NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0473 7.9133 120.3944 63.0905 33.5442 177.4365 3 D 4.6783 7.9713 118.2529 55.9436 40.9943 176.6881 4 D 4.4545 8.2442 118.5931 56.8870 41.8987 177.2227 5 I 3.6113 7.1729 118.5859 62.9485 38.1010 175.8681 6 F 4.8680 7.3563 118.1681 55.9011 40.2649 175.5921 7 E 4.0282 9.0056 124.8963 59.2417 29.5048 178.0745 8 R 4.2483 7.5180 113.3083 54.7949 31.4674 174.2884 9 G 3.7822 8.0935 102.8053 43.7302 0.0000 172.9763 10 S 3.7017 8.3569 113.4557 56.8073 64.6216 173.8938 11 K 4.2118 8.4210 124.5464 56.0059 32.7036 176.6586 12 G 3.3225 8.2276 115.6360 46.2187 0.0000 173.4099 13 S 4.3391 8.9773 119.8283 57.7826 63.1055 175.0560 14 S 4.5565 8.3133 120.4281 60.0771 62.9651 175.1313 15 D 4.0417 7.5924 121.0951 56.4733 40.5194 176.9651 16 F 3.9583 7.3293 115.0926 56.3154 41.6571 175.3214 17 F 5.3189 7.5555 116.2819 55.8031 43.3997 173.7025 18 T 4.3392 9.2945 118.8888 63.2306 70.4557 176.1993 19 G 3.9721 8.5883 115.0569 44.6658 0.0000 171.0667 20 N 4.3712 8.2502 116.5298 51.8376 40.1432 174.7169 21 V 4.2646 7.0609 122.7307 60.4979 35.5963 173.7121 22 W 5.0853 8.4440 126.1635 54.7453 32.5663 174.3978 23 V 4.6331 8.6509 124.3965 61.2547 33.6817 174.1370 24 K 5.1182 8.8829 129.3441 55.6259 35.2299 176.5807 *26 L 4.1840 8.6368 119.7025 55.0698 43.5987 177.1492 27 V 4.3008 8.0293 119.0811 61.2362 33.2582 175.7070 28 T 4.0577 8.7173 117.8666 61.7616 70.0145 174.0587 29 D 4.4984 8.3508 123.1130 55.1423 39.6138 175.4160 30 E 4.0207 8.6008 115.1333 58.8918 30.1059 179.8169 31 N 4.7687 8.3414 114.0937 52.1803 38.8518 175.6046 32 G 4.4179 8.5261 105.7959 45.4641 0.0000 175.5148 33 V 3.5007 7.4355 119.6993 64.6043 31.4518 176.8182 34 F 4.6801 8.6122 116.1039 56.0492 41.0973 174.7902 35 N 4.3338 8.5195 117.5821 54.0761 37.3167 172.7742 36 T 5.3020 8.0997 109.8844 61.9492 72.7365 173.2680 37 Q 5.0156 9.1187 124.1154 54.1978 32.6279 174.7516 38 V 4.6739 8.8509 121.2997 61.3830 35.2528 173.8608 39 Y 5.3796 8.0204 124.2236 55.6709 42.3151 172.9544 40 D 5.3660 9.5341 119.8989 52.4966 44.3741 174.6199 41 V 4.8372 9.0032 125.5316 61.0144 35.0834 173.9972 42 V 4.9538 8.6757 127.4598 61.2320 34.1149 173.9400 43 F 4.8967 9.4243 127.3521 55.7194 40.8906 175.7047 44 E 4.6377 8.8889 123.6480 55.1071 30.9641 174.8405 45 P 4.6859 0.0000 0.0000 64.8288 31.6961 177.1906 46 G 4.0084 9.2256 111.3975 44.4084 0.0000 173.4334 47 A 4.6980 7.9808 122.1084 51.7109 20.4588 176.5430 48 R 5.0370 8.6953 115.1522 55.4369 33.1558 174.4409 49 T 4.7050 9.0134 111.0778 61.8768 69.7372 173.7800 50 H 4.5837 8.9080 120.6803 55.2905 29.9839 175.4255 51 W 4.8189 9.1006 120.4763 57.8945 30.0638 175.4246 52 H 5.1028 9.0432 118.3232 55.2832 31.8847 172.2956 53 S 5.0294 8.5702 112.1878 57.1375 66.9852 172.4857 54 H 4.9658 8.5551 117.2432 53.3993 30.8176 173.3822 55 P 4.8746 0.0000 0.0000 64.6242 31.3297 177.3922 56 G 4.0186 7.5961 103.5334 44.4706 0.0000 173.9658 57 G 3.9789 9.5652 105.9678 45.2593 0.0000 171.5730 58 Q 4.8482 8.5092 117.6001 54.8682 33.0963 172.9615 59 I 4.9485 8.7769 125.4454 59.4682 40.5667 174.3511 60 L 5.0996 8.6715 126.7514 52.9757 44.6347 175.7318 61 I 4.7734 8.6590 123.3492 59.4361 40.6025 174.7290 62 V 4.3964 8.6984 129.0772 62.8020 31.8990 176.3972 63 T 4.6662 8.7003 117.8818 62.3078 70.6952 174.5580 64 R 4.3382 8.0935 120.3084 56.7292 33.2849 175.1450 65 G 4.1948 9.7060 110.8056 44.3842 0.0000 171.5606 66 K 4.7461 8.8090 120.9862 55.2813 36.1370 177.0853 67 G 4.4452 8.7579 113.1062 45.6588 0.0000 170.9368 68 F 5.2549 9.2274 117.2050 55.8401 43.7724 173.4837 69 Y 4.8846 8.9172 123.0758 55.7512 42.0324 174.0427 70 Q 4.1941 7.3434 126.4606 54.3308 32.8645 173.4669 71 E 4.8359 8.3365 125.4186 54.9323 31.6728 175.8356 72 R 3.8019 8.6678 123.4331 58.3796 30.2518 176.9361 73 G 3.9573 9.0737 112.4674 45.5094 0.0000 172.7202 