NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1992 8.3144 121.7902 55.4351 33.1469 174.4495 2 E 3.6052 8.5114 119.8771 54.7615 29.8125 175.1628 3 T 4.0531 8.8384 118.6136 61.4123 71.9106 174.7485 4 A 3.9950 8.6027 123.9504 55.4126 18.4528 180.0415 5 A 4.0967 8.0241 118.5546 55.3551 18.4777 179.6008 6 A 4.4341 8.1087 120.6923 54.4873 18.3279 179.7977 7 K 4.0658 8.3173 119.7798 59.0857 32.3460 178.7033 8 F 4.0760 8.5385 121.1295 61.4058 39.1557 176.8707 9 E 4.0375 8.4856 118.0669 59.4350 29.0843 179.2865 10 R 3.8803 8.0734 117.6568 59.7596 30.2607 178.3171 11 Q 3.9847 8.0403 116.5771 58.2605 28.9671 176.4026 12 H 4.5249 7.8743 113.3796 53.6496 31.7025 173.0978 13 M 4.5334 7.8442 118.5655 53.9614 32.7533 176.2116 14 D 4.7800 8.7642 124.2593 52.5551 40.7395 176.0870 15 S 4.2592 8.3845 119.5088 61.2543 63.4940 176.7935 16 S 4.3776 8.1521 112.2282 59.7217 62.8984 173.6696 17 T 4.6079 7.2636 111.2175 59.6095 70.2530 174.8833 18 S 4.1741 8.7254 120.0780 60.9980 63.5100 174.3198 19 A 3.9493 7.3434 119.2336 50.3621 21.4758 175.5474 20 A 3.4435 7.5627 124.0068 53.0674 18.5857 177.8454 21 S 4.6580 8.5349 116.4056 58.0066 64.3016 173.5432 22 S 4.7395 7.6013 113.8166 56.3401 65.4084 173.9015 23 S 4.3138 8.6473 118.3775 60.9289 63.3673 175.2648 24 N 4.7875 8.0724 116.9073 53.2557 38.3333 175.9041 25 Y 3.9478 7.9058 123.3326 61.0353 38.8345 178.7627 26 C 4.2095 8.2464 116.8300 59.9826 35.1453 175.7466 27 N 4.3721 8.1644 117.5200 56.6510 38.3485 177.1646 28 Q 3.8790 8.0598 120.6460 59.0547 29.1481 177.7864 29 M 3.7314 7.7607 119.7199 57.8194 32.0425 178.5284 30 M 4.0710 7.9813 119.2050 57.9205 31.9712 178.6788 31 K 4.0045 7.9787 121.5010 59.0708 32.3378 178.9939 32 S 4.3203 7.6752 112.0643 60.1913 63.1068 175.1479 33 R 4.3787 7.5260 120.9539 55.0638 30.7703 175.7845 34 N 4.1848 7.9777 114.2014 55.0215 36.6337 174.7864 35 L 4.7078 8.2293 115.1545 54.8048 43.0835 177.9266 36 T 5.8032 7.4966 108.7048 60.4584 68.5834 176.1052 37 K 4.3850 7.6731 122.2068 59.7559 32.7223 177.9854 38 D 4.5054 7.9155 124.0497 56.7149 41.9841 176.8235 39 R 4.0789 7.3328 117.2054 54.7429 32.8549 174.4097 40 C 4.6484 8.6965 121.5891 56.2695 38.5607 173.6107 41 K 4.2029 8.7069 127.4404 55.7562 32.0287 175.7019 42 P 4.7385 0.0000 0.0000 64.7088 32.5006 176.7722 43 V 5.0610 7.3331 114.8936 61.4842 34.9473 174.2095 44 N 4.7049 8.9356 123.9003 52.8739 42.6354 172.8885 45 T 4.7933 7.9062 121.7313 61.6635 71.7505 172.7737 46 F 4.7694 8.8628 125.0833 55.9057 41.4233 174.8544 47 V 4.3236 8.9913 124.0688 61.1662 33.0367 176.0629 48 H 5.5549 8.7751 127.7538 54.6780 26.7285 172.9290 49 E 4.8060 7.7171 116.8521 53.4484 34.2111 176.7789 50 S 4.4074 8.2710 114.6315 58.1980 65.0237 174.9659 51 L 3.9797 8.4354 123.6750 58.1871 41.9263 178.8949 52 A 3.9908 7.9849 120.2460 55.4068 18.1718 179.1953 53 D 4.3287 7.7275 115.5458 57.4928 41.1931 178.9633 54 V 3.7785 7.8286 118.6849 66.1507 31.4541 178.1411 55 Q 3.9035 8.6273 118.0049 58.7251 28.5050 178.2710 56 A 4.1176 8.0939 120.8656 53.9490 18.3593 179.5403 57 V 3.5038 7.7409 117.3495 65.7017 31.3818 176.9127 58 C 3.7376 7.5959 115.1997 58.0014 39.8559 174.2093 59 S 4.6993 7.3276 114.4410 57.8907 63.7968 174.7411 60 Q 4.3534 7.3545 120.4407 56.3168 28.6217 177.4285 61 K 4.2083 7.9922 129.5534 57.0005 33.0136 175.7066 62 N 4.1814 8.8926 127.6160 53.8286 39.1994 174.2420 63 V 4.5930 8.0489 118.5848 58.9353 35.9575 175.3823 64 A 4.2365 8.3735 123.8542 52.1489 19.0516 178.5992 65 C 4.5201 9.3232 119.6255 56.1197 41.1971 175.2488 66 K 3.9154 8.0496 121.0365 59.7093 31.5992 178.3312 67 N 4.4915 8.0140 112.9918 53.4317 37.3614 175.4437 68 G 3.9983 8.4827 108.8686 45.6095 0.0000 174.3354 69 Q 4.0850 7.7615 119.0534 55.5380 29.4640 175.3307 70 T 4.3293 8.1789 112.6502 61.0016 68.9190 174.6946 *72 C 4.7847 8.3358 123.3458 57.0889 38.6714 172.5378 73 Y 5.1063 8.5205 116.9260 56.6994 41.8607 173.9601 74 Q 5.0300 8.9676 125.8319 54.1098 31.0712 174.9034 75 S 4.1657 8.7234 122.1619 58.7616 62.9800 174.3917 76 Y 4.4822 8.6106 121.2765 60.3414 38.0038 176.2703 77 S 5.1284 7.7989 112.4549 56.2392 65.7924 174.3992 78 T 4.1751 8.3315 111.0155 62.2419 69.8128 173.2407 79 M 5.0009 8.9795 121.1942 53.3118 37.1450 174.7536 80 S 4.6590 9.7336 117.5150 58.6574 63.6403 173.0847 81 I 5.0904 9.0742 120.7569 59.3777 41.5708 174.6498 82 T 4.8332 8.8884 119.4249 61.6938 71.4841 173.3945 83 A 4.4854 