NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3413 8.2649 123.5883 51.9924 20.2312 176.7474 3 T 4.3283 8.0664 116.9129 63.5059 69.3200 172.5288 4 K 4.7448 9.2098 124.5709 55.6789 37.1541 174.1068 5 I 4.8443 7.9714 118.0201 59.0077 41.3328 175.6187 6 D 4.6231 8.8035 127.7352 52.5348 39.1189 176.8985 7 K 3.7083 8.1425 123.4280 59.1603 32.2657 177.5077 8 E 3.8000 8.1528 117.9888 59.4592 29.4752 178.4245 9 A 4.3461 8.0796 119.5065 54.7442 19.4051 179.0933 10 C 4.5957 8.6611 114.8658 62.1879 28.0768 176.0544 11 R 4.0492 8.3554 121.0013 58.7999 29.6583 178.1777 12 A 3.9868 8.0367 120.1169 54.9880 18.2867 179.1614 13 A 3.9274 7.5113 116.5118 55.5273 18.9137 178.5669 14 Y 4.4202 8.1167 117.8362 61.4754 38.7931 178.5733 15 N 4.1718 8.5540 116.9363 55.9256 38.3313 177.1687 16 L 4.0004 7.7261 121.2551 57.5690 42.2273 178.4334 17 V 4.1337 7.6131 116.4725 64.6432 31.6594 178.0515 18 R 4.3023 7.7908 117.0059 58.1163 30.4493 176.2214 19 D 4.3150 7.5451 116.3321 55.0139 41.1388 176.0845 20 D 4.4772 8.8686 126.9560 57.6576 41.4116 177.4731 21 G 4.2198 7.7059 109.8657 44.9898 0.0000 172.4335 22 S 4.4477 7.7112 114.4901 57.3521 66.9991 177.1179 23 A 3.9003 7.8729 124.1497 52.3754 18.2861 177.8979 24 V 3.8804 7.5406 116.1673 62.9617 31.8738 175.5385 25 I 4.5300 8.4613 120.0568 60.4213 39.5247 174.9886 26 W 5.7602 7.1155 119.0862 56.1744 31.2885 173.8409 27 V 4.8316 8.4931 114.9129 59.9497 35.5274 174.6721 28 T 4.9438 9.3440 114.9248 60.3100 71.9366 173.2931 29 F 5.5434 9.6207 121.2380 55.7392 42.7306 174.4586 30 K 5.1684 9.8631 122.0310 55.2590 36.6505 174.5440 31 Y 4.5090 8.7817 118.0068 56.9448 38.8848 175.4836 32 D 5.2106 8.8042 125.8423 51.2588 42.4259 174.8429 33 G 4.1151 9.1326 114.6613 44.0491 0.0000 172.2139 34 S 4.8555 9.4054 120.1379 57.9327 65.9881 174.2974 35 T 4.9090 7.7908 118.6028 61.9915 70.5332 173.7724 36 I 4.3376 8.6018 128.6700 61.3636 38.3571 175.7274 37 V 4.9231 9.0332 119.0413 58.9423 36.7305 172.4967 38 P 4.7489 0.0000 0.0000 64.0012 31.8878 174.7066 39 G 4.0073 9.5018 108.8572 46.6562 0.0000 176.0677 40 E 5.0711 8.2227 126.1518 54.6931 33.2682 174.2473 41 Q 3.2085 7.8989 117.1848 55.2968 31.6756 173.6714 42 G 3.8023 5.8643 105.8197 46.1085 0.0000 173.0479 43 A 4.6626 8.6343 119.9547 51.1773 20.7932 176.5629 44 E 4.6518 8.0721 116.3465 54.7752 31.1175 176.3519 45 Y 4.0419 8.7625 125.1124 60.7053 37.5829 177.7118 46 Q 3.8778 8.1089 119.9453 59.1213 29.0711 177.6341 47 H 4.5385 8.0340 116.8549 58.1754 28.7404 177.5000 48 F 2.8061 7.1291 122.6755 60.7774 38.8928 177.1207 49 I 2.9018 6.2100 119.2549 64.0652 36.5717 177.6324 50 Q 3.9699 6.9073 114.7965 57.0513 28.7193 176.8794 51 Q 4.0039 7.5068 119.2880 57.9167 29.6751 176.7229 52 C 3.2807 6.2732 117.4812 58.2471 26.3836 172.5181 53 T 4.2346 7.0489 113.7285 60.5976 70.5507 175.9466 54 D 4.7686 8.5785 119.4311 55.9916 41.1048 177.6205 55 D 5.0856 7.7082 117.1822 53.7951 41.6239 175.8804 56 V 4.8317 7.5440 112.2150 59.4760 35.5766 174.7688 57 R 5.1622 8.3402 117.9537 54.8282 32.5839 173.9541 58 L 4.4792 9.1355 121.0268 55.5110 44.5390 173.1333 59 F 5.7629 9.4624 117.0285 55.9845 42.5481 174.7487 60 A 5.3730 10.0091 122.7840 50.5090 23.3712 174.9670 61 F 5.4156 8.9837 121.1909 56.6637 42.5284 173.8859 62 V 4.4791 8.7330 126.4711 60.8792 34.7030 174.0495 63 R 3.7485 8.4067 128.7628 54.8268 30.8838 175.1609 64 F 4.6544 8.8177 126.1942 56.0775 41.2796 174.9155 65 T 4.9753 8.4610 120.3634 62.3594 70.3028 173.9618 66 T 4.5119 8.2372 115.0358 60.6287 73.0321 174.8857 67 G 4.1608 8.8290 109.8094 46.4393 0.0000 172.1291 68 D 4.3397 8.8333 115.8548 54.2560 44.9090 176.6430 69 A 3.7359 8.6057 129.5966 54.0441 17.4767 179.5270 *71 S 4.4329 7.8514 105.1956 57.3698 64.6014 173.4568 72 K 4.5296 7.8019 123.0088 56.9015 32.5434 176.3646 73 R 4.7458 8.7096 122.2127 54.8166 33.4284 174.0464 74 S 4.7403 8.7356 117.5703 57.3233 64.3271 173.8475 