74 K 4.7261 7.7865 117.7572 53.2605 35.2951 174.3928 75 P 4.3609 0.0000 0.0000 62.3841 31.8709 176.5632 76 A 4.2699 8.4646 123.7596 52.1843 19.3977 176.4930 77 R 4.5736 9.2006 121.3917 54.6273 32.3774 175.3001 78 I 3.8852 8.2533 127.0607 60.7052 38.2746 175.0362 79 L 4.8976 8.6427 126.5058 53.0149 44.5733 175.7339 80 K 5.2440 9.1066 121.1718 52.6675 37.3350 175.5246 81 K 4.0098 8.6475 121.6031 58.7804 32.0826 176.4777 82 G 4.0184 9.1445 115.2739 45.1563 0.0000 173.5101 83 D 4.5484 7.9146 120.0862 54.1985 42.1694 175.5512 84 V 4.6800 8.1884 121.3078 61.0671 34.2078 174.5328 85 V 4.0480 8.5592 128.2836 61.1107 33.4962 174.1085 86 E 4.4898 8.5986 128.2003 55.3531 30.5386 176.0240 87 I 4.2830 8.5738 127.7185 58.8563 38.8310 174.1258 88 P 4.7425 0.0000 0.0000 61.1715 32.8871 174.4873 89 P 4.5267 0.0000 0.0000 64.8125 31.7440 176.7271 90 N 4.3315 9.4106 118.9093 53.3722 37.1412 173.9477 91 V 4.0618 7.5400 119.5313 62.7328 32.2676 175.6386 92 V 4.3816 8.5292 128.5567 62.9532 32.9066 174.3259 93 H 5.7052 9.2323 122.5110 54.7068 32.5461 172.0222 94 W 5.6392 8.5260 115.4423 55.0961 31.8795 173.5912 95 H 5.1589 9.3468 115.3381 54.0193 32.3160 172.7656 96 G 3.6350 7.9456 103.5039 46.3188 0.0000 172.0748 97 A 5.0820 8.7639 122.2053 50.9346 19.7923 177.9713 98 A 4.6886 8.8688 122.2238 51.5272 19.0872 177.5286 99 P 4.5815 0.0000 0.0000 65.1389 31.5089 177.3933 100 D 4.9890 7.9715 115.0627 52.2265 40.2432 174.3204 101 E 4.9249 7.8833 118.6725 55.4398 33.0856 174.2895 102 E 4.5290 8.9328 123.7138 56.3005 31.8034 174.9181 103 L 5.2595 9.0388 122.2444 53.3487 45.4449 175.1695 104 V 5.2590 8.8602 125.6688 61.4808 34.5539 173.8471 105 H 5.3765 9.0857 121.6967 54.3909 32.4686 172.4118 106 I 4.5431 8.9138 121.5092 60.8330 38.6102 175.1465 107 G 4.2513 9.0341 113.4223 44.2690 0.0000 171.9401 108 I 4.6282 8.5635 124.4585 59.2659 40.3778 175.0022 109 S 4.8542 9.0785 125.4069 57.8297 63.8019 174.0497 110 T 4.5847 8.4527 116.0573 60.4301 71.1432 174.5280 111 Q 3.7008 8.4947 119.2134 56.8758 26.5173 175.7647 112 V 3.6519 7.9631 118.6821 66.2797 32.1476 177.2489 113 H 4.1777 8.7748 118.8849 58.5652 29.7134 176.0063 114 L 4.1005 7.8545 118.1568 55.9069 41.6340 176.0786 115 G 4.2993 7.2784 104.2254 42.0435 0.0000 171.4879 116 P 4.5398 0.0000 0.0000 61.3791 32.4063 175.8249 117 A 3.9382 8.2796 120.5103 52.3092 19.1931 176.5158 118 E 4.4842 9.0993 122.3961 54.3984 31.5143 174.6283 119 W 5.0957 8.8918 127.2293 55.3985 30.3854 175.9647 120 L 5.0132 9.0761 126.6166 54.4749 44.4112 176.5381 121 G 4.0139 8.8233 111.1537 46.6701 0.0000 173.3232 122 S 4.3795 8.4145 116.1890 58.3185 63.8155 174.5749 123 V 3.9276 7.8756 122.4915 62.1004 31.6154 176.8368 124 T 4.1546 8.5163 118.2942 61.3428 70.8430 175.2581 125 E 4.0742 8.7241 123.4814 60.0978 29.3461 180.2176 126 E 3.9851 8.0814 117.9315 61.1226 29.8756 181.3319 127 E 4.2195 8.2093 120.0236 59.4072 29.4309 179.0321 128 Y 3.7819 8.2831 119.7797 60.5065 38.7935 177.6465 129 R 3.7493 8.4824 119.9569 59.5735 29.9682 178.6316 130 K 3.8118 8.1094 116.7764 59.3793 32.0790 178.9563 131 A 4.1495 8.1280 120.7127 54.4089 18.5732 178.2231 132 T 3.5622 7.4570 108.6456 62.4207 70.7643 175.1935 133 E 4.0454 8.3442 119.0467 57.2344 29.8773 180.8465 134 G 3.9933 8.8744 111.0284 44.9379 0.0000 173.6423 135 K 4.2434 8.0178 124.4078 56.3448 32.2594 176.2336 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 V 7.91 4.05 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 1.01 0.00 0.00 0.95 0.00 0.00 3 D 7.97 4.68 0.00 2.94 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 4 D 8.24 4.45 0.00 2.63 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 5 I 7.17 3.61 1.57 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.34 -0.16 0.00 0.00 6 F 7.36 4.87 0.00 3.26 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 9.01 4.03 0.00 1.86 1.86 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 2.17 2.26 0.00 8 R 7.52 4.25 0.00 1.09 1.45 0.00 2.59 0.00 0.00 2.88 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.18 0.00 9 G 8.09 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 10 S 8.36 3.70 0.00 3.63 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 11 K 8.42 4.21 0.00 1.88 1.65 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.30 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.07 0.75 7.81 12 G 8.23 3.