NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2888 0.0000 0.0000 62.7450 33.7342 178.5022 3 T 3.4424 7.5674 108.9262 64.2608 68.5288 174.8963 4 D 4.2818 8.6792 122.6011 57.2757 41.3204 179.4558 5 D 4.3767 7.9039 118.9399 57.3148 40.9815 178.7771 6 I 3.5765 7.5620 120.6119 64.0469 36.9654 178.4913 7 V 3.5548 7.9526 119.5307 66.1490 31.3716 177.9127 8 Q 3.9352 8.2396 119.2842 58.8405 28.9716 177.6464 9 L 3.9188 8.0757 121.6114 58.4694 42.0768 179.1916 10 L 4.0128 7.8018 118.3243 57.4065 41.5499 179.3413 11 K 4.2729 8.5241 120.2005 59.5502 32.0837 179.0236 12 G 3.7239 8.7011 106.3253 47.9254 0.0000 175.6866 13 Q 4.1256 8.1020 119.9518 58.7987 28.6897 178.3664 14 E 3.8651 8.4286 119.6383 59.7515 29.6514 179.5045 15 E 3.9821 8.4027 118.0042 59.2530 29.4246 179.3685 16 A 4.0200 8.4729 121.1456 54.9204 18.5578 179.2774 17 W 3.8510 8.5741 127.1805 60.8613 30.5354 177.7216 18 N 4.6250 8.5682 114.5315 54.7719 38.0968 176.3935 19 R 4.4971 7.6786 115.6929 55.2849 30.0409 176.4379 20 G 3.4909 7.7448 107.1719 46.5350 0.0000 173.9991 21 D 4.6639 7.8831 121.7356 51.8557 40.2343 176.6337 22 L 3.9922 8.0454 125.3638 57.3088 42.2444 178.7445 23 D 4.5196 8.2710 117.4022 57.3324 41.0458 177.5458 24 A 4.2210 8.4664 121.1094 55.3992 18.6667 179.2832 25 Y 4.2337 8.1290 116.2632 58.0748 38.1336 177.8250 *27 Q 4.6184 8.1714 117.7685 55.1909 30.8721 176.7603 28 G 3.5864 8.0009 105.1232 48.2557 0.0000 173.0751 29 Y 5.4460 7.9116 117.5259 55.7399 40.1019 175.5526 30 W 4.3832 9.3581 133.9361 58.3085 31.2994 176.4638 31 Q 3.5425 8.7179 129.1954 54.2485 27.3302 173.3836 32 N 4.4195 7.3541 119.2111 51.2429 41.7628 174.9274 33 E 4.0090 8.4130 124.6866 58.6076 29.8247 177.6663 34 Q 4.0981 8.3086 116.4886 57.4043 29.2249 175.5827 35 L 4.4812 7.0321 120.2918 55.3158 43.4838 175.1254 *37 L 4.6489 8.2796 117.5686 54.8192 43.3055 176.1174 38 I 4.7691 9.0448 125.2645 59.7479 39.8392 175.6124 39 S 5.6667 8.0713 122.3465 56.1837 65.4159 173.9110 40 N 4.3571 9.0040 116.1457 56.7064 38.2835 175.9255 41 G 4.0849 7.6496 101.4865 45.2942 0.0000 172.6290 42 K 4.4773 7.6568 120.2263 52.6939 35.9175 179.7960 43 F 5.4326 8.3216 117.5878 56.6212 40.8578 175.5725 44 R 4.9868 8.9871 120.5331 54.6076 34.1632 174.1895 45 N 5.2113 8.8246 117.4481 52.0686 40.9335 174.6412 46 G 4.3930 9.0673 107.1755 46.9718 0.0000 174.7195 47 W 3.9632 8.9054 132.1160 60.3792 30.8896 178.1950 48 D 4.5385 8.4506 118.4043 57.6817 40.4287 178.5847 49 E 3.9462 8.1675 118.3991 59.6655 29.4962 179.4905 50 T 3.7077 7.8121 115.7818 66.3704 68.4918 176.4803 51 L 3.8917 7.8084 122.2330 58.1462 42.0207 178.8703 52 A 3.9656 8.1750 120.5144 55.0419 18.3040 179.4578 53 A 3.8558 8.0187 119.1987 55.5967 18.4677 179.5122 54 Y 4.3034 7.9641 115.2358 61.2446 37.6993 178.9978 55 K 4.0433 8.0040 118.6837 59.1385 32.1911 178.9074 56 K 4.0058 7.9648 119.1537 59.7044 32.2306 178.2321 57 N 4.3567 8.0270 114.6941 54.3791 38.5829 175.0850 58 Y 4.7640 7.8384 117.4584 55.3355 38.2984 174.3190 59 P 4.4790 0.0000 0.0000 64.6705 32.2850 177.1209 60 D 4.8833 7.5906 120.6390 52.4643 43.0197 177.8318 61 K 3.7729 8.6907 125.7357 57.6159 31.8333 175.5108 62 E 4.1280 8.0318 116.6422 58.8210 29.4950 178.0423 63 S 4.4189 7.9196 112.5964 59.8894 63.7290 175.5416 64 L 3.1703 7.4154 121.2074 56.2791 41.1829 178.4387 65 G 3.9408 7.8951 103.6399 44.8436 0.0000 171.3956 66 E 4.7359 8.6126 119.6002 54.7785 30.9362 174.3476 67 L 4.9325 9.3514 129.8918 53.3318 43.8821 175.4705 68 K 4.6035 8.7237 126.3867 54.7654 35.7514 174.6064 69 F 5.7132 10.0621 127.0311 56.4647 41.1433 175.6498 70 T 4.6131 9.1060 119.5331 61.7881 70.8860 173.3335 71 I 4.1530 8.4481 128.2829 61.1460 37.3029 176.1156 72 K 4.2015 9.0221 129.3784 58.5800 33.1396 176.5763 73 E 4.7233 7.7687 118.7077 54.9874 33.2310 173.8839 74 I 4.6971 8.3241 126.6283 59.3757 39.9848 174.7849 75 K 4.6548 8.0491 127.5507 55.1305 34.2865 175.7253 *77 L 4.2966 8.5204 114.4118 54.9814 43.6990 176.0665 78 S 4.5846 7.7482 110.6579 57.4400 65.6789 174.3279 79 N 4.4855 8.5755 116.5272 55.3909 38.1288 175.1183 80 Y 4.6401 8.0386 114.3992 57.2535 40.6713 174.9275 81 A 5.3285 8.2537 119.6383 50.8198 23.0217 174.5829 82 