NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 G 3.8786 8.3393 109.7368 44.7676 0.0000 173.5347 -3 P 4.4250 0.0000 0.0000 60.5447 32.8273 174.3574 -2 H 4.1924 8.6960 118.2013 59.0226 30.8903 175.5641 -1 M 4.0425 7.4889 113.2051 54.4897 33.2848 172.7593 *17 A 4.7210 7.7925 119.6849 52.0594 20.4864 175.3909 18 I 4.7035 8.1115 120.3644 59.8375 39.6272 174.7222 19 H 4.7702 9.1145 124.8880 54.1215 30.8833 173.5630 20 I 4.7233 8.2775 124.4128 59.7202 38.7159 174.9788 21 L 4.6462 8.7927 127.6915 53.1117 44.5796 175.8799 22 T 5.0783 9.2539 113.2591 59.8023 72.1502 174.0789 23 E 3.9444 8.8449 119.2182 59.8103 29.4943 179.8179 24 K 4.0063 7.6702 117.2170 58.9389 32.3683 177.4399 25 E 4.4482 8.2668 117.3509 55.7230 29.6735 175.2670 26 D 4.3739 7.4851 118.8353 56.4799 41.3883 176.7553 27 H 4.1928 9.0857 121.5104 55.9742 27.4966 175.0226 28 A 4.4172 8.0405 121.9576 52.1064 19.8506 176.5946 29 T 4.9499 8.4064 115.7417 61.6700 70.9644 173.5710 30 L 4.6289 8.8758 128.8570 53.5252 44.6200 174.4801 31 H 5.3573 8.8743 123.7395 54.2273 30.2193 173.9619 32 I 4.7244 8.7245 116.6771 58.9937 41.5049 175.3001 33 S 5.0442 8.9158 119.3332 57.4852 63.6797 175.8210 34 F 4.3055 8.5552 117.3127 59.2002 37.7033 176.0329 35 N 4.4271 7.0324 116.6524 52.3753 37.2016 174.2691 36 D 4.7823 7.3891 119.2870 54.2087 42.3419 175.1467 37 L 4.9118 8.7051 121.1074 53.4673 45.4421 174.8634 38 I 4.7956 8.5866 126.1238 59.4892 39.8200 174.5944 39 K 4.8490 9.1508 126.5650 54.7295 34.7514 175.0582 40 I 4.6340 8.9456 127.2515 59.8160 39.0754 174.9339 41 Q 4.9471 8.6886 125.9349 54.0760 31.4350 175.0115 42 L 4.7097 8.7117 123.8534 52.5982 45.9411 176.5312 43 R 4.4861 8.7477 122.0930 56.7626 30.7430 175.7764 44 T 4.9047 8.8407 115.6355 61.5418 71.8006 172.0502 45 N 5.2453 9.5111 123.5309 51.2053 39.7825 172.9024 46 P 4.5827 0.0000 0.0000 64.7643 32.0038 179.0718 47 S 4.2723 7.9465 112.2633 60.5623 62.8490 175.1032 48 T 4.4814 8.0179 109.6005 61.2038 68.3099 175.1979 49 G 4.0038 8.3409 112.3799 45.6049 0.0000 173.5202 50 Y 3.9989 7.3906 116.4425 57.8605 38.7940 174.9288 51 A 4.8178 8.3274 123.2001 50.2971 23.2414 175.5579 52 W 4.9662 9.0633 120.7513 56.7020 30.3237 175.5775 53 N 5.2265 9.6830 121.4098 51.4503 41.4698 173.2556 54 I 5.0986 8.6384 124.7649 59.9536 41.0068 174.9426 55 E 4.7634 9.3605 125.6595 55.1495 33.9949 173.3279 56 Y 5.2003 7.6301 119.2809 54.8214 40.8254 172.6719 57 P 4.4964 0.0000 0.0000 62.5601 31.3445 176.8056 58 T 4.1282 8.3214 110.5941 62.8351 69.3584 173.8068 59 D 4.3974 8.7659 119.9008 56.2239 38.6657 174.7246 60 T 4.2835 7.6087 112.5917 64.4142 71.3097 174.5372 61 F 5.4481 7.9705 117.0995 55.5405 42.8637 174.5786 62 S 4.7978 9.0037 117.0717 56.8928 65.4908 173.2983 63 L 4.8368 8.5701 125.2988 54.4230 41.2363 175.9516 64 S 4.4948 9.0701 123.0649 60.5472 64.1669 174.4269 65 Q 4.6780 7.7106 119.7221 54.8968 32.3890 172.5339 66 D 5.2612 8.5863 124.0612 53.0683 44.3360 174.4574 67 T 4.8437 9.0447 121.1348 61.9300 73.4058 172.5692 68 I 5.2346 8.3911 124.0659 59.2146 40.9913 174.4421 69 K 4.8341 8.9786 126.4910 54.8651 36.3387 175.4070 70 A 4.1982 8.7963 125.7724 54.5443 18.7744 176.4353 71 E 3.7122 9.6699 118.3620 57.9152 28.8594 177.9663 *80 F 4.9119 8.4292 118.8236 57.4142 39.9851 173.0877 81 P 4.6216 0.0000 0.0000 64.4020 32.7805 176.0650 82 S 5.3108 8.3599 115.9274 56.9730 68.1103 172.7454 83 I 5.0331 8.9082 121.3785 59.6587 40.8179 174.5900 84 R 5.0474 9.3870 127.6115 54.6612 32.1201 174.2155 85 E 5.1182 9.2542 127.6242 54.3897 32.7332 174.3441 86 I 4.9285 8.8880 127.5273 59.6091 40.5976 174.2511 87 Q 5.0366 9.0748 126.4202 54.0288 31.3318 174.6429 88 L 5.1891 8.9151 123.8458 52.7617 45.3993 175.4725 89 K 4.8934 8.7297 122.3948 