NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1C H 4.6908 8.4449 117.3673 54.7770 30.6254 174.2964 1D H 4.3490 7.9531 118.0818 56.9848 29.2634 173.5867 1E H 5.1190 7.7401 114.6826 53.4248 33.3567 171.8595 1F H 4.6296 8.9039 116.6933 55.9535 28.9404 174.4458 1G F 4.9491 8.4219 119.4496 57.8477 39.9187 174.1739 2 N 4.6438 8.4210 117.1510 52.2524 39.0307 174.5902 3 L 4.8656 8.0917 122.9815 51.9585 44.5887 174.4843 4 P 4.5870 0.0000 0.0000 61.0416 32.4850 174.3447 5 P 4.2848 0.0000 0.0000 62.2653 31.7373 176.3411 6 G 3.5318 8.4267 111.2882 47.4583 0.0000 174.6214 7 N 4.9161 6.8977 118.4875 51.6619 38.7929 172.7510 8 Y 5.2015 7.2623 117.8716 57.7499 41.1398 178.7013 9 K 4.1924 8.4212 120.6361 56.6687 31.9234 182.0953 10 K 4.8275 7.6014 116.3125 53.1147 35.4727 173.9944 11 P 4.7473 0.0000 0.0000 63.2092 32.1866 175.3725 12 K 4.9807 9.3585 119.7001 55.0033 37.3625 174.8991 13 L 5.1569 9.1910 121.7565 53.6089 44.0349 176.2313 14 L 5.0020 8.8898 123.8152 53.6537 42.3925 173.9448 15 Y 4.7138 9.0291 126.0601 56.7201 40.4214 173.5294 16 C 3.8606 8.8151 129.2148 58.0115 32.1127 174.3966 17 S 3.6859 8.0158 122.0265 60.7548 62.7124 174.8232 18 N 3.9627 8.1119 118.6621 56.0815 38.7382 174.9225 19 G 3.8782 7.5237 104.6015 44.4931 0.0000 172.4646 20 G 3.2798 7.3390 105.9142 44.7113 0.0000 173.5719 21 H 4.9679 7.1569 114.4905 53.6984 32.6423 174.6415 22 F 5.3169 9.3325 120.9919 55.8572 40.7947 175.3384 23 L 4.5886 9.1153 126.2851 55.8308 43.3102 175.7708 24 R 5.1863 9.2422 124.8838 54.9745 34.1430 173.5304 25 I 5.0388 8.3285 126.1270 59.5383 39.4460 175.7541 26 L 4.1698 9.2579 127.9775 53.3036 42.4123 176.3623 27 P 4.3219 0.0000 0.0000 65.8884 31.2761 177.0454 28 D 4.5820 8.0669 114.8310 53.2502 39.6186 177.0096 29 G 4.4806 8.8708 108.3813 45.9753 0.0000 173.5266 30 T 4.4200 8.2845 117.6206 62.8578 69.1165 173.7840 31 V 4.8598 8.1504 125.7513 61.2338 33.8335 174.2227 32 D 4.6329 8.6447 124.9918 52.8920 42.6783 173.6861 33 G 4.5470 8.6635 105.2490 45.1249 0.0000 172.7542 34 T 5.0048 9.0211 117.1813 60.4171 70.8963 174.5803 35 R 4.2650 8.8836 124.6042 56.6978 31.0906 176.5250 36 D 4.5699 8.1964 118.8699 53.4438 39.8100 176.4634 37 R 3.6113 8.6125 126.8074 57.8113 30.2223 176.9698 38 S 4.5569 8.3400 111.2681 58.3889 63.3568 173.9131 39 D 4.4066 7.7903 120.8846 55.0138 41.3217 175.9180 40 Q 4.2977 8.3966 122.6672 56.3864 29.1565 175.7617 41 H 4.7937 9.0646 115.7345 55.4624 29.4299 174.5306 42 I 4.8437 7.2237 110.5986 60.0488 38.5087 174.9877 43 Q 4.5458 7.3447 123.0565 54.8372 30.4248 174.5970 44 F 5.2667 9.2283 122.4701 55.5543 43.5351 173.8930 45 Q 4.9119 9.4915 123.3913 54.5992 30.4906 174.3707 46 L 5.3162 8.6396 126.6722 53.6870 44.4047 175.7699 47 S 4.3614 8.4691 114.9122 56.6400 66.9082 172.8336 48 A 4.5265 7.8373 125.0860 51.3538 19.4737 177.1096 49 E 4.1933 8.7815 123.5129 58.1485 30.4725 176.7906 50 S 4.6000 7.3521 112.1223 56.4912 67.0564 173.3790 51 V 3.7835 8.2932 122.2906 64.7691 31.5233 176.5150 52 G 3.9690 9.2176 115.6943 45.0254 0.0000 171.8273 53 E 5.1284 8.2329 120.4129 54.8627 31.6960 175.7083 54 V 4.9414 8.9932 116.8275 59.9111 36.8661 173.8712 55 Y 5.4985 8.5560 119.0115 56.5940 41.3342 175.5216 56 I 4.4474 8.5724 122.5536 59.5939 40.1041 173.7347 57 K 4.7759 8.7466 129.1570 54.0851 34.7100 175.1790 58 S 4.3440 9.3108 123.5270 58.4737 62.6469 174.9522 59 T 3.9026 8.2384 118.5829 64.8370 68.8125 176.0237 60 E 3.9620 8.2129 122.3590 58.9159 29.8439 177.3305 61 T 4.2049 7.8752 106.4001 61.1544 69.8759 175.8540 62 G 3.8478 8.5042 109.8612 44.9453 0.0000 173.6201 63 Q 4.4148 7.7717 119.3556 56.1388 30.1712 174.6542 64 Y 5.0135 9.0615 120.7895 56.1480 40.1688 175.0555 65 L 4.3525 9.0314 126.8467 55.3606 43.3687 175.6122 66 A 5.1205 8.8626 126.5621 50.7382 23.4332 174.3673 67 M 5.3160 8.5958 118.7474 53.7990 34.8646 175.3592 68 D 5.2559 9.5272 126.7759 52.7612 40.8574 177.0311 69 T 3.9841 8.5554 113.0207 64.9361 67.2644 174.0606 70 D 4.7115 8.9507 119.5652 53.9792 41.1793 177.2598 71 G 3.2457 8.6421 108.7883 44.9113 0.0000 173.1961 72 L 4.5529 7.7549 120.2762 53.7025 42.6919 175.7666 