75 K 4.5250 9.2035 126.3609 54.9732 33.4118 175.9220 76 F 4.9758 9.0030 124.2070 56.5130 41.0702 174.9628 77 A 5.5425 9.1311 123.3703 50.3233 22.8392 174.4786 78 L 5.2833 8.8803 123.7046 53.6755 44.2200 175.3235 79 I 5.2824 9.6257 126.8898 59.9835 41.5561 174.6473 80 T 4.9424 9.4771 123.4264 61.7424 70.7167 172.7436 81 W 5.0446 9.0902 135.0000 56.2538 32.2017 174.9148 82 I 4.2336 7.4639 128.3440 58.7342 39.2499 175.4557 83 G 3.6247 8.3851 115.1846 46.2215 0.0000 174.1892 84 E 3.9432 8.9476 124.0128 58.2274 29.9590 176.5875 85 N 4.8791 8.0403 117.0096 53.3680 39.3881 174.3179 86 V 4.3532 6.9179 114.9750 60.2817 34.0613 175.7250 87 S 4.3797 8.3838 120.4248 58.8923 64.6129 176.0651 88 G 3.6750 8.5876 112.0265 48.3892 0.0000 176.9247 89 L 4.0483 7.7843 124.1795 59.1628 41.0392 181.3259 90 Q 4.2603 8.0521 118.3998 59.2067 28.4535 179.1022 91 R 3.8219 7.4763 116.7571 59.5657 30.3462 178.6820 92 A 4.2361 7.7227 121.9571 55.6244 18.6123 180.4877 93 K 4.0228 8.8462 123.1467 60.2094 31.2997 181.4604 94 T 4.6395 8.1319 117.8260 66.1015 68.1596 177.0667 95 G 3.8442 7.7636 106.6909 47.3560 0.0000 175.8257 96 T 4.1401 7.7662 117.9355 66.8572 68.7856 176.5366 97 D 4.4833 8.1546 119.7921 56.8073 40.6991 178.8074 98 K 3.5300 7.8069 118.2329 59.4732 31.7056 179.2093 99 T 3.8148 7.4282 115.1643 66.6161 68.6643 176.1250 100 L 3.9715 7.6148 121.5967 57.8477 42.1409 178.8789 101 V 3.3883 7.3424 118.3668 65.1675 31.2034 177.4955 102 K 4.3273 7.9794 116.2939 57.7154 31.9423 178.4148 103 E 4.0062 7.4176 118.2543 58.5537 29.4760 178.5042 104 V 3.7521 7.1275 116.6080 64.1857 33.3918 177.0958 105 V 2.3471 6.7639 119.3188 61.0194 29.6489 175.1664 106 Q 4.0443 7.3688 122.6100 57.8382 29.3227 176.9252 107 N 5.4862 8.7485 114.2442 50.1751 41.3312 173.6043 108 F 5.3761 7.6086 115.2842 55.3806 40.7551 174.9747 109 A 4.5177 9.0036 125.8871 54.5688 18.8702 177.1180 110 K 4.5803 8.0485 115.0952 55.8679 36.3342 173.9012 111 E 5.0817 8.4036 123.6139 54.3244 32.7966 174.6637 112 F 5.0135 9.3879 123.2271 55.6937 43.5991 174.3312 113 V 4.9215 8.7142 121.1029 61.4933 33.3041 174.4814 114 I 4.9042 8.8005 128.6627 59.4547 41.2036 176.8203 115 S 3.5575 8.3902 115.3660 57.0418 64.4811 173.3715 116 D 4.7943 8.0454 120.2386 52.7547 42.3443 175.5891 117 R 3.8171 9.3079 129.6011 60.0492 30.0599 179.7878 118 K 3.8031 8.4669 118.9064 57.3697 31.6823 180.3431 119 E 4.3552 8.6217 115.4686 58.7977 29.6017 177.4760 120 L 4.4460 8.9149 118.0221 54.5545 42.2730 176.8183 121 E 3.9349 7.9247 120.4022 56.7479 30.4190 176.3911 122 E 3.7062 9.2425 127.1064 59.9978 29.6553 178.6788 123 D 4.4125 9.2156 118.1832 56.5466 40.8798 178.4712 124 F 4.2900 8.2101 121.3209 61.0046 39.5999 177.2867 125 I 3.2803 7.9749 118.5453 63.6012 37.6629 178.0879 126 K 3.6199 7.5790 119.4280 59.0145 31.7390 179.1409 127 S 4.0125 7.6507 113.0707 61.5358 62.0510 176.2043 128 E 3.8826 7.5996 120.0143 59.2813 29.1593 179.0555 129 L 4.2621 7.8426 121.0891 57.7895 41.4104 180.2518 130 K 4.0463 7.6914 123.5114 59.4611 31.8163 183.2514 131 K 4.4154 7.6720 116.4062 55.3379 32.4210 177.6970 132 A 4.3381 8.0069 123.5253 50.1028 17.7754 180.1809 133 G 4.2600 9.2238 114.4491 46.8997 0.0000 175.8021 134 G 4.1574 8.4131 112.3430 43.8326 0.0000 172.7318 135 A 4.4473 8.6023 124.0723 53.0625 19.2209 177.5625 136 N 4.5947 8.3443 117.8098 52.3908 40.8670 171.6180 *137 Y 5.0231 8.1449 121.7711 55.4436 37.1474 173.0274 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 A 8.26 4.34 1.32 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 3 T 8.07 4.33 4.37 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 1.34 0.00 0.00 4 K 9.21 4.74 0.00 1.74 1.88 0.00 1.29 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.46 7.81 5 I 7.97 4.84 1.72 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.88 0.79 0.00 0.00 6 D 8.80 4.62 0.00 2.79 2.55 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 