NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3577 0.0000 0.0000 62.3466 32.6622 175.1253 3 R 4.3612 8.5007 123.6685 54.1019 31.7354 174.4300 4 A 4.6264 7.9942 127.7117 48.9782 19.7722 175.0150 5 K 4.0318 8.0130 121.7171 56.5877 32.7439 179.0968 6 T 3.8265 8.8749 115.3752 66.3793 69.6063 176.9142 7 G 3.8464 7.1374 105.9551 44.8249 0.0000 176.4092 8 V 3.6109 8.9390 127.0099 66.2948 30.9215 177.1341 9 V 3.1047 6.9665 116.2887 65.7126 32.7130 177.3084 10 R 3.7695 7.9949 115.8223 59.9184 30.1034 178.5374 11 R 3.9211 8.1267 117.4045 59.7894 29.6476 178.2165 12 R 3.8833 7.6621 116.3809 59.4889 29.9406 179.0144 13 K 4.0529 7.8959 117.3759 59.3564 31.9813 179.0698 14 H 4.4426 8.0194 116.8472 58.3442 28.6822 178.3143 15 K 4.4772 8.2188 117.5520 57.3307 32.5927 177.3620 16 K 4.3807 8.2626 122.8143 58.2369 34.3679 177.9854 17 I 3.9168 7.3527 118.8287 64.0257 37.1254 177.9028 18 L 3.9696 7.9740 119.0769 58.1172 41.2006 179.6261 19 K 3.8491 8.0746 117.5081 59.5436 31.9078 178.4809 20 L 4.1700 7.7450 115.9061 56.2519 41.6227 176.6999 21 A 4.3378 8.1891 120.5789 52.4774 21.0773 176.9943 22 K 3.7163 7.1569 114.9647 58.2057 32.4049 176.8515 23 G 3.9499 8.7863 109.7469 45.7973 0.0000 173.6109 24 Y 4.8486 7.0368 116.5490 56.6981 38.2361 176.7154 25 W 4.5636 8.7612 129.4699 56.9857 31.3339 175.0132 26 G 3.4961 7.4802 101.1299 50.3444 0.0000 174.4738 27 L 4.2204 8.6336 123.8177 56.5277 42.8491 178.9881 28 R 4.3150 7.4680 113.0811 57.0517 29.5458 177.3166 29 S 4.7701 7.8465 107.9883 58.2268 66.2954 174.5797 30 K 4.2436 8.0046 119.3653 58.0345 33.7050 176.5037 31 S 4.2881 8.5428 118.4715 58.4377 62.3058 175.4594 *32 F 3.9216 8.3255 127.4515 58.9753 38.3317 172.7527 33 R 4.4910 7.9132 114.6816 57.6217 30.3737 177.9060 34 K 3.5273 8.1323 117.2185 58.3097 32.4951 178.1449 35 A 4.4110 7.8226 121.2030 54.1477 19.4985 179.7565 36 R 3.5878 8.7589 117.0073 59.5634 30.0886 178.4947 37 E 4.1340 8.0171 117.8100 59.7652 29.2328 179.4211 38 T 3.7900 7.2149 116.3198 66.4390 68.4030 176.6228 39 L 4.0493 7.9062 120.9673 58.4193 41.4739 179.5883 40 F 4.1233 7.9878 115.7979 60.5719 39.1119 177.9519 41 A 3.7127 8.2514 119.3245 55.4361 18.3396 179.4899 42 A 4.2173 7.9585 118.7983 55.1530 18.5614 180.0170 43 G 3.9250 8.3057 103.6764 47.3568 0.0000 174.3044 44 N 4.5978 8.1693 118.7133 56.8855 39.5707 175.5980 45 Y 4.2688 8.4265 117.2032 60.9684 37.7540 179.2807 46 A 4.0362 7.7919 120.7348 55.7211 19.5207 178.2855 47 Y 4.0951 7.7580 117.3333 61.6326 38.6284 178.5179 48 A 3.9420 8.4072 121.1798 55.1622 18.4187 179.2194 49 H 4.3257 7.5770 114.2566 58.6805 28.6716 177.5196 50 R 3.7173 8.0181 118.2074 57.6314 30.0273 177.8416 51 K 4.2579 7.5191 116.6231 57.2124 33.3168 178.0498 52 R 4.0632 7.4901 118.7160 58.3671 30.1533 178.3291 53 R 3.5229 8.5483 119.9070 60.0253 29.2697 177.6296 54 K 3.6231 8.3766 115.2272 59.5144 31.7015 178.5492 55 R 4.0729 8.1335 116.8263 60.3720 28.7133 178.3498 56 D 4.3141 8.1919 119.9049 56.5711 40.6227 178.6409 57 F 4.9223 7.4442 116.2860 58.3283 40.0178 178.0405 58 R 3.8387 8.7355 117.6428 59.6312 29.9341 178.6847 59 R 3.9577 8.3319 117.7382 59.0936 29.6786 178.5323 60 L 3.9157 7.3264 120.2814 58.5256 41.7426 179.3051 61 W 4.5209 8.2258 118.4966 60.2964 28.8764 177.6643 62 I 3.5761 9.3576 121.6638 62.8742 36.0449 179.0511 63 V 3.3886 7.0064 118.1441 66.6481 32.3115 177.7199 64 R 4.0824 8.2686 118.3632 57.2719 29.6278 179.3948 65 I 3.5712 7.4368 119.6755 64.7831 37.7077 177.0474 66 N 4.4044 8.3131 117.8065 56.9884 38.5364 175.7759 67 A 4.3464 7.6108 119.3521 52.7727 18.9149 178.5414 68 A 4.5963 7.9637 122.9711 54.3465 19.3722 179.4384 69 C 4.5215 8.7799 111.3346 59.7231 30.0658 175.6614 70 R 4.0939 8.1864 121.1646 58.9707 29.2711 177.6613 71 Q 4.5823 7.9147 116.0399 56.5991 28.4910 176.4111 72 H 4.7839 8.6218 115.6591 54.6014 30.0656 173.9150 73 G 4.3022 7.8885 114.6216 44.8830 0.0000 173.9078 74 L 3.9840 7.7022 119.6223 54.8529 41.0776 177.3587 75 N 4.6928 8.5966 120.2167 52.3806 38.4797 174.3728 76 Y 4.3271 9.6139 120.4456 61.0539 38.7350 179.3313 77 S 4.4720 8.2945 108.7115 58.9367 64.0524 173.9159 78 T 3.9488 8.7086 117.4194 64.4000 69.0930 179.4837 