NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3001 G 3.8860 8.3544 109.7433 45.4313 0.0000 172.1762 3002 S 4.5316 7.9122 113.9016 57.0205 63.5058 171.3687 3003 H 5.3055 8.5524 124.1315 54.0833 34.1396 171.8612 3004 S 5.0585 8.9199 115.8077 56.4996 66.1987 172.2514 3005 L 4.9402 8.8395 124.6700 53.6691 44.4037 174.9889 3006 R 4.9285 8.3246 124.1901 55.3247 34.2267 172.9604 3007 Y 5.1169 8.5937 121.0135 56.1568 42.0210 174.3304 3008 F 5.2578 9.3856 122.7197 56.0096 41.7000 173.7485 3009 Y 5.6636 9.3329 125.4872 56.4186 41.7900 174.5172 3010 T 5.1319 9.2639 119.8367 61.4897 73.7420 172.8848 3011 A 4.9644 8.1729 125.8186 50.8865 22.7672 175.2236 3012 V 4.8239 8.3233 122.2197 59.6587 35.8202 174.1064 3013 S 5.0910 8.3167 118.7635 56.6283 65.5865 172.8762 3014 R 4.6936 8.7828 123.5170 54.3270 31.6603 172.2001 3015 P 4.7768 0.0000 0.0000 63.9883 31.7741 175.8634 3016 G 4.0634 8.7898 112.3896 45.6747 0.0000 171.8779 3017 L 4.4721 7.0583 111.8579 55.2660 42.5025 176.1550 3018 G 4.2099 7.5823 109.1571 45.3326 0.0000 172.2094 3019 E 4.3282 8.1475 119.3992 55.2384 30.1740 175.3183 3020 P 4.9678 0.0000 0.0000 62.8448 32.6957 175.1309 3021 W 5.2891 8.9985 119.2467 55.0545 32.2406 173.2133 3022 F 5.7311 8.5533 113.3584 56.6341 41.3730 173.3007 3023 I 4.6411 8.7296 118.0043 60.4812 41.1698 172.8662 3024 I 5.2643 9.2971 131.2932 59.6488 39.9212 174.8849 3025 V 4.7715 9.2142 126.7002 61.0184 34.9122 174.1558 3026 G 4.3544 8.3810 113.3318 44.6304 0.0000 171.7263 3027 Y 5.5960 8.7332 121.7296 55.3355 41.1101 175.0160 3028 V 4.3914 8.5649 125.4034 62.2888 32.1707 176.7601 3029 D 4.9153 9.1997 132.3750 54.7876 38.2347 175.6405 3030 D 5.2992 7.4435 123.8344 55.0464 41.6462 175.2681 3031 M 4.8311 7.7676 118.8191 53.2741 34.8278 175.4849 3032 Q 3.7708 8.1345 122.7854 56.0985 29.8534 175.9175 3033 V 4.1775 8.3583 113.7423 60.8539 34.5805 174.7508 3034 L 4.5205 7.2613 118.5084 56.6391 43.6178 173.2477 3035 R 4.9793 8.1508 116.5131 55.7625 33.4169 173.5678 3036 F 6.2148 9.2831 126.6447 57.5939 43.4844 173.1603 3037 S 4.0298 7.1572 117.6729 57.1881 65.6792 173.8330 3038 S 3.5446 7.0748 115.4974 59.9987 62.6620 174.2899 3039 K 3.5307 8.3903 124.0433 56.5034 29.5251 172.0370 3040 E 4.4228 7.8637 120.0220 54.7211 31.8633 175.0502 3041 E 3.9630 9.1373 128.8036 59.3447 29.7668 177.0652 3042 T 4.6643 7.4512 105.0118 59.2671 71.4970 171.2466 3043 P 5.4552 0.0000 0.0000 62.5781 31.9968 176.4210 3044 R 4.0465 8.6698 125.0219 