A 4.8647 9.1454 126.3611 50.2391 23.7704 175.5815 *84 V 4.1961 8.3892 114.1112 63.8179 33.3588 175.1473 85 V 4.5322 8.4704 127.7371 61.2863 34.5811 174.7140 86 G 3.6261 7.2846 112.7489 45.9554 0.0000 171.8013 87 R 5.2680 8.6056 118.5900 54.0097 33.3277 175.7299 88 W 5.6550 8.6376 118.5560 55.1071 31.6660 174.1600 89 D 5.4247 9.2625 120.3745 52.7620 45.1143 174.3640 90 L 5.2476 9.1852 121.9863 52.8436 45.6097 175.3300 91 K 4.5247 9.2648 125.7641 55.1664 33.7076 175.2113 92 R 4.8207 8.6177 126.4014 53.8616 33.0718 176.1102 93 L 4.0995 8.7676 121.1769 57.9699 41.9620 177.6281 94 K 4.6276 7.7042 113.0476 55.4126 33.8172 174.5828 95 D 4.6095 7.4797 118.2161 53.1894 41.8646 174.7178 96 T 5.5560 7.9033 107.8022 57.9117 67.6319 171.6422 97 P 4.5009 0.0000 0.0000 64.2083 33.0514 175.7943 98 T 4.2330 7.9051 116.4278 60.7387 71.0374 173.1906 99 G 3.4673 6.1522 110.4076 45.8639 0.0000 172.3657 100 V 5.1881 8.2845 112.3943 59.5075 35.6457 175.1613 101 F 5.7381 8.9250 117.0175 55.5934 41.8947 173.5041 102 T 5.2394 9.3153 110.5767 60.1037 71.5912 172.6634 103 L 5.2199 9.3669 125.3106 52.7851 45.3621 175.4434 104 L 4.8947 8.5518 123.7029 53.6831 44.2779 175.2749 105 V 5.0536 8.7277 119.1091 59.8233 34.8646 174.6219 106 E 5.1992 9.3354 122.7295 54.5507 34.2640 174.9350 107 K 3.8727 8.1324 124.9369 55.1726 32.5763 176.0645 108 I 4.2704 8.0407 129.0562 60.3793 39.8992 175.9689 109 D 4.2569 9.1531 125.7626 56.3307 38.0456 173.1358 110 D 4.3484 8.2088 111.6447 55.0475 39.0737 173.7717 111 R 4.6640 7.5091 117.0980 54.1804 33.8922 173.9755 112 W 4.7413 8.7858 125.2701 56.5994 29.8859 176.1002 113 V 4.7808 8.8044 117.3897 59.3302 35.9460 175.0280 114 I 4.4140 8.9199 125.7650 61.5482 37.7603 176.3613 115 T 4.7715 8.7550 117.4832 61.8569 69.9252 173.9787 *117 D 4.5419 7.9566 121.6879 55.1038 42.7581 173.6940 118 H 5.4801 9.5021 128.1568 54.9996 31.3771 173.3334 119 S 5.6274 9.1783 122.9428 56.8981 65.9269 173.7539 120 S 5.3520 9.5443 118.0473 57.0961 67.1992 174.0049 121 D 4.3621 9.5188 119.5896 53.7341 39.3825 175.1901 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 4.29 0.00 1.94 1.92 0.00 3.53 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00 3 T 7.57 3.44 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 1.08 0.00 0.00 4 D 8.68 4.28 0.00 2.68 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 5 D 7.90 4.38 0.00 2.73 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 6 I 7.56 3.58 1.69 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.30 0.75 0.00 0.00 7 V 7.95 3.55 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 1.09 0.00 0.00 0.94 0.00 0.00 8 Q 8.24 3.94 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.52 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 9 L 8.08 3.92 0.00 1.91 1.88 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.80 4.01 0.00 1.77 1.73 0.78 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.52 4.27 0.00 1.93 1.98 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.50 7.81 12 G 8.70 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 0.00 0.00 0.00 13 Q 8.10 4.13 0.00 2.45 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.18 2.38 0.00 14 E 8.43 3.87 0.00 2.25 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 0.00 1.90 2.59 0.00 15 E 8.40 3.98 0.00 2.21 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 2.49 0.00 16 A 8.47 4.02 1.56 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 17 W 8.57 3.85 0.00 3.23 3.11 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 18 N 8.57 4.62 0.00 2.85 2.89 0.00 0.00 6.99 8.42 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 19 R 7.68 4.50 0.00 1.95 2.01 0.00 3.11 0.00 0.00 3.24 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.59 0.00 20 G 7.74 3.49 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 0.00 21 D 7.88 4.66 0.00 2.64 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 22 L 8.05 3.99 0.00 1.59 1.64 0.86 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.27 4.52 0.00 2.86 2.84 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 24 A 8.47 4.22 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.23 0.00 3.20 