NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.1509 8.3149 121.7939 56.8056 33.3903 173.9069 7 L 3.8143 8.4987 123.0514 53.9307 41.0554 172.5371 8 P 4.5445 0.0000 0.0000 61.2888 33.0429 173.4132 9 P 4.3397 0.0000 0.0000 64.6349 31.5429 177.2505 10 G 3.9259 9.0770 111.1076 45.1854 0.0000 172.8747 11 W 5.1191 7.9333 119.7345 56.6737 29.9599 175.6113 12 E 4.9226 9.5138 123.6469 54.6733 33.2203 173.8374 13 K 4.1492 8.7595 127.5478 56.4320 33.1201 175.8476 14 R 4.6017 8.7722 125.4148 54.4843 34.8751 173.5178 15 M 5.2788 7.9883 118.1313 53.8813 35.4489 174.8543 16 S 4.5482 9.2703 121.7705 58.3650 64.2721 174.3112 17 R 3.9361 8.6120 123.0559 57.5540 30.3844 176.3112 18 S 3.8047 8.9685 114.8129 58.8239 60.7142 170.7690 19 S 4.6556 7.8809 111.6465 57.0113 65.8417 173.6501 20 G 3.9855 8.4664 106.5222 45.2414 0.0000 173.5197 21 R 4.3091 8.1775 120.8275 56.0347 30.8780 175.6846 22 V 4.8104 8.6566 124.9546 61.9112 33.2474 174.3115 23 Y 4.9858 8.6027 124.7137 56.5338 42.0771 172.4222 24 Y 5.1406 9.5002 116.6815 56.3195 40.9602 175.1610 25 F 5.5295 9.6299 125.6343 56.4698 43.3846 172.9091 26 N 4.4566 7.5207 124.2191 51.7974 39.6090 175.1314 27 H 4.1416 8.9416 124.6111 58.2624 28.7849 176.9762 28 I 4.0050 7.9716 119.0384 62.8220 37.7185 176.7566 29 T 4.0888 7.5268 108.0456 60.7711 69.8075 175.2941 30 N 3.9710 7.9382 118.7854 53.7029 36.9134 173.3852 31 A 4.5199 7.0583 120.3857 51.8938 19.7414 177.4956 32 S 5.6494 8.5832 116.5063 57.0156 66.4508 173.4813 33 Q 4.5320 9.3080 120.4987 54.9545 31.5291 175.7145 34 W 4.7199 8.7858 120.6164 59.5032 29.6429 177.1546 35 E 4.2542 8.1892 117.6118 55.4511 29.3402 176.5079 36 R 2.5100 8.2342 123.7026 55.2502 30.4881 175.0891 37 P 3.9767 0.0000 0.0000 62.9976 31.0565 175.3111 38 S 4.2986 6.8730 111.4725 57.9446 65.2497 174.0870 39 G 3.4474 7.8916 110.4957 46.8888 0.0000 173.8576 *45 G 3.6678 7.7285 109.1319 44.3533 0.0000 171.6695 46 K 4.5715 8.3911 123.3497 54.4346 33.9062 175.3406 47 N 4.9035 8.3178 121.5626 52.7157 40.0783 174.4390 48 G 3.8972 8.9628 108.4376 46.1145 0.0000 174.2789 49 Q 3.9836 8.1751 122.4747 56.6222 29.9060 177.9713 50 G 3.7845 8.0317 106.2740 45.8177 0.0000 171.8146 51 E 4.8277 8.4295 119.1073 53.1736 32.6686 174.0886 52 P 4.4255 0.0000 0.0000 62.8591 31.8868 176.4238 53 A 4.3098 8.4845 122.2703 54.1641 19.1104 177.7262 54 R 5.0553 7.6518 114.4042 55.1995 33.3771 174.4962 55 V 4.4629 8.1879 117.2220 59.5890 36.8862 174.0140 56 R 4.8889 8.6099 121.8273 53.8014 32.8942 174.0443 57 C 5.4074 8.8335 121.9542 58.2898 33.0020 172.8071 58 S 5.5328 8.9815 116.2812 57.4264 66.2895 172.9114 59 H 5.5215 9.3514 116.3712 54.5871 32.1730 172.5217 60 L 4.5903 9.3389 121.2227 53.3232 44.7663 174.6079 61 L 4.9654 8.5787 129.0064 53.3817 44.6003 175.2006 62 V 4.7459 8.6430 126.0186 61.0824 33.7744 175.2528 63 K 4.6053 9.0059 128.2919 56.2495 33.5085 175.5370 64 H 5.0051 8.7406 116.3211 53.9302 31.6709 174.4439 65 S 4.1883 9.0418 114.5892 61.4678 62.4524 175.4061 66 Q 4.4082 8.1835 117.0685 55.8537 28.8421 176.0451 67 S 4.4130 7.9234 115.8098 58.0574 63.4131 174.4852 68 R 3.9838 8.2870 120.9060 58.7870 28.9725 176.6109 69 R 4.3964 7.5245 117.7471 53.4511 31.0672 172.9843 70 P 4.6072 0.0000 0.0000 60.3846 30.1247 175.7111 71 S 4.8411 7.2693 113.4984 58.3361 65.7888 172.8097 72 S 4.5816 8.4975 119.3240 57.2016 65.6159 175.5251 73 W 4.3606 8.6467 116.7854 58.9781 28.0139 177.5729 74 R 3.5277 6.8625 118.3050 58.3064 29.8899 176.9102 75 Q 4.4507 7.4428 111.9288 54.9142 31.5609 174.5576 76 E 3.8258 9.0980 122.6669 58.4931 29.8372 176.8519 77 K 4.5990 7.6305 118.4256 54.4664 34.5578 175.0152 78 I 4.1207 8.4235 128.6284 60.8523 37.4826 175.9297 79 T 4.4741 