56.0403 30.5306 176.2858 3045 M 4.0263 8.3202 124.3373 55.1404 33.2632 175.5811 *3049 A 4.0254 8.6427 123.0899 51.3126 19.4692 175.1868 3050 P 4.2422 0.0000 0.0000 65.3085 31.9325 178.4512 3051 W 4.3440 7.9353 111.2782 57.1596 27.9820 176.0224 3052 L 4.0110 7.2055 119.8127 54.7936 40.5880 176.9494 3053 E 5.0495 7.9801 117.2926 56.6072 34.1628 178.0204 3054 Q 4.4541 8.6468 125.4295 56.1346 30.1453 176.3525 3055 E 4.5251 8.6894 117.6729 56.8699 28.0037 178.6765 3056 E 4.1307 7.7617 120.8697 56.2389 28.7565 176.7870 3057 A 3.7879 7.9663 117.2847 52.8988 17.2573 177.9151 3058 D 4.1991 7.0360 117.3090 54.9555 41.9707 175.5897 3059 D 4.4496 7.4092 120.8832 53.8834 41.0675 176.6880 3060 W 5.0933 7.2592 116.1529 57.0523 28.8697 176.5727 3061 E 4.6019 7.9699 119.5388 58.3802 31.5435 179.3707 3062 Q 4.0296 8.0041 117.3126 59.2609 28.6990 177.7355 3063 Q 4.0378 8.2007 120.7385 59.2327 29.0751 178.0396 3064 T 3.6560 7.8162 110.6447 64.6373 68.8715 176.1118 3065 H 4.0856 7.7801 118.5501 58.9497 28.9115 177.5742 3066 I 3.6245 7.9253 121.7550 64.3432 36.8226 178.7231 3067 V 3.3397 7.7692 119.2204 66.0316 31.2240 178.1178 3068 T 4.0033 7.2212 115.4955 66.4377 68.0376 176.4688 3069 I 4.3412 7.3413 122.5747 63.2064 37.2928 177.6845 3070 Q 3.6408 8.0798 119.5803 59.2696 28.7926 178.7489 3071 G 2.2878 7.4852 106.2489 47.2820 0.0000 175.4086 3072 Q 4.0359 7.4834 120.2749 58.5163 29.0089 177.8116 3073 L 4.8118 7.4697 120.3483 54.8311 41.5306 178.1665 3074 S 4.9927 7.6516 116.7092 59.9785 64.1458 175.1934 3075 E 4.1460 8.1520 123.0014 58.6288 29.3525 177.3706 3076 R 4.2873 8.2120 118.9230 57.5999 30.1387 177.7547 3077 N 4.3540 8.2361 115.8315 56.9295 39.0399 176.7739 3078 L 3.9921 7.9286 121.0360 58.4488 42.1113 178.2895 3079 M 4.1196 7.7024 117.7363 59.2147 32.1917 178.3430 3080 T 3.8916 8.6900 110.0720 64.8255 68.8657 176.2453 3081 L 3.6896 8.3206 122.0253 57.4075 41.5976 179.4358 3082 V 3.7686 8.4936 120.0781 65.9155 31.2873 177.2896 3083 H 3.7618 8.3037 116.5659 60.1865 29.5895 175.7481 3084 F 3.7210 8.1001 121.9117 60.8137 39.3470 175.9320 3085 Y 4.3022 8.1672 116.7342 59.2709 38.2134 176.7720 3086 N 4.3553 8.8044 117.1462 53.3182 37.0326 174.3865 3087 K 4.3371 7.6641 117.5934 57.2312 34.2008 176.6182 3088 S 3.7782 8.7218 121.9058 59.8703 59.8515 173.6121 3089 M 4.1300 7.8644 119.2501 58.3405 32.4424 177.7168 3090 D 4.6377 8.1336 115.3574 55.0846 41.8584 175.0918 3091 D 5.2878 7.5520 118.9511 53.8115 43.7541 