8.6797 129.2531 51.7755 20.2828 175.2845 84 C 5.5631 9.4940 118.9691 55.1492 41.2418 173.0657 85 R 5.2182 8.6653 123.7470 54.0019 32.9583 174.2604 86 E 3.9835 9.3835 128.5076 56.6340 30.6317 176.9816 87 T 4.3353 8.2914 116.9944 60.4770 70.1443 175.8525 88 G 3.5641 8.5421 110.2851 47.8812 0.0000 174.5288 89 S 4.5564 7.4584 112.5961 57.7503 63.5198 174.2740 90 S 4.1256 7.4790 116.9612 58.2788 62.6255 173.2951 91 K 4.4990 8.3205 127.4109 54.3744 34.6825 174.6663 92 Y 4.1691 8.7927 127.5551 57.5855 39.0970 174.0353 93 P 3.2761 0.0000 0.0000 62.9529 32.3604 176.5675 94 N 4.6226 7.3612 118.9296 52.3186 36.9177 174.3012 95 C 4.3608 7.8664 116.2150 56.8638 36.3108 173.4726 96 A 5.1916 8.5376 125.1198 50.3767 21.7518 174.5988 97 Y 5.0513 9.3175 118.7274 55.9162 41.9988 175.2682 98 K 4.3803 9.2681 124.4846 56.3777 33.8942 175.4492 99 T 5.0039 8.5428 123.3017 62.4215 70.7066 174.4325 100 T 4.5076 8.5869 122.5179 61.4165 70.7362 173.0247 101 Q 4.5282 8.6201 126.8087 56.0430 30.1856 174.4840 102 A 4.3697 8.0594 123.7069 51.6888 23.6436 175.1648 103 N 5.7802 8.8395 116.7412 50.9660 40.3469 174.2710 104 K 4.7734 8.3195 122.0452 54.4808 37.3618 175.6044 105 H 4.8755 8.7566 118.2928 55.8924 30.1190 174.6593 106 I 4.8819 8.4194 114.6947 59.3441 40.7608 174.3079 107 I 4.8715 8.1978 124.6496 59.7138 39.8810 175.1050 108 V 4.7708 8.3782 119.2979 59.2397 35.9518 174.8542 109 A 4.7002 8.4371 124.7293 51.8278 19.8860 175.9472 110 C 5.2224 8.5212 117.4098 55.3052 38.3658 173.0477 111 E 4.7344 8.5875 120.8184 56.4511 33.3771 175.2419 112 G 4.1142 9.7600 110.9162 44.7005 0.0000 171.5875 113 N 5.0994 8.1394 116.0314 50.7990 40.2229 172.1426 114 P 4.4016 0.0000 0.0000 62.4511 32.2710 175.9094 115 Y 4.7897 8.2659 121.3868 56.8345 38.6881 174.6702 116 V 4.5106 8.0537 119.5766 58.2242 36.7533 173.4292 117 P 4.3607 0.0000 0.0000 63.3002 31.0866 176.3774 118 V 4.4390 7.9799 115.7159 61.0982 33.3513 174.9694 119 H 4.8926 7.8760 118.5050 55.2906 33.2564 171.8992 120 F 4.7311 8.6119 127.1948 57.1495 39.8404 174.4099 121 D 4.5919 8.2201 126.5019 55.7775 41.6107 175.8435 122 A 4.6037 6.7760 117.1846 51.4027 22.5489 174.3229 123 S 5.1662 8.8309 113.7511 56.7971 65.4536 174.5452 124 V 4.0620 8.4478 121.3173 63.1198 30.9675 175.2516 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 1 K 8.31 4.20 0.00 1.74 1.82 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 2 E 8.51 3.61 0.00 2.13 1.87 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 2.47 2.38 0.00 3 T 8.84 4.05 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 1.23 0.00 0.00 4 A 8.60 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.02 4.10 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 6 A 8.11 4.43 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 7 K 8.32 4.07 0.00 1.96 2.06 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.32 7.81 8 F 8.54 4.08 0.00 3.15 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 9 E 8.49 4.04 0.00 2.30 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 2.46 2.60 0.00 10 R 8.07 3.88 0.00 1.77 2.09 0.00 3.25 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 1.62 1.67 0.00 11 Q 8.04 3.98 0.00 1.53 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.48 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 12 H 7.87 4.52 0.00 2.08 2.65 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.84 4.53 0.00 1.99 2.23 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.73 0.00 14 D 8.76 4.78 0.00 2.83 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 15 S 8.38 4.26 0.00 3.96 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 16 S 8.15 4.38 0.00 3.98 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 17 T 7.26 4.61 4.21 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 1.30 0.00 0.00 18 S 8.73 4.17 0.00 3.97 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 19 A 7.34 3.95 1.09 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 20 A 7.56 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.53 4.66 0.00 3.80 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 22 S 7.60 4.74 0.00 3.78 3.72 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 23 S 8.65 4.31 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.07 4.79 0.00 2.77 2.87 0.00 0.00 6.80 7.48 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 25 Y 7.91 3.95 0.00 2.98 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 