53.7507 34.7183 174.1444 90 P 4.6672 0.0000 0.0000 63.0920 31.6233 176.1711 91 L 4.8373 8.8616 122.2137 54.5303 43.2548 176.3363 92 K 4.5198 7.6574 116.1917 55.7010 35.3184 175.4271 93 V 4.2138 8.7481 112.9579 60.3675 33.4985 175.4691 94 G 3.8711 7.7896 108.1620 44.1923 0.0000 172.1843 95 T 5.0674 8.0551 116.1230 62.3120 70.3755 174.3656 96 T 4.8042 9.2811 119.3864 61.1007 71.8264 172.0996 97 T 5.2204 8.5872 120.1107 61.7779 71.6889 173.5972 98 I 4.9175 9.1227 128.8095 60.1565 40.2127 175.3520 99 K 5.0375 9.2575 129.6240 53.3592 35.4331 172.9040 100 L 5.4633 9.1648 124.4321 52.1595 45.7261 175.8710 101 G 4.5115 9.3596 108.7376 44.6159 0.0000 170.6578 102 Y 4.7565 8.4970 125.1016 55.5882 40.7186 174.6518 103 S 4.7162 7.9551 119.7907 57.5173 67.3069 174.2162 104 R 3.9211 7.6325 119.4308 53.5898 30.6915 176.0609 105 P 4.2851 0.0000 0.0000 63.3298 31.0429 176.5131 106 W 4.8623 6.9354 113.7870 56.3419 29.7388 175.0604 107 E 4.4949 7.3589 121.7560 56.8992 29.3669 179.2049 108 K 3.9523 8.1828 123.0946 57.4291 31.9309 180.9525 109 G 3.8658 8.3067 108.7876 48.3423 0.0000 173.6758 110 K 4.6110 7.4833 121.5923 52.5494 34.9423 180.9947 111 E 4.2504 8.4005 113.7477 55.9638 30.2114 175.7936 112 P 4.4211 0.0000 0.0000 63.0573 32.0453 176.5224 113 L 4.1675 8.1583 123.2238 58.0230 42.6287 177.4509 114 R 4.8006 7.8041 117.0160 54.7186 33.8423 173.9438 115 S 5.3848 8.7575 119.8571 56.8112 66.5965 173.3189 116 L 4.9389 9.1275 122.4684 53.2986 45.8631 175.7247 117 T 4.9048 8.8409 118.2008 62.0451 72.8074 172.5940 118 Y 5.3266 8.8848 122.7674 56.3094 42.3003 174.1667 119 S 5.2016 9.0998 118.0760 56.7250 65.0211 172.8309 120 V 4.7614 9.1985 126.5758 61.1068 34.5573 174.0709 121 V 4.6659 8.8232 128.6297 61.5065 33.3099 174.1986 122 I 4.7804 8.8021 130.4291 59.7302 39.0757 176.1796 123 R 4.2774 8.8784 127.0810 56.3828 30.2415 175.2677 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 -4 G 8.34 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 0.00 0.00 0.00 -3 P 0.00 4.42 0.00 2.42 2.07 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 -2 H 8.70 4.19 0.00 3.09 3.36 0.00 5.76 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 M 7.49 4.04 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 *17 A 7.79 4.72 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 18 I 8.11 4.70 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 1.28 0.63 0.84 0.00 0.00 19 H 9.11 4.77 0.00 2.95 3.11 0.00 5.60 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.28 4.72 1.79 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 1.26 0.46 0.82 0.00 0.00 21 L 8.79 4.65 0.00 1.14 0.79 0.72 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 9.25 5.08 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 1.11 0.00 0.00 23 E 8.84 3.94 0.00 2.03 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 2.36 2.30 0.00 24 K 7.67 4.01 0.00 1.67 1.88 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.39 7.81 25 E 8.27 4.45 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 2.16 2.25 0.00 26 D 7.49 4.37 0.00 2.68 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 27 H 9.09 4.19 0.00 3.36 3.46 0.00 5.71 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 28 A 8.04 4.42 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 29 T 8.41 4.95 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 1.11 0.00 0.00 30 L 8.88 4.63 0.00 1.63 1.57 0.78 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.87 5.36 0.00 3.02 3.23 0.00 5.89 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.72 4.72 1.95 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 1.22 0.72 0.58 0.00 0.00 33 S 8.92 5.04 0.00 4.09 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 