8.2821 114.6665 61.0785 70.3342 174.9620 80 R 4.1306 7.7349 119.8841 56.4992 30.1251 176.3762 81 T 4.5465 8.8444 111.5006 60.8525 71.4458 176.0868 82 K 3.7825 8.3902 120.1395 59.5220 31.9440 179.4691 83 E 3.9956 8.0569 118.3515 59.5839 29.4836 179.1306 84 E 4.1176 8.2722 118.3976 59.1539 29.3856 179.2609 85 A 3.9417 8.2093 121.0915 55.1166 18.3944 179.4715 86 L 3.8684 8.0853 119.1202 57.8985 42.1481 178.9136 87 E 3.8773 8.0668 117.7690 59.4711 29.3624 179.2530 88 L 3.4758 7.8463 120.3317 57.0965 41.5968 179.4467 89 I 3.7357 7.7223 119.7825 64.6736 37.0701 178.2516 90 N 4.4126 8.3917 117.4713 56.1941 38.2649 177.7705 91 G 3.4242 7.7212 107.1345 47.8830 0.0000 175.4674 92 Y 4.3764 7.7388 119.3639 60.9059 37.7967 178.5588 93 I 3.7843 8.0781 120.9270 64.3837 37.2414 178.1918 94 Q 3.9707 8.2352 120.3477 59.1957 28.6286 178.3465 95 K 4.0126 8.2926 120.6527 59.5090 32.3284 178.9062 96 I 4.4491 8.0017 121.5505 64.0399 36.9113 178.6667 97 K 4.1774 8.3009 118.3228 59.0440 31.8868 179.1818 98 S 4.3711 7.9711 114.0682 59.4393 63.2362 175.4237 99 G 4.0090 7.8911 109.6892 45.0177 0.0000 173.9557 100 E 4.1431 7.9269 120.3039 58.3322 30.2335 176.7230 101 E 4.7895 8.0129 115.8641 53.6859 33.8446 174.3216 102 D 5.1390 8.3247 121.6317 51.7934 42.7730 177.2894 103 F 3.8565 8.7785 122.5733 61.7934 39.3554 177.2363 104 E 4.2555 8.4576 117.6757 59.5876 29.4259 179.4814 105 S 4.0812 8.2201 113.7751 61.4065 63.0885 176.5242 106 L 3.8598 7.7830 122.1870 57.2882 41.3147 179.3684 107 A 3.8045 8.0338 121.0779 55.2299 18.4476 179.8155 108 S 4.2122 8.1317 113.6760 61.6460 62.5986 176.8199 109 Q 3.9577 7.5118 119.2473 57.3122 28.8535 176.7236 110 F 4.8987 7.7331 115.1999 56.9483 40.4839 175.6329 111 S 4.4291 8.0166 116.8872 58.2971 62.5064 173.5034 112 D 4.3471 9.1514 126.8979 54.9204 41.0205 175.7906 113 C 4.7173 7.7761 120.7379 57.7508 33.1676 174.4383 114 S 4.1829 8.7801 120.9647 61.3335 62.3462 176.4225 115 S 4.2539 8.2027 116.6947 60.1702 62.6038 175.6698 116 A 3.9823 8.1994 125.7891 55.2322 17.8027 179.5866 117 K 3.7311 7.8313 116.2605 58.9364 32.7675 178.0305 118 A 4.6600 7.6536 121.2458 51.4900 20.2916 176.5554 119 R 4.0184 8.3584 116.4055 57.7524 28.5524 178.1388 120 G 4.0943 8.5368 106.7746 45.2079 0.0000 173.9486 121 D 4.8036 7.8381 119.4014 54.0005 41.4909 175.7921 122 L 4.4213 8.8176 125.3888 53.8990 43.1678 177.4153 123 G 3.8685 8.4772 107.8162 44.3492 0.0000 172.2846 124 A 4.8540 8.2420 119.8965 51.8162 19.6891 176.8794 125 F 4.9997 8.6805 114.1355 56.3257 41.7010 173.0548 126 S 5.3377 8.7194 115.1039 56.4028 66.6170 173.8651 127 R 4.2368 8.1832 119.5776 57.7417 30.1177 177.5927 128 G 4.0287 9.7362 109.8310 45.4396 0.0000 174.4776 129 Q 4.1972 7.5746 119.5926 57.9060 29.6964 175.6256 130 M 4.3951 7.5860 114.8675 53.3359 34.1652 176.2811 131 Q 4.0682 8.3586 119.2603 56.1216 30.5047 177.5483 132 K 3.9621 8.7890 125.6505 59.7282 32.3099 177.0029 133 P 4.4293 0.0000 0.0000 65.3098 31.1878 178.4990 134 F 3.9498 8.2212 119.2054 61.1520 39.3757 176.6301 135 E 4.3375 8.6551 119.0152 59.5387 29.2968 178.2964 136 D 4.4276 8.4455 117.7455 57.4425 41.2560 178.4887 137 A 4.0437 7.9773 120.9054 55.3283 18.2248 179.6868 138 S 3.8560 8.0744 113.8238 61.8406 62.7544 176.7278 139 F 4.0956 8.4123 117.5223 58.7099 38.9385 176.5838 140 A 4.4307 7.5911 119.1423 51.2779 19.6031 176.9071 141 L 4.3330 6.8863 117.8162 53.6873 43.0134 176.9092 142 R 4.4418 8.8740 121.6723 54.6679 31.6738 176.2454 143 T 3.9167 8.1788 116.3501 65.6082 68.5809 174.9822 144 G 3.9586 9.1731 115.9603 45.0691 0.0000 173.5204 145 E 4.3250 8.0793 119.4846 56.3541 30.8903 175.4452 146 M 5.1495 8.4242 121.6211 53.7993 35.0386 175.5772 147 S 4.3694 8.9791 