174.9674 3092 S 5.3398 8.5395 113.6725 57.2758 64.5895 174.2197 3093 H 5.0091 8.9050 121.7027 54.4645 33.7175 171.9678 3094 T 4.7867 8.9000 113.3760 60.3260 71.2566 172.0376 3095 L 5.0662 8.4522 128.8765 53.4193 44.7467 174.8000 3096 Q 4.8608 8.9372 125.8597 54.0332 30.8818 174.4099 3097 W 4.9993 8.8815 134.2943 55.5562 34.2415 174.5252 3098 L 5.2095 8.7708 126.9803 53.8937 44.5103 174.2785 3099 Q 4.7966 8.4418 127.8976 55.1546 31.9113 175.9269 *3100 D 4.8959 6.5763 120.1653 56.3600 46.7605 171.3859 3101 C 6.0909 7.7590 108.0210 57.6781 40.2392 173.2401 3102 D 5.2288 8.4318 119.6093 52.8350 43.5594 175.2308 3103 V 4.4053 8.2770 124.7954 61.7500 32.3693 175.4086 3104 E 4.4887 8.6777 130.9136 54.0929 29.9236 174.4281 3105 P 4.3680 0.0000 0.0000 65.2593 31.8001 178.1089 3106 D 4.6568 8.0844 115.0050 54.9480 41.0136 176.6880 3107 R 4.3468 7.4799 117.3682 55.6985 33.0096 174.7800 3108 H 3.8989 8.7027 114.9310 56.2157 27.4002 172.7780 3109 L 4.6905 6.8909 121.7671 53.6662 45.2714 177.0405 3110 C 5.2757 8.1289 117.2566 56.5144 44.9717 173.0702 3111 L 4.5352 8.2074 128.5350 52.8102 42.1252 174.9249 3112 W 5.3147 8.5127 133.0135 55.8893 30.2382 175.1186 3113 Y 4.2078 8.3724 125.0120 56.7254 39.3664 174.2889 3114 N 4.9620 7.9379 118.0838 54.2599 39.9129 173.5508 3115 Q 4.6569 8.2424 124.9667 55.4722 31.9309 173.6333 3116 L 5.8463 7.5157 121.3889 55.5622 45.0860 173.5082 3117 A 5.1269 8.0617 127.4020 50.2090 22.5532 173.9222 3118 Y 4.7642 9.4973 122.9071 55.8292 40.8811 175.7328 3119 D 3.9336 8.8352 129.1841 55.4515 38.6197 175.2016 3120 S 3.8188 7.9550 110.1376 58.3574 63.3055 170.1595 3121 E 4.4465 7.7493 123.1033 54.2576 30.1888 174.5839 3122 D 4.7007 8.6075 126.2305 55.1201 41.6602 176.0639 3123 L 4.9103 8.4754 120.0624 52.0585 45.4944 175.0864 3124 P 4.4200 0.0000 0.0000 62.4520 31.4887 175.3820 3125 T 4.3343 8.1881 117.7031 62.1785 68.5449 174.9938 3126 L 3.8069 7.3965 118.7837 56.8854 39.4925 176.6384 3127 S 4.0953 7.8840 118.1181 60.2180 63.7749 174.2480 3128 E 4.0112 7.2967 120.4749 57.8097 28.3542 173.4391 3129 N 4.7926 8.8936 110.1583 53.7051 42.0465 173.0486 3130 P 4.0843 0.0000 0.0000 61.7694 30.2143 178.4792 3131 S 4.6732 8.0709 110.6786 58.8451 66.1306 176.4672 3132 S 4.7928 8.6333 115.5943 58.7296 63.3491 171.4800 3133 C 4.7816 8.0934 114.8795 54.6268 42.9068 174.0069 3134 T 4.2872 8.0829 112.1580 61.5707 68.5733 174.0417 *3158 Q 4.1913 8.2908 125.2637 56.3579 30.6937 174.1603 3159 H 4.7265 