34 F 8.56 4.31 0.00 3.11 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 35 N 7.03 4.43 0.00 2.44 1.85 0.00 0.00 6.08 8.06 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 36 D 7.39 4.78 0.00 2.68 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 37 L 8.71 4.91 0.00 1.68 1.41 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.59 4.80 1.63 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.53 0.66 0.00 0.00 39 K 9.15 4.85 0.00 1.53 1.61 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.30 7.81 40 I 8.95 4.63 1.74 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 1.02 0.47 0.78 0.00 0.00 41 Q 8.69 4.95 0.00 1.77 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.62 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 42 L 8.71 4.71 0.00 0.77 0.68 -0.59 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.75 4.49 0.00 0.76 1.02 0.00 2.95 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.32 0.00 44 T 8.84 4.90 4.72 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 1.46 0.00 0.00 45 N 9.51 5.25 0.00 2.87 2.76 0.00 0.00 7.57 7.72 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 46 P 0.00 4.58 0.00 2.30 2.17 0.00 3.77 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 47 S 7.95 4.27 0.00 4.02 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 48 T 8.02 4.48 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 1.27 0.00 0.00 49 G 8.34 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 50 Y 7.39 4.00 0.00 2.60 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 51 A 8.33 4.82 1.19 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 52 W 9.06 4.97 0.00 3.31 3.24 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 0.00 53 N 9.68 5.23 0.00 2.62 2.71 0.00 0.00 6.23 7.03 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 54 I 8.64 5.10 1.98 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 1.44 1.16 1.01 0.00 0.00 55 E 9.36 4.76 0.00 1.59 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 2.13 2.10 0.00 56 Y 7.63 5.20 0.00 3.15 3.10 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 57 P 0.00 4.50 0.00 2.13 2.08 0.00 3.94 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 58 T 8.32 4.13 4.28 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 1.23 0.00 0.00 59 D 8.77 4.40 0.00 2.86 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 60 T 7.61 4.28 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 0.37 0.00 0.00 61 F 7.97 5.45 0.00 2.19 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 62 S 9.00 4.80 0.00 3.93 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 63 L 8.57 4.84 0.00 1.79 1.74 1.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 64 S 9.07 4.49 0.00 3.90 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 65 Q 7.71 4.68 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 66 D 8.59 5.26 0.00 2.69 2.49 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 67 T 9.04 4.84 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 1.22 0.00 0.00 68 I 8.39 5.23 1.94 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 1.47 1.09 0.96 0.00 0.00 69 K 8.98 4.83 0.00 1.84 1.84 0.00 1.38 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.40 7.81 70 A 8.80 4.20 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 71 E 9.67 3.71 0.00 1.96 1.62 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 2.24 2.15 0.00 *80 F 8.43 4.91 0.00 3.10 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 81 P 0.00 4.62 0.00 2.18 2.35 0.00 3.89 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 82 S 8.36 5.31 0.00 3.97 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 83 I 8.91 5.03 1.88 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 