79 F 2.6956 8.5584 127.6828 57.8875 43.7796 176.2917 80 I 3.6772 7.9960 121.4328 65.1193 37.5985 176.8131 81 H 4.1614 8.5152 119.0568 59.3592 29.6656 176.4634 82 G 3.8540 7.9610 104.7479 45.0530 0.0000 174.9186 83 L 4.1658 8.3523 122.5066 56.9408 42.4302 178.8752 84 K 4.1046 7.8453 118.9489 58.9907 31.9673 178.6992 85 K 3.8891 7.6240 118.8225 59.3411 32.2768 178.1966 86 A 4.2270 7.2779 116.2961 52.1829 18.1826 178.6248 87 G 3.9133 8.1251 106.7105 46.1586 0.0000 175.5622 88 I 4.0657 7.7895 115.1489 60.1349 35.5556 176.1090 89 E 4.3379 7.7433 122.3035 55.9765 29.0920 177.2597 90 V 4.0803 7.6076 127.5084 63.9037 34.0991 174.0771 91 D 4.3790 9.0427 118.9226 55.4538 41.1902 175.6863 92 R 3.7045 10.3264 114.9630 57.0648 27.8904 176.3716 93 K 4.0814 7.3911 119.9050 57.0538 30.5327 177.8134 94 N 2.0000 6.4949 114.4001 56.3657 39.9706 177.2962 95 L 4.9584 8.3484 117.1877 54.7326 41.8579 177.9867 96 A 4.6209 7.9566 119.6269 52.1006 19.5602 178.6962 97 D 4.6297 7.5832 117.8322 55.0407 40.4323 178.4368 98 L 3.8441 7.3053 119.5387 57.9868 41.9569 178.1990 99 A 3.2902 6.9145 119.2013 54.8303 17.7121 178.4406 100 V 3.0042 6.8940 109.8332 66.7338 31.6935 175.8033 101 R 4.2456 7.6513 120.3488 56.1141 31.6586 176.2849 102 E 3.7145 8.7177 116.7633 56.2699 27.8273 172.9967 103 P 4.4686 0.0000 0.0000 66.3413 31.6726 178.1057 104 Q 3.9418 8.1543 117.4628 59.2949 28.2424 179.2307 105 V 3.5926 8.0296 120.3209 65.7045 31.4237 177.5445 106 F 4.3426 8.8371 120.1075 61.2526 38.9574 176.8462 107 A 4.1606 8.1888 119.9207 55.1362 18.2681 179.2315 108 E 4.0261 8.1926 117.2384 59.5653 29.4518 179.4740 109 L 3.8533 7.6826 118.5576 57.6213 41.5900 179.5260 110 V 2.8080 7.4409 118.1923 66.3671 31.1604 176.8684 111 E 3.7616 7.7404 116.3321 59.1501 29.3818 179.2495 112 R 3.8776 7.6309 116.9781 60.0520 30.7124 177.8549 113 A 4.0335 7.5280 120.7651 55.1478 17.9059 178.7616 114 K 4.0656 8.2249 114.2461 57.2441 33.3876 177.6004 115 A 4.3314 7.8038 125.0596 53.9032 20.2541 179.0634 116 A 4.4449 7.8492 116.3624 52.5500 18.5659 178.0184 117 Q 4.2371 7.1447 115.4744 55.0462 29.3678 175.8004 118 G 4.1656 7.4692 109.6190 44.7252 0.0000 172.6611 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 P 0.00 4.36 0.00 2.06 2.07 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 3 R 8.50 4.36 0.00 1.83 1.80 0.00 3.17 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 4 A 7.99 4.63 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.01 4.03 0.00 1.91 1.99 0.00 1.53 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.43 7.81 6 T 8.87 3.83 4.24 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 1.21 0.00 0.00 7 G 7.14 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 8 V 8.94 3.61 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 0.79 0.00 0.00 0.93 0.00 0.00 9 V 6.97 3.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.92 0.00 0.00 10 R 7.99 3.77 0.00 1.95 1.96 0.00 3.27 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 11 R 8.13 3.92 0.00 1.92 2.12 0.00 3.25 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 12 R 7.66 3.88 0.00 2.07 1.97 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 13 K 7.90 4.05 0.00 1.72 1.77 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.66 7.81 14 H 8.02 4.44 0.00 3.34 3.32 0.00 5.63 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.22 4.48 0.00 1.86 2.00 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.58 7.81 16 K 8.26 4.38 0.00 1.81 1.94 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.35 7.81 17 I 7.35 3.92 2.02 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 1.67 0.70 0.91 0.00 0.00 18 L 7.97 3.97 0.00 1.68 1.75 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.07 3.85 0.00 1.92 1.85 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.50 7.81 20 L 7.74 4.17 0.00 1.76 1.95 0.97 1.09 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 21 A 8.19 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.16 3.72 0.00 1.63 1.70 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.51 7.81 23 G 8.79 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 24 Y 7.04 4.85 0.00 3.09 2.85 