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 *27 Q 8.17 4.62 0.00 2.40 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.67 2.43 0.00 28 G 8.00 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 7.91 5.45 0.00 3.19 3.13 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 0.00 30 W 9.36 4.38 0.00 3.35 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 31 Q 8.72 3.54 0.00 1.25 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.45 0.00 0.00 0.00 0.00 0.00 1.54 1.16 0.00 32 N 7.35 4.42 0.00 1.44 1.42 0.00 0.00 6.70 7.65 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 33 E 8.41 4.01 0.00 1.86 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 2.25 2.35 0.00 34 Q 8.31 4.10 0.00 1.94 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 35 L 7.03 4.48 0.00 2.03 1.75 1.37 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 *37 L 8.28 4.65 0.00 1.68 1.62 0.78 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 38 I 9.04 4.77 1.74 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.85 0.44 0.00 0.00 39 S 8.07 5.67 0.00 3.99 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 40 N 9.00 4.36 0.00 2.74 2.96 0.00 0.00 6.45 7.65 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 41 G 7.65 4.08 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 0.00 0.00 0.00 42 K 7.66 4.48 0.00 1.63 1.60 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.27 7.81 43 F 8.32 5.43 0.00 3.00 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 44 R 8.99 4.99 0.00 1.87 1.75 0.00 3.22 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.43 0.00 45 N 8.82 5.21 0.00 2.89 2.76 0.00 0.00 6.37 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 46 G 9.07 4.39 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 0.00 47 W 8.91 3.96 0.00 3.46 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 48 D 8.45 4.54 0.00 2.82 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 49 E 8.17 3.95 0.00 2.29 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 0.00 2.39 2.46 0.00 50 T 7.81 3.71 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 1.04 0.00 0.00 51 L 7.81 3.89 0.00 1.06 1.57 0.84 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.18 3.97 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 53 A 8.02 3.86 1.20 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 0.00 0.00 54 Y 7.96 4.30 0.00 3.22 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 55 K 8.00 4.04 0.00 1.93 1.88 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.63 7.81 56 K 7.96 4.01 0.00 1.84 1.99 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.44 7.81 57 N 8.03 4.36 0.00 2.59 2.07 0.00 0.00 6.87 6.87 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 58 Y 7.84 4.76 0.00 3.01 2.69 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 0.00 0.00 0.00 0.00 59 P 0.00 4.48 0.00 2.15 2.17 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 60 D 7.59 4.88 0.00 2.69 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 61 K 8.69 3.77 0.00 1.68 1.83 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.05 7.81 62 E 8.03 4.13 0.00 1.91 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 2.29 2.32 0.00 63 S 7.92 4.42 0.00 4.12 4.04 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 0.00 0.00 0.00 64 L 7.42 3.17 0.00 1.17 0.33 0.17 -1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 65 G 7.90 3.94 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 0.00 0.00 0.00 0.00 66 E 8.61 4.74 0.00 2.15 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 2.25 2.29 0.00 67 L 9.35 4.93 0.00 0.89 1.29 0.39 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.72 4.60 0.00 1.82 1.55 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.47 7.81 69 F 10.06 5.71 0.00 3.05 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 70 T 9.11 4.61 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 1.23 0.00 0.00 71 I 8.45 4.15 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.63 0.93 0.00 0.00 72 K 9.02 4.20 0.00 1.60 1.85 0.00 1.73 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.32 7.81 73 E 7.77 4.72 0.00 1.99 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 