73 V 4.7190 8.3040 123.8996 62.7441 32.4925 174.3648 74 Y 4.9365 9.0077 125.2168 55.8083 42.3595 173.5326 75 G 4.2731 8.7879 107.3953 44.9578 0.0000 173.2422 76 S 5.0278 9.4225 124.3539 57.4202 63.7508 175.9145 77 Q 4.2710 9.1329 125.7765 57.2621 28.3070 174.0436 78 T 4.7596 7.5275 105.9489 58.6161 71.6440 171.6492 79 P 3.6015 0.0000 0.0000 62.2593 32.1033 175.1717 80 N 4.8709 8.0706 119.7147 52.2085 40.5241 175.1676 81 E 3.9768 8.8099 112.8640 59.1290 29.9223 174.7845 82 E 4.2962 8.8437 116.6138 58.3949 29.7325 177.8978 83 C 4.9392 8.0337 115.2794 59.6427 29.0175 173.5468 84 L 4.6882 7.4505 120.3879 54.1452 42.5753 175.9591 85 F 5.1742 9.1177 121.7464 55.5867 43.3372 174.3933 86 L 4.7802 9.4356 124.0521 53.8216 42.5563 175.7092 87 E 4.4862 9.0910 127.4165 55.5125 29.9720 175.8492 88 R 4.8324 8.6182 125.7664 54.0350 34.6985 174.6779 89 L 4.7638 8.5672 123.6998 55.0550 43.1267 175.7878 90 E 4.6742 9.0858 125.3908 55.2236 33.6889 174.9051 91 E 3.9790 10.3045 124.0874 57.4142 27.8899 176.9611 92 N 4.4661 8.5662 114.1549 54.2192 37.2123 174.7992 93 H 4.7614 7.8235 110.9065 55.0368 31.4361 172.7969 94 Y 4.8089 8.0779 117.3362 56.7948 40.7708 173.9715 95 N 5.5803 9.6885 118.0777 51.8940 41.3445 174.5006 96 T 5.2515 9.0757 112.9893 60.1047 72.7362 172.6987 97 Y 4.9389 8.6496 119.8614 56.6022 41.0273 174.2354 98 I 4.5045 8.5365 126.1747 59.2882 39.3873 175.5543 99 S 3.8198 8.7514 122.6910 58.3035 62.3289 173.8736 100 K 3.9564 8.7683 129.4500 59.4297 32.2652 178.6261 101 K 3.7209 7.9432 118.0209 59.1757 32.1674 176.7351 102 H 4.6200 8.0978 114.2941 55.1271 29.2880 176.1699 103 A 3.8977 7.7137 126.5711 55.3273 18.1972 180.8625 104 E 3.5979 7.8144 112.0806 58.4756 29.7550 177.6646 105 K 4.1165 7.6576 117.3052 55.4624 32.7649 175.8219 106 N 3.9777 7.4980 115.6215 53.9695 36.4570 174.6199 107 W 5.1483 7.6786 117.5633 56.0102 31.0988 177.3896 108 F 5.5154 9.4232 123.3712 55.3372 42.2507 174.3262 109 L 4.5493 9.1854 122.4878 54.8029 43.1992 175.6510 110 G 4.7079 8.3854 110.1600 46.4652 0.0000 171.8137 111 I 5.0359 8.0196 121.9627 58.8608 40.2694 175.9922 112 K 4.1789 8.9332 126.7341 55.8008 32.6399 178.3336 113 K 4.0065 8.3989 119.5833 59.3059 31.9660 178.0000 114 N 4.5351 8.0544 113.8828 52.8778 37.7584 175.8536 115 G 3.5518 8.0667 108.6621 45.0977 0.0000 173.1069 116 S 4.8538 8.2433 115.6992 57.1594 64.7767 174.2327 117 V 4.2911 8.2555 122.4784 61.6401 32.2291 175.8268 118 K 4.3759 8.6605 122.8393 55.5935 33.4907 176.7194 119 R 4.1518 8.5319 122.6719 55.6861 31.1688 177.4211 120 G 3.1610 8.3452 114.9685 48.2152 0.0000 174.3030 121 P 4.3594 0.0000 0.0000 64.2835 31.4616 177.8087 122 R 4.1607 7.9071 116.4698 57.2327 30.3926 176.6545 123 T 5.0265 7.5777 107.8829 60.1354 70.5915 173.5085 124 H 4.6844 7.8318 114.7910 54.9602 30.4548 173.1929 125 Y 4.0876 8.7424 118.7073 59.9805 38.1244 177.0187 126 G 4.0663 9.0231 111.6054 45.4943 0.0000 174.0127 127 Q 4.2285 7.5464 118.2902 55.3830 29.7989 177.1747 128 K 3.8729 8.3381 119.0077 58.7564 32.8723 179.4629 129 A 3.8970 7.8194 121.6731 54.5355 18.3437 178.4770 130 I 4.4722 7.2051 106.1376 60.6746 38.5125 175.3740 131 L 4.3946 7.3410 123.1148 54.0494 42.5838 175.8231 132 F 5.3772 9.3264 122.4335 55.4533 43.5098 174.0594 133 L 5.2806 9.1726 123.2420 52.7391 44.5560 173.5574 134 P 5.1074 0.0000 0.0000 62.6507 32.1157 175.5967 135 L 4.9722 9.1876 125.5337 51.8366 44.5644 174.4569 136 P 4.6095 0.0000 0.0000 62.8414 32.2035 176.5200 137 V 3.7462 8.2332 120.2498 63.3033 31.5226 175.7131 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 *1C H 8.44 4.69 0.00 2.95 2.98 0.00 7.16 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 7.95 4.35 0.00 3.20 3.27 0.00 5.61 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.74 5.12 0.00 3.21 3.41 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.90 4.63 0.00 3.32 3.39 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.42 4.95 0.00 2.83 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 2 N 8.42 4.64 0.00 2.96 2.78 0.00 0.00 6.82 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 3 L 8.09 4.87 0.00 