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.98 4.34 0.00 3.86 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 14 S 8.31 4.56 0.00 3.92 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 15 D 7.59 4.04 0.00 1.58 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 7.33 3.96 0.00 1.52 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 17 F 7.56 5.32 0.00 2.77 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 18 T 9.29 4.34 4.13 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 1.05 0.00 0.00 19 G 8.59 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 20 N 8.25 4.37 0.00 2.50 2.34 0.00 0.00 6.23 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 21 V 7.06 4.26 0.96 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 -0.27 0.00 0.00 0.58 0.00 0.00 22 W 8.44 5.09 0.00 3.17 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 23 V 8.65 4.63 2.00 0.00 0.00 0.00 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 0.66 0.00 0.00 24 K 8.88 5.12 0.00 1.84 1.73 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.25 7.81 *26 L 8.64 4.18 0.00 1.76 1.75 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.03 4.30 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.76 0.00 0.00 28 T 8.72 4.06 4.30 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 1.27 0.00 0.00 29 D 8.35 4.50 0.00 3.21 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 30 E 8.60 4.02 0.00 2.02 1.88 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 2.24 1.93 0.00 31 N 8.34 4.77 0.00 2.77 2.85 0.00 0.00 7.04 8.03 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 32 G 8.53 4.42 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 33 V 7.44 3.50 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 -0.25 0.00 0.00 0.83 0.00 0.00 34 F 8.61 4.68 0.00 3.16 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 35 N 8.52 4.33 0.00 2.96 2.86 0.00 0.00 7.00 7.22 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 36 T 8.10 5.30 4.32 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 0.00 0.00 0.00 1.26 0.00 0.00 37 Q 9.12 5.02 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 38 V 8.85 4.67 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 0.97 0.00 0.00 0.81 0.00 0.00 39 Y 8.02 5.38 0.00 3.08 3.06 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 40 D 9.53 5.37 0.00 2.76 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.00 4.84 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 0.32 0.00 0.00 1.12 0.00 0.00 42 V 8.68 4.95 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.01 0.00 0.00 43 F 9.42 4.90 0.00 3.09 3.01 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 44 E 8.89 4.64 0.00 2.01 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 2.55 2.59 0.00 45 P 0.00 4.69 0.00 2.11 2.20 0.00 3.77 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 2.11 2.21 0.00 46 G 9.23 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 47 A 7.98 4.70 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 48 R 8.70 5.04 0.00 2.20 2.02 0.00 2.21 0.00 0.00 2.88 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.05 0.00 49 T 9.01 4.71 4.53 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 1.65 0.00 0.00 50 H 8.91 4.58 0.00 3.38 3.68 0.00 5.68 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 