121.2425 57.9475 64.9901 173.0956 148 G 4.7008 8.0934 109.0328 43.4896 0.0000 171.0854 149 P 4.4626 0.0000 0.0000 62.6044 32.1481 176.1915 150 V 4.4010 8.7188 125.8308 61.1572 33.5918 174.2760 151 F 5.2418 9.1808 127.4061 56.7873 39.8487 175.2540 152 T 4.8794 8.9630 113.4077 59.8485 72.1977 174.2684 153 D 4.5506 9.1240 120.1589 57.4977 40.9617 179.4695 154 S 4.2164 8.0618 114.7955 59.2929 63.8710 175.3971 155 G 3.8980 6.3334 107.6166 45.9730 0.0000 170.9159 156 I 4.7241 7.8578 123.8535 59.7404 39.9519 174.7936 157 H 5.6194 9.4415 123.2152 54.0831 32.8467 172.6398 158 I 4.8449 8.8109 121.3634 59.7053 40.0246 174.6362 159 I 4.9904 8.8647 127.7880 59.3148 40.2612 174.2637 160 L 4.7664 8.6871 128.6826 53.0267 44.6823 175.0686 161 R 4.5536 8.7268 128.3524 56.1008 30.3358 176.5383 162 T 4.5022 8.6653 117.5077 62.6045 70.6079 174.9368 163 E 4.1513 7.6559 126.2729 56.5814 30.7092 174.6964 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 K 8.31 4.15 0.00 1.75 1.81 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.41 7.81 7 L 8.50 3.81 0.00 1.99 2.04 1.21 0.63 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 8 P 0.00 4.54 0.00 2.54 2.10 0.00 3.53 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 9 P 0.00 4.34 0.00 2.07 2.07 0.00 3.82 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 2.09 2.17 0.00 10 G 9.08 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 11 W 7.93 5.12 0.00 3.39 3.13 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 0.00 0.00 0.00 0.00 12 E 9.51 4.92 0.00 2.19 1.94 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 2.27 2.35 0.00 13 K 8.76 4.15 0.00 1.75 1.60 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.02 0.62 7.81 14 R 8.77 4.60 0.00 0.67 1.31 0.00 3.19 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.46 0.00 15 M 7.99 5.28 0.00 1.93 1.83 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.65 0.00 16 S 9.27 4.55 0.00 3.94 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 17 R 8.61 3.94 0.00 1.80 1.87 0.00 3.33 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 18 S 8.97 3.80 0.00 4.00 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 19 S 7.88 4.66 0.00 3.97 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 20 G 8.47 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 21 R 8.18 4.31 0.00 2.10 2.43 0.00 3.22 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.76 0.00 22 V 8.66 4.81 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 0.75 0.00 0.00 1.00 0.00 0.00 23 Y 8.60 4.99 0.00 2.99 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 24 Y 9.50 5.14 0.00 3.01 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 25 F 9.63 5.53 0.00 3.16 2.79 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 26 N 7.52 4.46 0.00 1.44 1.53 0.00 0.00 7.11 8.19 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 27 H 8.94 4.14 0.00 2.99 3.37 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.97 4.01 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.41 0.89 0.00 0.00 29 T 7.53 4.09 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 30 N 7.94 3.97 0.00 3.03 3.07 0.00 0.00 6.76 7.39 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 31 A 7.06 4.52 1.14 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 0.00 0.00 32 S 8.58 5.65 0.00 3.67 3.58 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 33 Q 9.31 4.53 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 34 W 8.79 4.72 0.00 3.42 3.37 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 35 E 8.19 4.25 0.00 1.93 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 2.34 2.42 0.00 36 R 8.23 2.51 0.00 1.51 1.48 0.00 3.11 