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 25 W 8.76 4.56 0.00 3.42 3.08 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 26 G 7.48 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 4.22 0.00 1.78 1.75 0.95 0.88 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 28 R 7.47 4.31 0.00 2.04 1.97 0.00 3.23 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 29 S 7.85 4.77 0.00 4.10 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.00 4.24 0.00 1.74 1.85 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.67 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.23 7.81 31 S 8.54 4.29 0.00 3.83 3.81 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 0.00 0.00 0.00 *32 F 8.33 3.92 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.91 4.49 0.00 1.93 2.14 0.00 2.96 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 34 K 8.13 3.53 0.00 1.81 1.94 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.55 1.43 7.81 35 A 7.82 4.41 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 36 R 8.76 3.59 0.00 1.67 1.81 0.00 2.86 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.84 0.00 37 E 8.02 4.13 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 38 T 7.21 3.79 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 0.31 0.00 0.00 39 L 7.91 4.05 0.00 1.62 1.64 0.88 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.99 4.12 0.00 3.19 2.81 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 0.00 0.00 0.00 41 A 8.25 3.71 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 42 A 7.96 4.22 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 43 G 8.31 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 0.00 0.00 0.00 44 N 8.17 4.60 0.00 2.86 2.78 0.00 0.00 7.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.43 4.27 0.00 3.21 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 46 A 7.79 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.76 4.10 0.00 3.07 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 48 A 8.41 3.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 7.58 4.33 0.00 3.43 3.26 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.02 3.72 0.00 1.66 1.93 0.00 3.15 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 51 K 7.52 4.26 0.00 1.73 1.73 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.02 0.99 7.81 52 R 7.49 4.06 0.00 1.85 2.02 0.00 3.46 0.00 0.00 3.02 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 53 R 8.55 3.52 0.00 1.63 1.82 0.00 3.11 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.34 0.00 54 K 8.38 3.62 0.00 1.74 1.66 0.00 1.78 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.44 7.81 55 R 8.13 4.07 0.00 1.96 2.17 0.00 2.95 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 56 D 8.19 4.31 0.00 2.47 2.36 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 57 F 7.44 4.92 0.00 2.60 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 0.00 0.00 0.00 58 R 8.74 3.84 0.00 1.85 2.02 0.00 3.15 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 59 R 8.33 3.96 0.00 1.76 1.92 0.00 3.11 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 60 L 7.33 3.92 0.00 1.88 1.53 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.23 4.52 0.00 3.60 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 62 I 9.36 3.58 1.95 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.80 0.60 0.00 0.00 63 V 7.01 3.39 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 1.04 0.00 0.00 0.96 0.00 0.00 64 R 8.27 4.08 0.00 1.89 1.76 0.00 3.23 0.00 0.00 3.14 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 65 I 7.44 3.57 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.63 0.88 0.00 0.00 66 N 8.31 4.40 0.00 2.82 2.91 0.00 0.00 7.15 8.57 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 67 A 7.61 4.35 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 68 A 7.96 4.60 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 69 C 8.78 4.52 0.00 3.32 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 70 R 8.19 4.09 0.00 2.00 2.08 0.00 3.17 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.00 0.00 71 Q 7.91 4.58 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.64 0.00 0.00 0.00 0.00 