1.46 1.39 0.54 0.33 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 4 P 0.00 4.59 0.00 2.16 2.19 0.00 3.71 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 1.96 1.91 0.00 5 P 0.00 4.28 0.00 2.15 2.06 0.00 3.78 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 1.96 1.94 0.00 6 G 8.43 3.53 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 0.00 0.00 0.00 7 N 6.90 4.92 0.00 2.71 2.59 0.00 0.00 6.55 7.55 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 8 Y 7.26 5.20 0.00 2.99 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 9 K 8.42 4.19 0.00 1.77 1.73 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.04 7.81 10 K 7.60 4.83 0.00 1.71 1.72 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.39 7.81 11 P 0.00 4.75 0.00 2.06 2.05 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 12 K 9.36 4.98 0.00 1.71 1.80 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.63 7.81 13 L 9.19 5.16 0.00 1.79 1.84 0.79 0.75 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 14 L 8.89 5.00 0.00 1.50 1.53 0.15 0.78 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 15 Y 9.03 4.71 0.00 3.26 3.14 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 16 C 8.82 3.86 0.00 2.34 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 0.00 0.00 0.00 0.00 17 S 8.02 3.69 0.00 3.93 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.11 3.96 0.00 2.56 2.69 0.00 0.00 6.75 7.98 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 19 G 7.52 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 0.00 0.00 0.00 20 G 7.34 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 0.00 0.00 0.00 21 H 7.16 4.97 0.00 2.99 3.24 0.00 5.80 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 22 F 9.33 5.32 0.00 3.06 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 23 L 9.12 4.59 0.00 1.80 1.52 0.84 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.24 5.19 0.00 2.04 2.06 0.00 3.21 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.86 0.00 25 I 8.33 5.04 1.99 0.00 0.00 1.00 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 1.21 0.97 0.00 0.00 26 L 9.26 4.17 0.00 1.75 1.52 0.93 0.91 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 27 P 0.00 4.32 0.00 2.01 2.12 0.00 3.51 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 28 D 8.07 4.58 0.00 2.77 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 29 G 8.87 4.48 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 0.00 30 T 8.28 4.42 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 1.23 0.00 0.00 31 V 8.15 4.86 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 0.90 0.00 0.00 1.02 0.00 0.00 32 D 8.64 4.63 0.00 2.89 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 33 G 8.66 4.55 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 0.00 0.00 0.00 34 T 9.02 5.00 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 1.43 0.00 0.00 35 R 8.88 4.27 0.00 1.89 2.01 0.00 3.22 0.00 0.00 3.11 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.49 0.00 36 D 8.20 4.57 0.00 2.83 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 37 R 8.61 3.61 0.00 1.89 1.91 0.00 3.47 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.99 0.00 38 S 8.34 4.56 0.00 3.95 3.90 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 39 D 7.79 4.41 0.00 2.80 2.58 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 40 Q 8.40 4.30 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.16 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 41 H 9.06 4.79 0.00 3.28 3.41 0.00 5.77 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.22 4.84 1.96 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.37 1.06 0.00 0.00 43 Q 7.34 4.55 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 44 F 9.23 5.27 0.00 2.96 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 45 Q 9.49 4.91 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 46 L 8.64 5.32 0.00 2.14 1.75 0.99 0.83 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 47 S 8.47 4.36 0.00 3.80 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 48 A 7.84 4.53 1.08 