7.5939 111.4444 53.7717 29.9566 172.4801 3160 L 4.3542 8.2517 126.1167 54.9426 43.0663 177.5057 3161 E 2.5400 7.3096 118.5608 58.9979 29.2479 178.0344 3162 G 3.6493 7.7744 106.3446 48.1512 0.0000 173.2230 3163 H 4.9761 7.6947 112.8769 53.5446 27.8403 172.9653 3164 C 4.7337 7.9585 121.2559 59.3643 41.9336 174.3850 3165 S 3.9463 8.1027 115.6206 61.6798 62.7973 174.9332 3166 D 4.3261 8.4092 121.5224 57.6824 40.3330 178.4757 3167 V 3.4796 7.8354 118.8585 65.8341 31.4969 178.2081 3168 L 4.3244 7.4443 119.5292 57.9818 42.3855 178.4001 3169 Q 4.2435 8.6428 117.2762 57.5377 28.5723 178.0043 3170 K 4.1211 7.8095 121.0367 58.9235 32.7976 177.6825 3171 Y 4.5937 7.7151 116.9012 61.3699 37.5301 179.0599 3172 L 4.1456 7.8150 118.4990 57.9542 41.9608 178.8583 3173 E 4.1502 7.5723 116.2357 59.6005 29.5717 179.1295 3174 K 4.3017 8.1447 117.2872 58.2444 33.9321 177.8493 3175 G 4.3344 8.0444 107.9524 43.8119 0.0000 173.1333 3176 K 4.5745 8.1060 118.7499 57.0323 33.2263 178.0741 3177 E 4.2051 8.3709 119.1248 58.6828 29.7693 177.6684 3178 R 4.2682 7.8720 114.4806 57.5645 32.4786 176.7898 3179 L 4.2491 7.5925 115.3199 58.1369 42.2189 178.7449 3180 L 4.4887 7.7138 117.5934 54.3854 40.8799 177.6255 3181 R 4.5043 7.7465 117.2750 54.4627 33.2007 173.6829 3182 S 4.7102 8.7751 119.7444 56.6699 63.8427 171.7403 3183 D 5.5066 8.9358 128.5222 51.9752 43.0363 174.5081 3184 P 5.0870 0.0000 0.0000 61.5877 33.0778 173.9078 3185 P 5.6886 0.0000 0.0000 61.8945 32.8624 175.9607 3186 K 4.6230 8.7653 119.2868 54.8312 34.8743 175.4107 3187 A 5.4767 8.9295 127.1648 50.7475 20.6723 175.9900 3188 H 4.8413 8.6101 114.7069 54.6301 31.8137 172.6729 3189 V 5.1580 8.6567 122.4681 61.9071 33.4191 174.7425 3190 T 5.4247 9.8750 116.7866 60.0548 72.2452 172.6421 3191 R 4.6815 9.2460 123.0802 55.0067 32.1316 174.1517 3192 H 5.1686 8.2833 123.1587 52.6350 31.5668 173.5396 3193 P 4.5899 0.0000 0.0000 61.1029 30.3855 176.8149 3194 R 3.6776 7.6642 116.6679 57.0764 30.2218 173.1577 3195 P 4.0638 0.0000 0.0000 65.9754 32.0427 175.8889 3196 E 3.8336 8.5902 115.9977 58.2891 30.1115 177.7695 3197 G 4.1640 7.1824 116.2833 44.0502 0.0000 172.2356 3198 D 4.2976 7.8567 119.4443 55.0088 47.3800 175.0396 3199 V 4.8221 6.8298 107.6354 60.2292 36.6213 175.6044 3200 T 4.5370 8.4628 121.2963 61.1289 66.7936 173.8819 3201 L 4.1383 7.4180 121.4454 55.5021 42.8435 177.1637 3202 R 4.7970 9.2980 125.1694 54.6697 33.0168 173.9202 3203 C 5.6244 9.4852 123.6742 54.7766 