26 C 8.25 4.21 0.00 3.16 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 27 N 8.16 4.37 0.00 2.88 2.91 0.00 0.00 6.74 7.34 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 28 Q 8.06 3.88 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.76 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 29 M 7.76 3.73 0.00 0.80 1.15 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.52 0.00 30 M 7.98 4.07 0.00 1.67 1.73 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 2.41 0.00 31 K 7.98 4.00 0.00 1.89 1.87 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.29 7.81 32 S 7.68 4.32 0.00 4.01 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 33 R 7.53 4.38 0.00 1.97 2.00 0.00 3.58 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.94 0.00 34 N 7.98 4.18 0.00 2.86 2.87 0.00 0.00 6.72 7.84 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 35 L 8.23 4.71 0.00 1.77 1.63 0.84 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.50 5.80 4.40 0.00 0.00 0.00 0.00 0.00 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 37 K 7.67 4.38 0.00 1.81 1.81 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.43 7.81 38 D 7.92 4.51 0.00 2.61 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.33 4.08 0.00 1.63 1.64 0.00 3.13 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 40 C 8.70 4.65 0.00 3.06 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 41 K 8.71 4.20 0.00 1.92 1.82 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.44 7.81 42 P 0.00 4.74 0.00 2.15 2.10 0.00 3.93 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.95 0.00 43 V 7.33 5.06 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 0.75 0.00 0.00 0.98 0.00 0.00 44 N 8.94 4.70 0.00 2.72 2.33 0.00 0.00 6.79 7.38 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 45 T 7.91 4.79 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 0.96 0.00 0.00 46 F 8.86 4.77 0.00 3.03 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 47 V 8.99 4.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.94 0.00 0.00 48 H 8.78 5.55 0.00 3.12 3.39 0.00 5.61 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.72 4.81 0.00 1.95 1.87 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 2.25 2.25 0.00 50 S 8.27 4.41 0.00 4.07 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 51 L 8.44 3.98 0.00 1.82 1.73 1.06 1.12 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 52 A 7.98 3.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.73 4.33 0.00 2.85 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.83 3.78 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 1.20 0.00 0.00 1.07 0.00 0.00 55 Q 8.63 3.90 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.61 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 56 A 8.09 4.12 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.74 3.50 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 0.97 0.00 0.00 0.99 0.00 0.00 58 C 7.60 3.74 0.00 2.79 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.33 4.70 0.00 3.90 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 60 Q 7.35 4.35 0.00 1.77 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.03 2.22 0.00 61 K 7.99 4.21 0.00 1.93 1.79 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.44 7.81 62 N 8.89 4.18 0.00 2.74 2.65 0.00 0.00 7.02 7.71 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 63 V 8.05 4.59 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 0.66 0.00 0.00 0.86 0.00 0.00 64 A 8.37 4.24 1.17 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 65 C 9.32 4.52 0.00 2.98 2.98 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 66 K 8.05 3.92 0.00 1.86 1.87 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.54 7.81 67 N 8.01 4.49 0.00 2.81 2.91 0.00 0.00 6.29 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 68 G 8.48 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.76 4.08 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 70 T 8.18 4.33 4.14 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 1.15 0.00 0.00 *72 C 8.34 4.78 0.00 2.98 2.97 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 73 Y 8.52 5.11 0.00 2.85 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 74 Q 8.97 5.03 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.98 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 75 S 8.72 4.17 0.00 3.93 