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 0.00 0.00 49 E 8.78 4.19 0.00 1.64 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 1.72 1.47 0.00 50 S 7.35 4.60 0.00 3.81 3.70 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 51 V 8.29 3.78 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 0.94 0.00 0.00 1.02 0.00 0.00 52 G 9.22 3.97 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 0.00 0.00 0.00 53 E 8.23 5.13 0.00 2.09 1.77 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 2.24 2.29 0.00 54 V 8.99 4.94 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 0.89 0.00 0.00 1.22 0.00 0.00 55 Y 8.56 5.50 0.00 2.97 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 56 I 8.57 4.45 1.58 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.56 0.37 0.00 0.00 57 K 8.75 4.78 0.00 1.13 1.52 0.00 1.27 0.00 0.00 1.13 0.00 0.00 2.70 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.03 0.68 7.81 58 S 9.31 4.34 0.00 3.83 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 59 T 8.24 3.90 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 1.13 0.00 0.00 60 E 8.21 3.96 0.00 1.88 1.93 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 2.20 2.34 0.00 61 T 7.88 4.20 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 1.22 0.00 0.00 62 G 8.50 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 63 Q 7.77 4.41 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 64 Y 9.06 5.01 0.00 2.90 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 65 L 9.03 4.35 0.00 1.47 1.34 0.73 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.86 5.12 0.48 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 67 M 8.60 5.32 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 68 D 9.53 5.26 0.00 2.97 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 69 T 8.56 3.98 4.34 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 1.27 0.00 0.00 70 D 8.95 4.71 0.00 2.76 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 71 G 8.64 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 0.00 0.00 0.00 72 L 7.75 4.55 0.00 2.00 1.65 0.91 0.79 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 73 V 8.30 4.72 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 0.86 0.00 0.00 1.01 0.00 0.00 74 Y 9.01 4.94 0.00 3.04 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 75 G 8.79 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 0.00 0.00 0.00 0.00 76 S 9.42 5.03 0.00 3.95 3.75 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 77 Q 9.13 4.27 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.55 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 78 T 7.53 4.76 4.17 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 1.22 0.00 0.00 79 P 0.00 3.60 0.00 1.57 0.49 0.00 3.53 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.20 0.00 80 N 8.07 4.87 0.00 2.91 2.91 0.00 0.00 6.37 7.66 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 81 E 8.81 3.98 0.00 1.91 2.01 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 2.32 1.91 0.00 82 E 8.84 4.30 0.00 2.28 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 0.00 2.41 2.35 0.00 83 C 8.03 4.94 0.00 3.08 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 84 L 7.45 4.69 0.00 1.59 1.50 0.88 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 85 F 9.12 5.17 0.00 3.14 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 86 L 9.44 4.78 0.00 1.50 1.63 0.90 0.76 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 87 E 9.09 4.49 0.00 2.18 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 2.20 2.06 0.00 88 R 8.62 4.83 0.00 1.79 1.83 0.00 3.05 0.00 0.00 2.98 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 89 L 8.57 4.76 0.00 1.61 1.67 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.09 4.67 0.00 2.21 1.84 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 2.30 2.41 0.00 91 E 10.30 3.98 0.00 2.37 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 2.29 2.33 0.00 92 N 8.57 4.47 0.00 2.51 2.75 0.00 0.00 6.89 8.16 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 93 H 7.82 4.76 0.00 2.58 3.01 0.00 5.83 