1.09 1.07 0.87 0.00 0.00 84 R 9.39 5.05 0.00 2.05 1.92 0.00 3.35 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 85 E 9.25 5.12 0.00 1.99 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 2.13 2.18 0.00 86 I 8.89 4.93 1.81 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.78 0.91 0.00 0.00 87 Q 9.07 5.04 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 88 L 8.92 5.19 0.00 1.12 1.10 0.11 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.73 4.89 0.00 1.72 1.72 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.38 7.81 90 P 0.00 4.67 0.00 2.13 1.97 0.00 3.69 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 2.08 2.28 0.00 91 L 8.86 4.84 0.00 1.44 1.65 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.66 4.52 0.00 1.74 1.65 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.12 1.35 7.81 93 V 8.75 4.21 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 0.67 0.00 0.00 0.88 0.00 0.00 94 G 7.79 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 95 T 8.06 5.07 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 1.27 0.00 0.00 96 T 9.28 4.80 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 1.29 0.00 0.00 97 T 8.59 5.22 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 1.35 0.00 0.00 98 I 9.12 4.92 2.09 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.93 1.05 0.00 0.00 99 K 9.26 5.04 0.00 1.38 1.62 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.25 7.81 100 L 9.16 5.46 0.00 1.56 1.86 0.89 0.55 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 0.00 101 G 9.36 4.51 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 0.00 0.00 0.00 102 Y 8.50 4.76 0.00 1.43 2.12 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 0.00 103 S 7.96 4.72 0.00 3.66 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 0.00 104 R 7.63 3.92 0.00 0.67 0.66 0.00 2.67 0.00 0.00 2.49 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 105 P 0.00 4.29 0.00 2.21 2.10 0.00 3.07 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.96 0.00 106 W 6.94 4.86 0.00 3.29 3.30 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 0.00 107 E 7.36 4.49 0.00 1.74 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 0.00 2.19 1.47 0.00 108 K 8.18 3.95 0.00 1.77 1.73 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.02 7.81 109 G 8.31 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 0.00 110 K 7.48 4.61 0.00 1.79 1.56 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.28 1.21 7.81 111 E 8.40 4.25 0.00 1.98 1.77 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 2.23 1.91 0.00 112 P 0.00 4.42 0.00 2.14 2.04 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 113 L 8.16 4.17 0.00 1.67 1.82 0.89 0.41 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 0.00 114 R 7.80 4.80 0.00 1.88 1.59 0.00 3.22 0.00 0.00 3.46 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.72 0.00 115 S 8.76 5.38 0.00 3.76 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 0.00 116 L 9.13 4.94 0.00 1.25 0.94 0.54 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.84 4.90 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 1.20 0.00 0.00 118 Y 8.88 5.33 0.00 2.81 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.10 5.20 0.00 3.93 3.74 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 0.00 120 V 9.20 4.76 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 0.80 0.00 0.00 1.00 0.00 0.00 121 V 8.82 4.67 1.97 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 1.03 0.00 0.00 0.85 0.00 0.00 122 I 8.80 4.78 1.85 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.53 1.00 0.00 0.00 123 R 8.88 4.28 0.00 1.88 1.76 0.00 3.15 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.