3744 8.8345 123.5327 56.1439 34.0031 175.2348 150 Y 4.7694 8.5922 127.5602 57.2119 40.3370 173.7114 151 L 4.3935 8.5591 127.3077 52.0188 44.2274 174.2473 152 P 4.4556 0.0000 0.0000 62.7170 32.4118 176.1733 153 T 4.4354 8.6000 119.2943 62.5716 69.3772 174.3071 154 K 4.6056 8.4405 125.4817 53.4809 35.1084 174.7472 155 P 4.4214 0.0000 0.0000 62.5432 31.9822 176.8192 156 F 4.5840 8.0320 114.8938 57.0942 37.9505 174.9078 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 I 8.02 4.17 1.88 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 1.42 1.36 0.91 0.00 0.00 3 Q 8.35 4.49 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 S 9.13 4.86 0.00 3.91 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 5 Q 8.76 4.54 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 6 I 8.14 4.46 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.66 0.91 0.00 0.00 7 N 7.83 4.92 0.00 2.76 2.66 0.00 0.00 6.94 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.60 4.00 0.00 2.06 2.28 0.00 3.12 0.00 0.00 3.32 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 9 N 8.79 4.35 0.00 2.83 2.91 0.00 0.00 6.84 7.85 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 10 I 7.51 3.70 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.72 0.91 0.00 0.00 11 R 7.90 4.02 0.00 1.81 1.96 0.00 3.28 0.00 0.00 3.52 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 12 L 8.15 4.03 0.00 1.69 1.70 0.91 0.89 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 13 D 8.35 4.36 0.00 2.91 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 14 L 7.99 3.95 0.00 1.78 1.82 0.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.21 4.14 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 16 D 8.20 4.28 0.00 2.87 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 17 A 8.01 4.01 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 18 I 8.18 3.66 2.05 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 1.53 0.65 0.95 0.00 0.00 19 L 8.27 4.11 0.00 1.84 1.74 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.04 3.95 0.00 1.77 1.80 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.20 4.04 0.00 3.92 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 22 K 8.46 3.75 0.00 1.77 1.88 0.00 1.15 0.00 0.00 1.21 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.22 7.81 23 A 8.03 3.98 1.34 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 0.00 0.00 24 K 8.04 3.94 0.00 1.89 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.60 7.81 25 K 8.10 4.17 0.00 1.74 1.82 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.43 1.55 7.81 26 D 7.57 4.28 0.00 2.75 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.66 4.71 0.00 1.56 1.47 0.88 0.73 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 28 S 8.45 4.65 0.00 4.04 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 29 F 8.35 4.18 0.00 3.21 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 30 A 8.12 4.12 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 31 E 8.28 4.02 0.00 2.13 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 0.00 2.55 2.32 0.00 32 I 7.63 3.85 2.06 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.61 0.96 0.00 0.00 33 A 8.29 4.21 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 34 D 7.52 4.51 0.00 2.73 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 35 G 9.07 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 36 T 7.74 4.00 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 1.30 0.00 0.00 37 G 8.37 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 38 L 7.55 4.69 0.00 1.73 1.67 1.05 0.41 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 39 A 8.32 4.16 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 40 E 8.91 3.92 0.00 2.08 1.99 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 2.42 2.47 0.00 41 A 7.98 3.94 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 42 F 8.00 3.83 0.00 3.20 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 43 V 8.05 3.59 2.16 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 1.04 0.00 0.00 1.14 0.00 0.00 44 T 8.07 3.75 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 0.26 0.00 0.00 45 A 7.76 3.83 1.18 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 0.00 0.00 46 A 7.67 4.18 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 47 L 7.76 4.01 0.00 1.86 1.85 1.14 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.67 4.47 0.00 1.53 1.63 0.74 0.92 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 49 G 8.15 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 50 Q 8.24 4.52 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 51 Q 7.44 4.63 0.00 1.40 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.01 1.40 0.00 52 A 8.43 4.91 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 53 L 8.78 4.50 0.00 1.66 1.66 0.95 1.19 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 54 P 0.00 4.44 0.00 2.20 1.99 0.00 3.71 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 55 A 8.71 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.12 4.29 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 57 A 8.00 4.02 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 58 A 8.35 4.06 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 59 R 8.40 3.92 0.00 2.08 2.00 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 60 L 8.05 3.98 0.00 1.91 1.73 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.43 3.83 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 0.89 0.00 0.00 1.05 0.00 0.00 62 G 8.32 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.27 4.01 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 64 K 7.91 3.99 0.00 1.95 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.67 7.81 65 L 7.63 4.47 0.00 1.69 1.66 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.53 4.33 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 67 L 7.87 4.37 0.00 1.68 1.58 0.93 0.91 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 68 D 8.21 4.74 0.00 2.94 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 69 E 8.53 3.96 0.00 2.00 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 2.40 2.34 0.00 70 D 8.04 4.36 0.00 2.76 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 71 S 8.65 4.13 0.00 3.99 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.78 3.70 2.02 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 1.42 0.57 0.92 0.00 0.00 73 L 8.15 4.24 0.00 1.84 1.84 0.93 0.70 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 74 L 7.92 4.07 0.00 1.82 1.72 0.92 1.30 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 75 L 8.05 4.17 0.00 1.89 1.73 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.46 4.93 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.40 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 *78 I 7.28 4.09 1.88 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 1.42 0.84 