2.24 2.30 0.00 74 I 8.32 4.70 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.73 0.76 0.00 0.00 75 K 8.05 4.65 0.00 1.86 1.59 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.39 7.81 *77 L 8.52 4.30 0.00 1.88 1.79 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.75 4.58 0.00 4.13 4.04 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 0.00 0.00 0.00 79 N 8.58 4.49 0.00 1.92 2.21 0.00 0.00 6.60 7.46 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 80 Y 8.04 4.64 0.00 2.89 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 81 A 8.25 5.33 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 82 A 9.15 4.86 1.01 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 *84 V 8.39 4.20 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 0.92 0.00 0.00 0.89 0.00 0.00 85 V 8.47 4.53 1.96 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 0.74 0.00 0.00 0.87 0.00 0.00 86 G 7.28 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 87 R 8.61 5.27 0.00 1.73 1.78 0.00 2.98 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.43 0.00 88 W 8.64 5.65 0.00 3.52 3.59 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 0.00 0.00 0.00 0.00 89 D 9.26 5.42 0.00 2.60 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 90 L 9.19 5.25 0.00 1.77 1.65 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 91 K 9.26 4.52 0.00 1.91 1.71 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.26 7.81 92 R 8.62 4.82 0.00 2.12 1.89 0.00 3.51 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 93 L 8.77 4.10 0.00 1.60 1.73 0.93 0.51 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 94 K 7.70 4.63 0.00 1.75 1.76 0.00 1.85 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.40 7.81 95 D 7.48 4.61 0.00 2.81 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 96 T 7.90 5.56 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 97 P 0.00 4.50 0.00 2.54 2.30 0.00 3.85 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 98 T 7.91 4.23 4.10 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 1.02 0.00 0.00 99 G 6.15 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 5.19 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 0.63 0.00 0.00 0.94 0.00 0.00 101 F 8.93 5.74 0.00 3.13 3.31 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 0.00 102 T 9.32 5.24 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 1.17 0.00 0.00 103 L 9.37 5.22 0.00 1.53 1.64 0.69 0.94 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 0.00 104 L 8.55 4.89 0.00 1.83 1.59 1.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.73 5.05 2.31 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 0.72 0.00 0.00 0.98 0.00 0.00 106 E 9.34 5.20 0.00 1.61 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 2.23 2.20 0.00 107 K 8.13 3.87 0.00 0.79 1.26 0.00 1.41 0.00 0.00 1.21 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.04 0.61 7.81 108 I 8.04 4.27 1.71 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.62 0.89 0.00 0.00 109 D 9.15 4.26 0.00 2.78 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 0.00 110 D 8.21 4.35 0.00 2.74 2.68 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 R 7.51 4.66 0.00 1.84 1.68 0.00 3.12 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 112 W 8.79 4.74 0.00 3.24 3.16 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 0.00 113 V 8.80 4.78 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 0.86 0.00 0.00 0.92 0.00 0.00 114 I 8.92 4.41 1.82 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.65 1.13 0.00 0.00 115 T 8.75 4.77 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 0.82 0.00 0.00 *117 D 7.96 4.54 0.00 3.04 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 0.00 118 H 9.50 5.48 0.00 3.29 3.25 0.00 5.60 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 0.00 119 S 9.18 5.63 0.00 3.83 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 0.00 120 S 9.54 5.35 0.00 4.02 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 0.00 121 D 9.52 4.36 0.00 2.82 2.95 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 * Residues marked with a * may have inaccurate shift predictions.