7 K 8.14 3.71 0.00 1.79 1.78 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.44 7.81 8 E 8.15 3.80 0.00 1.94 2.02 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 2.31 2.36 0.00 9 A 8.08 4.35 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 10 C 8.66 4.60 0.00 2.80 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 11 R 8.36 4.05 0.00 1.93 1.93 0.00 3.10 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 1.68 0.00 12 A 8.04 3.99 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 13 A 7.51 3.93 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 14 Y 8.12 4.42 0.00 3.13 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 15 N 8.55 4.17 0.00 2.91 2.82 0.00 0.00 6.76 7.45 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 16 L 7.73 4.00 0.00 1.79 1.93 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.61 4.13 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 0.92 0.00 0.00 1.09 0.00 0.00 18 R 7.79 4.30 0.00 1.73 1.83 0.00 2.69 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.23 0.00 19 D 7.55 4.32 0.00 2.63 2.71 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 20 D 8.87 4.48 0.00 2.77 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 21 G 7.71 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 0.00 0.00 0.00 22 S 7.71 4.45 0.00 3.93 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 23 A 7.87 3.90 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 24 V 7.54 3.88 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 0.62 0.00 0.00 0.86 0.00 0.00 25 I 8.46 4.53 1.90 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 1.34 1.38 0.84 0.00 0.00 26 W 7.12 5.76 0.00 3.07 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 27 V 8.49 4.83 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 1.01 0.00 0.00 0.95 0.00 0.00 28 T 9.34 4.94 4.43 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 1.64 0.00 0.00 29 F 9.62 5.54 0.00 3.25 3.02 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 30 K 9.86 5.17 0.00 1.90 2.02 0.00 1.40 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.51 7.81 31 Y 8.78 4.51 0.00 3.04 3.02 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 32 D 8.80 5.21 0.00 2.70 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 33 G 9.13 4.12 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 0.00 0.00 0.00 34 S 9.41 4.86 0.00 3.93 4.12 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 35 T 7.79 4.91 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 1.21 0.00 0.00 36 I 8.60 4.34 1.70 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.21 0.83 0.00 0.00 37 V 9.03 4.92 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 0.86 0.00 0.00 1.00 0.00 0.00 38 P 0.00 4.75 0.00 2.00 2.06 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.34 0.00 39 G 9.50 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 40 E 8.22 5.07 0.00 2.16 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 2.34 2.58 0.00 41 Q 7.90 3.21 0.00 1.45 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 42 G 5.86 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 0.00 0.00 0.00 43 A 8.63 4.66 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 44 E 8.07 4.65 0.00 1.87 1.73 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 2.34 2.14 0.00 45 Y 8.76 4.04 0.00 2.99 3.02 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 46 Q 8.11 3.88 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 47 H 8.03 4.54 0.00 3.74 3.51 0.00 5.69 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.13 2.81 0.00 1.51 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 0.00 0.00 0.00 49 I 6.21 2.90 1.49 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 0.46 0.55 0.00 0.00 50 Q 6.91 3.97 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 51 Q 7.51 4.00 0.00 1.61 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.49 