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.85 0.00 37 P 0.00 3.98 0.00 0.76 0.49 0.00 2.74 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.82 0.00 38 S 6.87 4.30 0.00 3.88 3.69 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 39 G 7.89 3.45 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 0.00 0.00 0.00 *45 G 7.73 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 46 K 8.39 4.57 0.00 1.71 1.69 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.34 1.40 7.81 47 N 8.32 4.90 0.00 2.81 2.72 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 48 G 8.96 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 0.00 0.00 0.00 49 Q 8.18 3.98 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.02 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 50 G 8.03 3.78 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 0.00 0.00 0.00 51 E 8.43 4.83 0.00 2.32 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 2.17 2.31 0.00 52 P 0.00 4.43 0.00 2.39 2.09 0.00 4.01 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.90 0.00 53 A 8.48 4.31 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 54 R 7.65 5.06 0.00 1.81 1.74 0.00 3.21 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.73 0.00 55 V 8.19 4.46 1.53 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 -0.04 0.00 0.00 -0.46 0.00 0.00 56 R 8.61 4.89 0.00 1.73 1.64 0.00 3.19 0.00 0.00 3.24 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 57 C 8.83 5.41 0.00 3.20 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 58 S 8.98 5.53 0.00 3.55 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 9.35 5.52 0.00 3.64 3.57 0.00 5.50 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.34 4.59 0.00 1.26 1.41 0.42 0.79 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 61 L 8.58 4.97 0.00 1.76 1.44 0.72 0.46 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 62 V 8.64 4.75 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 0.98 0.00 0.00 1.10 0.00 0.00 63 K 9.01 4.61 0.00 1.62 1.66 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.64 1.32 7.81 64 H 8.74 5.01 0.00 3.36 3.46 0.00 5.48 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 9.04 4.19 0.00 3.96 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 66 Q 8.18 4.41 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 67 S 7.92 4.41 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 68 R 8.29 3.98 0.00 1.95 2.10 0.00 3.01 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.59 0.00 69 R 7.52 4.40 0.00 1.73 1.83 0.00 3.23 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 70 P 0.00 4.61 0.00 2.25 2.19 0.00 3.77 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 2.06 1.94 0.00 71 S 7.27 4.84 0.00 3.90 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.50 4.58 0.00 4.05 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 73 W 8.65 4.36 0.00 3.55 3.26 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 74 R 6.86 3.53 0.00 1.46 1.53 0.00 2.79 0.00 0.00 3.01 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.44 4.45 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.76 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 76 E 9.10 3.83 0.00 1.95 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 0.00 2.29 2.31 0.00 77 K 7.63 4.60 0.00 1.65 1.61 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.48 7.81 78 I 8.42 4.12 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.89 0.89 0.00 0.00 79 T 8.28 4.47 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 1.24 0.00 0.00 80 R 7.73 4.13 0.00 2.00 2.09 0.00 3.17 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 81 T 8.84 4.55 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 