51 W 9.10 4.82 0.00 3.45 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 9.04 5.10 0.00 2.43 2.88 0.00 5.22 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.57 5.03 0.00 3.89 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 54 H 8.56 4.97 0.00 3.08 3.23 0.00 5.63 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.87 0.00 2.12 2.14 0.00 3.83 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 56 G 7.60 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 0.00 0.00 0.00 57 G 9.57 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 0.00 0.00 0.00 0.00 58 Q 8.51 4.85 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.52 0.00 59 I 8.78 4.95 1.79 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 1.16 0.51 0.83 0.00 0.00 60 L 8.67 5.10 0.00 1.34 1.30 0.55 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.66 4.77 1.84 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 1.06 0.80 0.88 0.00 0.00 62 V 8.70 4.40 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.93 0.00 0.00 63 T 8.70 4.67 4.26 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 1.28 0.00 0.00 64 R 8.09 4.34 0.00 1.90 1.79 0.00 3.21 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 65 G 9.71 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 0.00 0.00 0.00 0.00 66 K 8.81 4.75 0.00 1.78 1.63 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 1.25 7.81 67 G 8.76 4.45 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 68 F 9.23 5.25 0.00 2.95 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 69 Y 8.92 4.88 0.00 2.82 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 70 Q 7.34 4.19 0.00 1.58 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 71 E 8.34 4.84 0.00 1.93 1.86 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 2.34 1.93 0.00 72 R 8.67 3.80 0.00 1.60 1.81 0.00 2.96 0.00 0.00 2.91 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.22 0.00 73 G 9.07 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 74 K 7.79 4.73 0.00 1.83 1.70 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.52 7.81 75 P 0.00 4.36 0.00 2.06 2.01 0.00 3.70 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 2.04 2.10 0.00 76 A 8.46 4.27 1.28 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 77 R 9.20 4.57 0.00 1.91 2.05 0.00 3.12 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 78 I 8.25 3.89 1.71 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.57 0.62 0.00 0.00 79 L 8.64 4.90 0.00 1.41 1.45 0.85 0.95 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 80 K 9.11 5.24 0.00 1.68 1.62 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.73 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.07 7.81 81 K 8.65 4.01 0.00 1.71 1.75 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.58 7.81 82 G 9.14 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 0.00 0.00 0.00 83 D 7.91 4.55 0.00 2.66 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.19 4.68 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 0.70 0.00 0.00 0.93 0.00 0.00 85 V 8.56 4.05 1.66 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 -0.06 0.00 0.00 0.62 0.00 0.00 86 E 8.60 4.49 0.00 1.81 1.83 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 2.19 2.25 0.00 87 I 8.57 4.28 1.87 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.43 0.83 0.00 0.00 88 P 0.00 4.74 0.00 2.09 1.97 0.00 3.67 0.00 0.00 3.99 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 89 P 0.00 4.53 0.00 2.05 2.29 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 90 N 9.41 4.33 0.00 2.92 2.97 0.00 0.00 6.29 7.52 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 91 V 7.54 4.06 2.26 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 0.78 0.00 0.00 1.02 0.00 0.00 92 V 8.53 4.38 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 1.15 0.00 