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 52 C 6.27 3.28 0.00 1.60 1.18 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 0.00 53 T 7.05 4.23 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 1.11 0.00 0.00 54 D 8.58 4.77 0.00 2.78 2.80 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 55 D 7.71 5.09 0.00 2.79 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 56 V 7.54 4.83 2.19 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 0.81 0.00 0.00 1.28 0.00 0.00 57 R 8.34 5.16 0.00 1.60 1.71 0.00 2.80 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.58 0.00 58 L 9.14 4.48 0.00 2.06 1.94 1.21 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 59 F 9.46 5.76 0.00 3.43 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 60 A 10.01 5.37 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 61 F 8.98 5.42 0.00 3.51 3.20 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 0.00 62 V 8.73 4.48 1.79 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 -0.07 0.00 0.00 0.37 0.00 0.00 63 R 8.41 3.75 0.00 1.37 1.45 0.00 3.13 0.00 0.00 2.94 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.75 0.00 64 F 8.82 4.65 0.00 3.02 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 65 T 8.46 4.98 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 1.18 0.00 0.00 66 T 8.24 4.51 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 1.17 0.00 0.00 67 G 8.83 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 0.00 0.00 0.00 68 D 8.83 4.34 0.00 2.55 2.48 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 69 A 8.61 3.74 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 *71 S 7.85 4.43 0.00 4.02 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 72 K 7.80 4.53 0.00 1.87 1.80 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.38 7.81 73 R 8.71 4.75 0.00 1.92 1.96 0.00 2.81 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 74 S 8.74 4.74 0.00 3.86 3.66 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 75 K 9.20 4.53 0.00 1.67 1.82 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.54 7.81 76 F 9.00 4.98 0.00 3.26 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 A 9.13 5.54 1.65 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 78 L 8.88 5.28 0.00 1.67 0.66 1.16 0.44 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 79 I 9.63 5.28 2.14 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.12 1.28 0.00 0.00 80 T 9.48 4.94 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 1.21 0.00 0.00 81 W 9.09 5.04 0.00 3.55 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 82 I 7.46 4.23 1.52 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 0.97 0.55 0.69 0.00 0.00 83 G 8.39 3.62 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 0.00 0.00 0.00 84 E 8.95 3.94 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 2.27 2.26 0.00 85 N 8.04 4.88 0.00 2.69 3.15 0.00 0.00 6.98 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 86 V 6.92 4.35 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 0.76 0.00 0.00 0.91 0.00 0.00 87 S 8.38 4.38 0.00 3.85 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 88 G 8.59 3.68 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 0.00 0.00 0.00 89 L 7.78 4.05 0.00 1.67 1.69 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 8.05 4.26 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 91 R 7.48 3.82 0.00 1.73 1.96 0.00 3.11 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.93 0.00 92 A 7.72 4.24 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 93 K 8.85 4.02 0.00 1.72 1.84 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 94 T 8.13 4.64 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 95 G 7.76 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 0.00 0.00 0.00 96 T 7.77 4.14 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 1.24 0.00 0.00 97 D 8.15 4.48 0.00 3.02 