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 76 Y 8.61 4.48 0.00 3.05 2.98 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 77 S 7.80 5.13 0.00 3.90 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 78 T 8.33 4.18 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 79 M 8.98 5.00 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 80 S 9.73 4.66 0.00 3.87 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.07 5.09 1.85 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 1.27 0.69 1.02 0.00 0.00 82 T 8.89 4.83 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 1.14 0.00 0.00 83 A 8.68 4.49 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 84 C 9.49 5.56 0.00 2.93 2.97 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 85 R 8.67 5.22 0.00 1.91 1.80 0.00 3.14 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 86 E 9.38 3.98 0.00 1.77 1.71 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 2.13 1.86 0.00 87 T 8.29 4.34 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 1.22 0.00 0.00 88 G 8.54 3.56 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 0.00 0.00 0.00 89 S 7.46 4.56 0.00 3.93 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 90 S 7.48 4.13 0.00 3.80 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.32 4.50 0.00 1.76 1.57 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.43 7.81 92 Y 8.79 4.17 0.00 2.97 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 P 0.00 3.28 0.00 1.75 1.02 0.00 3.64 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 94 N 7.36 4.62 0.00 2.64 2.79 0.00 0.00 6.95 8.66 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 C 7.87 4.36 0.00 3.18 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 96 A 8.54 5.19 1.16 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 97 Y 9.32 5.05 0.00 2.84 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 98 K 9.27 4.38 0.00 1.84 1.73 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.45 7.81 99 T 8.54 5.00 4.31 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 1.31 0.00 0.00 100 T 8.59 4.51 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 1.23 0.00 0.00 101 Q 8.62 4.53 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 102 A 8.06 4.37 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 0.00 103 N 8.84 5.78 0.00 2.56 2.76 0.00 0.00 7.05 7.61 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 0.00 104 K 8.32 4.77 0.00 1.74 1.70 0.00 1.57 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.53 7.81 105 H 8.76 4.88 0.00 3.17 3.24 0.00 5.78 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.42 4.88 1.98 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.84 1.17 0.00 0.00 107 I 8.20 4.87 1.68 0.00 0.00 0.80 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 0.68 0.80 0.00 0.00 108 V 8.38 4.77 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 0.87 0.00 0.00 0.82 0.00 0.00 109 A 8.44 4.70 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 C 8.52 5.22 0.00 2.24 1.68 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 0.00 0.00 0.00 0.00 111 E 8.59 4.73 0.00 2.02 1.67 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 2.24 2.31 0.00 112 G 9.76 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.14 5.10 0.00 2.65 2.71 0.00 0.00 6.92 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 0.00 114 P 0.00 4.40 0.00 2.23 2.05 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 115 Y 8.27 4.79 0.00 2.83 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 0.00 116 V 8.05 4.51 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 0.62 0.00 0.00 0.89 0.00 0.00 117 P 0.00 4.36 0.00 0.49 1.39 0.00 3.45 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 118 V 7.98 4.44 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 0.71 0.00 0.00 0.94 0.00 0.00 119 H 7.88 4.89 0.00 3.21 3.12 0.00 5.64 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 0.00 120 F 8.61 4.73 0.00 2.50 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 0.00 121 D 8.22 4.59 0.00 2.61 2.54 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 0.00 122 A 6.78 4.60 1.16 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 0.00 123 S 8.83 5.17 0.00 3.98 4.06 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 0.00 124 V 8.45 4.06 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 0.76 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.