0.00 0.99 0.00 0.00 93 H 9.23 5.71 0.00 3.10 3.39 0.00 5.26 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 W 8.53 5.64 0.00 3.31 2.57 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 95 H 9.35 5.16 0.00 3.29 3.50 0.00 5.56 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.95 3.63 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 0.00 0.00 0.00 97 A 8.76 5.08 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.87 4.69 1.49 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 0.00 0.00 0.00 99 P 0.00 4.58 0.00 2.14 2.28 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 100 D 7.97 4.99 0.00 2.76 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 0.00 101 E 7.88 4.92 0.00 2.10 1.85 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 2.35 2.35 0.00 102 E 8.93 4.53 0.00 2.36 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 0.00 2.44 2.41 0.00 103 L 9.04 5.26 0.00 2.06 1.71 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.86 5.26 2.15 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 1.12 0.00 0.00 1.02 0.00 0.00 105 H 9.09 5.38 0.00 3.38 3.44 0.00 5.50 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.91 4.54 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.71 0.80 0.00 0.00 107 G 9.03 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 0.00 108 I 8.56 4.63 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.68 0.84 0.00 0.00 109 S 9.08 4.85 0.00 3.94 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 0.00 110 T 8.45 4.58 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 0.00 111 Q 8.49 3.70 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 112 V 7.96 3.65 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 1.06 0.00 0.00 1.09 0.00 0.00 113 H 8.77 4.18 0.00 3.28 3.34 0.00 5.81 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 0.00 114 L 7.85 4.10 0.00 1.83 1.74 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 115 G 7.28 4.30 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 0.00 116 P 0.00 4.54 0.00 2.23 2.11 0.00 3.79 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 2.01 1.99 0.00 117 A 8.28 3.94 0.65 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 0.00 0.00 118 E 9.10 4.48 0.00 1.96 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 119 W 8.89 5.10 0.00 3.37 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 0.00 120 L 9.08 5.01 0.00 1.77 1.55 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.82 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 0.00 122 S 8.41 4.38 0.00 3.67 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 0.00 123 V 7.88 3.93 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 -0.19 0.00 0.00 -0.53 0.00 0.00 124 T 8.52 4.15 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 1.23 0.00 0.00 125 E 8.72 4.07 0.00 1.98 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 2.35 2.29 0.00 126 E 8.08 3.99 0.00 1.97 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 2.31 1.97 0.00 127 E 8.21 4.22 0.00 2.26 2.17 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 2.50 2.42 0.00 128 Y 8.28 3.78 0.00 2.63 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 0.00 129 R 8.48 3.75 0.00 1.97 1.93 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 130 K 8.11 3.81 0.00 1.84 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.57 7.81 131 A 8.13 4.15 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 0.00 0.00 132 T 7.46 3.56 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 -0.45 0.00 0.00 133 E 8.34 4.05 0.00 1.97 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 2.26 2.14 0.00 134 G 8.87 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 0.00 135 K 8.02 4.24 0.00 2.17 1.91 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.31 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.