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 98 K 7.81 3.53 0.00 1.84 1.85 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.17 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.87 1.78 7.81 99 T 7.43 3.81 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 1.18 0.00 0.00 100 L 7.61 3.97 0.00 1.67 1.69 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.34 3.39 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.02 0.00 0.00 102 K 7.98 4.33 0.00 1.84 1.90 0.00 2.03 0.00 0.00 1.88 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.73 7.81 103 E 7.42 4.01 0.00 2.09 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 2.26 2.22 0.00 104 V 7.13 3.75 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 0.51 0.00 0.00 0.73 0.00 0.00 105 V 6.76 2.35 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 0.92 0.00 0.00 0.60 0.00 0.00 106 Q 7.37 4.04 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.46 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 107 N 8.75 5.49 0.00 2.70 2.60 0.00 0.00 6.08 7.67 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 0.00 108 F 7.61 5.38 0.00 3.60 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 0.00 109 A 9.00 4.52 1.50 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 0.00 110 K 8.05 4.58 0.00 2.03 1.62 0.00 1.48 0.00 0.00 1.32 0.00 0.00 2.62 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.56 1.15 7.81 111 E 8.40 5.08 0.00 1.19 1.60 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 2.10 2.21 0.00 112 F 9.39 5.01 0.00 3.11 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 0.00 113 V 8.71 4.92 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 0.84 0.00 0.00 1.01 0.00 0.00 114 I 8.80 4.90 2.16 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.92 1.26 0.00 0.00 115 S 8.39 3.56 0.00 3.61 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 0.00 116 D 8.05 4.79 0.00 2.68 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 0.00 117 R 9.31 3.82 0.00 1.85 1.88 0.00 2.94 0.00 0.00 3.06 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.12 0.00 118 K 8.47 3.80 0.00 1.68 1.85 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.31 7.81 119 E 8.62 4.36 0.00 2.33 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 2.73 2.36 0.00 120 L 8.91 4.45 0.00 1.69 1.81 0.41 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.92 3.93 0.00 2.18 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 2.35 2.51 0.00 122 E 9.24 3.71 0.00 2.15 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 2.31 2.20 0.00 123 D 9.22 4.41 0.00 2.92 2.71 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 0.00 124 F 8.21 4.29 0.00 3.13 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 0.00 125 I 7.97 3.28 1.66 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.23 0.31 0.00 0.00 126 K 7.58 3.62 0.00 1.70 1.68 0.00 1.64 0.00 0.00 1.50 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.19 1.27 7.81 127 S 7.65 4.01 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 0.00 128 E 7.60 3.88 0.00 2.02 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 1.62 1.89 0.00 129 L 7.84 4.26 0.00 1.75 1.70 0.44 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.69 4.05 0.00 1.87 1.72 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 131 K 7.67 4.42 0.00 1.66 1.87 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.51 7.81 132 A 8.01 4.34 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 0.00 133 G 9.22 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 0.00 0.00 0.00 0.00 134 G 8.41 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 0.00 0.00 0.00 135 A 8.60 4.45 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 0.00 136 N 8.34 4.59 0.00 2.36 2.67 0.00 0.00 6.69 7.57 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 *137 Y 8.14 5.02 0.00 2.32 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.