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.08 4.81 0.00 3.00 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 95 N 9.69 5.58 0.00 2.87 2.50 0.00 0.00 6.96 6.92 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 96 T 9.08 5.25 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 1.41 0.00 0.00 97 Y 8.65 4.94 0.00 2.74 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 98 I 8.54 4.50 1.65 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.70 0.53 0.00 0.00 99 S 8.75 3.82 0.00 3.83 4.02 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 0.00 100 K 8.77 3.96 0.00 1.73 1.70 0.00 1.64 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.33 7.81 101 K 7.94 3.72 0.00 1.61 1.65 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.88 1.17 7.81 102 H 8.10 4.62 0.00 3.13 2.22 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.71 3.90 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 0.00 104 E 7.81 3.60 0.00 1.79 1.61 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 2.06 2.12 0.00 105 K 7.66 4.12 0.00 0.86 1.57 0.00 1.34 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 0.96 7.81 106 N 7.50 3.98 0.00 3.06 3.07 0.00 0.00 6.90 7.69 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 0.00 107 W 7.68 5.15 0.00 3.26 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 0.00 108 F 9.42 5.52 0.00 2.81 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 0.00 109 L 9.19 4.55 0.00 1.68 1.58 0.80 0.55 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 0.00 110 G 8.39 4.71 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 0.00 111 I 8.02 5.04 1.72 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.89 0.77 0.00 0.00 112 K 8.93 4.18 0.00 1.92 1.68 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.47 7.81 113 K 8.40 4.01 0.00 1.71 1.85 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.37 7.81 114 N 8.05 4.54 0.00 2.79 2.90 0.00 0.00 6.20 7.00 0.00 0.00 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 G 8.07 3.55 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 0.00 0.00 0.00 116 S 8.24 4.85 0.00 3.88 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 0.00 117 V 8.26 4.29 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 0.77 0.00 0.00 0.99 0.00 0.00 118 K 8.66 4.38 0.00 1.63 1.72 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.33 7.81 119 R 8.53 4.15 0.00 1.73 1.61 0.00 3.21 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.46 0.00 120 G 8.35 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 0.00 0.00 0.00 121 P 0.00 4.36 0.00 1.99 2.24 0.00 2.91 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 122 R 7.91 4.16 0.00 1.79 1.93 0.00 3.28 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 123 T 7.58 5.03 4.28 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 1.24 0.00 0.00 124 H 7.83 4.68 0.00 3.37 3.51 0.00 5.47 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.74 4.09 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 0.00 126 G 9.02 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 0.00 127 Q 7.55 4.23 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 128 K 8.34 3.87 0.00 1.73 1.66 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.28 7.81 129 A 7.82 3.90 1.23 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 0.00 0.00 0.00 130 I 7.21 4.47 1.68 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.26 0.54 0.00 0.00 131 L 7.34 4.39 0.00 0.97 0.63 0.54 0.77 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 0.00 132 F 9.33 5.38 0.00 3.35 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 0.00 133 L 9.17 5.28 0.00 2.16 1.76 1.06 1.09 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 0.00 134 P 0.00 5.11 0.00 2.22 2.21 0.00 3.91 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 2.06 2.15 0.00 135 L 9.19 4.97 0.00 1.72 1.67 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.61 0.00 2.06 2.06 0.00 3.53 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 137 V 8.23 3.75 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 0.71 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.