0.00 2.44 2.67 0.00 72 H 8.62 4.78 0.00 3.27 3.27 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 7.89 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 74 L 7.70 3.98 0.00 1.77 1.72 1.06 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.60 4.69 0.00 2.93 2.95 0.00 0.00 6.14 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 76 Y 9.61 4.33 0.00 3.11 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 77 S 8.29 4.47 0.00 4.05 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.71 3.95 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 1.20 0.00 0.00 79 F 8.56 2.70 0.00 3.14 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.00 3.68 1.37 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.85 0.87 0.00 0.00 81 H 8.52 4.16 0.00 3.16 3.45 0.00 5.77 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.96 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 83 L 8.35 4.17 0.00 1.92 1.75 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.85 4.10 0.00 1.87 1.80 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.56 7.81 85 K 7.62 3.89 0.00 1.78 1.71 0.00 1.62 0.00 0.00 1.53 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.38 7.81 86 A 7.28 4.23 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 87 G 8.13 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 0.00 0.00 0.00 88 I 7.79 4.07 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 1.45 0.66 0.93 0.00 0.00 89 E 7.74 4.34 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 90 V 7.61 4.08 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 0.89 0.00 0.00 0.93 0.00 0.00 91 D 9.04 4.38 0.00 2.96 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 92 R 10.33 3.70 0.00 1.82 1.99 0.00 3.27 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 93 K 7.39 4.08 0.00 2.00 2.10 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.21 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.61 7.81 94 N 6.49 2.00 0.00 1.44 2.11 0.00 0.00 7.00 6.66 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 95 L 8.35 4.96 0.00 1.71 1.56 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.96 4.62 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 97 D 7.58 4.63 0.00 2.73 2.86 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 98 L 7.31 3.84 0.00 1.92 1.82 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 99 A 6.91 3.29 -0.15 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 0.00 100 V 6.89 3.00 2.23 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 0.77 0.00 0.00 0.88 0.00 0.00 101 R 7.65 4.25 0.00 1.79 1.81 0.00 3.34 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 102 E 8.72 3.71 0.00 2.45 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 2.18 2.27 0.00 103 P 0.00 4.47 0.00 2.38 2.39 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 104 Q 8.15 3.94 0.00 2.37 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 105 V 8.03 3.59 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 1.06 0.00 0.00 1.03 0.00 0.00 106 F 8.84 4.34 0.00 3.07 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.19 4.16 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 0.00 108 E 8.19 4.03 0.00 2.29 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 2.32 2.50 0.00 109 L 7.68 3.85 0.00 1.63 1.64 1.10 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.44 2.81 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 0.98 0.00 0.00 0.65 0.00 0.00 111 E 7.74 3.76 0.00 2.05 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 2.48 2.46 0.00 112 R 7.63 3.88 0.00 1.68 1.90 0.00 3.25 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.63 0.00 113 A 7.53 4.03 0.91 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 0.00 0.00 114 K 8.22 4.07 0.00 1.85 1.83 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.36 7.81 115 A 7.80 4.33 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 0.00 116 A 7.85 4.44 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 0.00 117 Q 7.14 4.24 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.27 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 118 G 7.47 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.