1.26 0.00 0.00 82 K 8.39 3.78 0.00 1.75 1.89 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.32 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.97 1.26 7.81 83 E 8.06 4.00 0.00 2.04 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 2.39 2.46 0.00 84 E 8.27 4.12 0.00 2.12 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 2.30 2.30 0.00 85 A 8.21 3.94 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 86 L 8.09 3.87 0.00 2.00 1.91 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.07 3.88 0.00 2.19 2.37 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 2.22 2.25 0.00 88 L 7.85 3.48 0.00 1.70 1.30 0.84 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.72 3.74 1.94 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 1.64 0.78 0.90 0.00 0.00 90 N 8.39 4.41 0.00 2.81 2.83 0.00 0.00 6.97 8.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 7.72 3.42 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 0.00 0.00 0.00 92 Y 7.74 4.38 0.00 3.12 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 93 I 8.08 3.78 2.06 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 1.50 0.96 0.96 0.00 0.00 94 Q 8.24 3.97 0.00 2.10 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 95 K 8.29 4.01 0.00 2.02 2.04 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.24 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.55 7.81 96 I 8.00 4.45 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.28 1.06 0.00 0.00 97 K 8.30 4.18 0.00 1.83 1.95 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.66 7.81 98 S 7.97 4.37 0.00 4.09 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 0.00 99 G 7.89 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 0.00 0.00 0.00 100 E 7.93 4.14 0.00 2.02 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 2.36 2.31 0.00 101 E 8.01 4.79 0.00 2.09 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 2.27 2.45 0.00 102 D 8.32 5.14 0.00 2.93 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.78 3.86 0.00 3.15 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 0.00 104 E 8.46 4.26 0.00 2.32 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 0.00 2.46 2.55 0.00 105 S 8.22 4.08 0.00 4.04 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 0.00 106 L 7.78 3.86 0.00 1.63 1.47 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.03 3.80 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.13 4.21 0.00 3.93 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 0.00 109 Q 7.51 3.96 0.00 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.08 2.28 0.00 110 F 7.73 4.90 0.00 2.55 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 0.00 111 S 8.02 4.43 0.00 3.85 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 0.00 112 D 9.15 4.35 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 C 7.78 4.72 0.00 3.00 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 0.00 114 S 8.78 4.18 0.00 4.07 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 0.00 115 S 8.20 4.25 0.00 4.28 4.22 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 0.00 116 A 8.20 3.98 1.42 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 0.00 0.00 117 K 7.83 3.73 0.00 1.76 1.68 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.37 7.81 118 A 7.65 4.66 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 0.00 119 R 8.36 4.02 0.00 2.00 2.18 0.00 3.13 0.00 0.00 3.09 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 120 G 8.54 4.09 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 0.00 0.00 0.00 121 D 7.84 4.80 0.00 2.73 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 0.00 122 L 8.82 4.42 0.00 1.97 1.67 0.86 0.72 