0.92 0.00 0.00 79 P 0.00 4.66 0.00 2.12 2.04 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 80 L 8.33 4.31 0.00 1.82 1.65 0.91 0.94 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 81 R 8.34 4.16 0.00 1.82 1.81 0.00 3.24 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 82 G 8.27 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 0.00 0.00 0.00 83 C 8.21 4.33 0.00 3.05 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 84 I 7.43 4.09 1.85 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 1.29 0.55 0.93 0.00 0.00 85 D 8.90 4.50 0.00 2.60 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 7.20 4.62 0.00 2.57 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 87 R 8.32 4.24 0.00 1.98 2.05 0.00 3.21 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 88 I 7.17 4.09 1.74 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.73 0.54 0.00 0.00 89 P 0.00 4.45 0.00 2.17 2.03 0.00 3.33 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 90 T 8.26 4.27 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 1.19 0.00 0.00 91 D 7.95 4.56 0.00 2.68 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 92 P 0.00 4.49 0.00 2.26 2.12 0.00 3.70 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 93 T 7.73 3.76 4.49 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 1.35 0.00 0.00 *95 Y 7.89 4.38 0.00 3.20 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 96 R 8.03 4.07 0.00 1.53 1.74 0.00 3.41 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.77 0.00 97 F 7.33 4.11 0.00 3.14 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 98 Y 7.93 4.16 0.00 2.91 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 99 E 8.06 3.97 0.00 1.91 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 2.28 2.36 0.00 *101 L 7.96 4.23 0.00 1.64 1.56 0.90 0.93 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 0.00 102 Q 7.68 3.82 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 1.64 2.21 0.00 103 V 7.75 3.70 1.82 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 0.09 0.00 0.00 0.84 0.00 0.00 104 Y 7.63 4.67 0.00 3.01 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 0.00 105 G 8.35 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 0.00 106 T 7.83 4.02 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 1.20 0.00 0.00 107 T 7.80 3.91 4.61 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 1.33 0.00 0.00 108 L 8.48 4.00 0.00 1.83 1.73 0.95 1.06 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 0.00 109 K 8.19 3.81 0.00 1.83 1.98 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.46 7.81 110 A 8.21 4.02 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 0.00 111 L 8.37 4.03 0.00 1.71 1.76 0.94 0.70 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 0.00 112 V 8.12 3.80 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 1.05 0.00 0.00 0.90 0.00 0.00 113 H 8.21 4.92 0.00 3.25 3.36 0.00 5.68 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 0.00 114 E 8.13 3.96 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 115 K 8.38 3.97 0.00 1.41 1.29 0.00 1.72 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.58 7.81 116 F 9.17 4.20 0.00 2.55 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.28 4.10 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 0.00 0.00 0.00 118 D 8.53 4.64 0.00 2.72 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 0.00 119 G 7.92 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 0.00 120 I 8.23 4.80 1.85 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 1.18 1.25 0.92 0.00 0.00 121 I 8.10 4.64 1.82 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.67 0.93 0.00 0.00 122 S 9.06 4.27 0.00 3.90 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 0.00 123 A 8.53 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 7.67 4.30 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.95 0.93 0.00 0.00 125 N 8.14 4.80 0.00 2.79 2.74 0.00 0.00 6.71 8.22 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 0.00 126 F 8.03 5.49 0.00 3.12 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 0.00 127 K 8.12 4.55 0.00 1.63 1.67 0.00 1.22 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.13 1.15 7.81 128 L 8.00 5.18 0.00 1.70 1.34 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.72 4.80 0.00 2.69 2.69 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 0.00 0.00 0.00 0.00 130 V 8.33 4.76 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 0.88 0.00 0.00 0.91 0.00 0.00 131 K 9.04 4.75 0.00 1.71 1.65 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.49 7.81 132 K 8.60 4.93 0.00 1.78 1.71 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.44 7.81 133 V 8.70 4.60 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 0.90 0.00 0.00 0.94 0.00 0.00 134 A 8.70 4.39 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 0.00 135 D 8.85 4.63 0.00 2.70 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 P 0.00 4.25 0.00 2.08 2.10 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 137 E 8.74 4.28 0.00 2.02 1.98 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 2.31 2.25 0.00 138 G 8.36 3.99 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 0.00 0.00 0.00 139 G 9.01 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 0.00 0.00 0.00 140 E 8.35 5.22 0.00 1.82 1.82 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 2.21 2.31 0.00 141 R 9.19 4.83 0.00 1.68 1.78 0.00 3.24 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 142 A 8.57 5.06 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 0.00 143 V 8.85 4.25 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 1.05 0.00 0.00 0.94 0.00 0.00 144 I 8.43 4.90 2.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.85 0.98 0.00 0.00 145 T 8.79 4.56 4.44 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 1.18 0.00 0.00 146 L 8.55 4.76 0.00 1.64 1.93 1.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.55 4.58 0.00 2.66 2.42 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 0.00 148 G 8.54 4.67 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 0.00 149 K 8.83 4.37 0.00 1.94 1.70 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.45 7.81 150 Y 8.59 4.77 0.00 2.70 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 0.00 151 L 8.56 4.39 0.00 1.40 1.37 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.46 0.00 2.04 1.96 0.00 3.47 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.90 0.00 153 T 8.60 4.44 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 1.30 0.00 0.00 154 K 8.44 4.61 0.00 1.76 1.74 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.44 7.81 155 P 0.00 4.42 0.00 2.02 1.91 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 156 F 8.03 4.58 0.00 3.03 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 * Residues marked with a * may have inaccurate shift predictions.