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 0.00 123 G 8.48 3.87 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 0.00 0.00 0.00 124 A 8.24 4.85 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.68 5.00 0.00 3.13 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.72 5.34 0.00 3.87 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 8.18 4.24 0.00 1.59 1.70 0.00 2.87 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.61 0.00 128 G 9.74 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 0.00 0.00 0.00 0.00 129 Q 7.57 4.20 0.00 1.89 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 130 M 7.59 4.40 0.00 1.79 2.12 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.01 0.00 131 Q 8.36 4.07 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 132 K 8.79 3.96 0.00 1.89 1.89 0.00 1.65 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.68 7.81 133 P 0.00 4.43 0.00 2.40 2.18 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 134 F 8.22 3.95 0.00 3.01 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 0.00 135 E 8.66 4.34 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 136 D 8.45 4.43 0.00 2.82 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 0.00 137 A 7.98 4.04 1.29 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 0.00 0.00 0.00 138 S 8.07 3.86 0.00 4.04 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 F 8.41 4.10 0.00 3.10 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 0.00 140 A 7.59 4.43 1.29 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 0.00 0.00 0.00 141 L 6.89 4.33 0.00 1.64 1.52 0.84 0.78 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 0.00 142 R 8.87 4.44 0.00 2.02 1.84 0.00 3.16 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 143 T 8.18 3.92 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 144 G 9.17 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 0.00 0.00 0.00 145 E 8.08 4.32 0.00 2.08 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 0.00 2.38 2.28 0.00 146 M 8.42 5.15 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 147 S 8.98 4.37 0.00 4.00 3.78 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 0.00 148 G 8.09 4.70 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 0.00 0.00 0.00 149 P 0.00 4.46 0.00 2.04 1.90 0.00 3.75 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 2.11 2.10 0.00 150 V 8.72 4.40 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 1.00 0.00 0.00 0.94 0.00 0.00 151 F 9.18 5.24 0.00 2.98 3.07 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 0.00 152 T 8.96 4.88 4.52 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 1.37 0.00 0.00 153 D 9.12 4.55 0.00 3.01 2.79 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 0.00 154 S 8.06 4.22 0.00 3.93 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 G 6.33 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 0.00 0.00 0.00 156 I 7.86 4.72 1.69 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 0.67 0.77 0.33 0.00 0.00 157 H 9.44 5.62 0.00 3.17 3.43 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.81 4.84 2.07 0.00 0.00 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 1.33 0.93 1.19 0.00 0.00 159 I 8.86 4.99 1.70 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.70 0.67 0.00 0.00 160 L 8.69 4.77 0.00 0.49 0.54 0.77 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.73 4.55 0.00 1.78 1.82 0.00 2.94 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 162 T 8.67 4.50 4.19 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 1.12 0.00 0.00 163 E 7.66 4.15 0.00 1.90 1.72 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 2.25 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.