48.2902 172.8005 3204 W 5.3404 9.4016 124.9643 55.1306 31.0415 174.5390 3205 A 5.3677 8.7039 121.8948 50.9676 22.5385 175.4056 3206 L 4.6737 8.8570 120.6339 53.8486 47.1174 176.8685 3207 G 3.8935 7.8148 103.2657 46.2585 0.0000 173.6357 3208 F 5.0738 6.6596 114.7439 55.7075 41.1330 173.8515 3209 Y 5.0961 8.6524 116.1474 56.3327 41.6381 171.9312 3210 P 3.9804 0.0000 0.0000 61.7928 32.4141 177.0973 3211 A 4.0709 8.4198 124.6112 55.1805 18.2777 178.5831 3212 D 4.2929 7.0317 115.1288 54.7641 41.6951 175.0037 3213 I 4.1257 7.5841 123.6990 60.6738 41.3336 173.8217 3214 T 4.3339 8.3387 123.2795 61.7710 69.9779 172.8689 3215 L 4.5870 8.3381 129.0225 53.4009 43.0964 175.1266 3216 T 4.8464 8.3510 116.0869 59.9972 72.9073 173.0114 3217 W 5.0076 8.3121 121.7366 56.1170 32.6584 174.9742 3218 Q 5.1900 8.8478 117.0897 57.1222 33.6862 174.3336 3219 K 4.2450 8.3573 127.4474 54.3407 34.5711 173.5293 3220 D 4.4425 9.1153 124.3041 53.2894 39.0340 174.2586 3221 G 4.2392 7.4809 105.9336 43.3426 0.0000 172.6460 3222 E 4.9993 7.6441 123.1072 55.8227 32.4554 175.6998 3223 E 4.3084 8.1665 123.0193 56.6316 30.2568 176.7116 3224 L 4.4580 8.2473 116.3135 54.4702 42.9877 173.1686 3225 T 3.8068 8.0623 110.1479 61.0697 68.6407 172.9584 *3228 V 4.1149 7.3630 126.3975 63.7915 31.8282 173.6340 3229 E 4.3700 9.3989 128.6363 56.4448 31.2866 175.5985 *3230 F 4.6974 8.1371 123.8633 56.1511 42.6126 173.4540 3231 V 4.1829 6.7041 108.1574 60.2475 34.5150 176.4603 3232 E 3.9030 8.6256 123.7775 56.1899 30.0022 176.6441 3233 T 4.2369 8.4473 117.1523 63.1486 67.7196 173.2402 3234 R 4.9716 9.3902 125.9914 53.5421 32.9546 173.9755 3235 P 4.6044 0.0000 0.0000 62.9375 32.2008 175.1304 3236 A 4.3865 8.5273 118.9530 54.6131 20.4897 176.1944 3237 G 3.3582 7.3561 103.5425 45.1075 0.0000 173.5069 3238 D 4.6462 7.7395 118.4202 51.9881 41.0631 175.9658 3239 G 3.5196 7.5995 107.9399 45.0531 0.0000 173.0434 3240 T 4.8337 7.5640 109.7036 59.6784 72.4363 172.4792 3241 F 4.9315 8.6604 120.5053 55.7489 42.8551 174.0290 3242 Q 4.7804 9.9233 120.8654 54.2374 33.2343 173.5561 3243 K 4.8403 7.4464 125.2144 55.9926 36.5213 173.2748 3244 W 5.2380 7.2854 122.3992 54.5369 32.2473 173.8082 3245 A 4.8613 9.0693 121.5931 50.7699 22.0426 175.1540 3246 A 5.3203 8.9677 125.5400 50.7083 22.5335 175.0185 3247 V 4.5366 7.5614 114.4347 61.2077 40.3000 176.7893 3248 V 4.8133 8.0340 121.9073 62.8967 32.3030 170.9295 3249 V 3.3464 7.4119 125.9651 60.3460 33.1645 173.5383 3250 P 5.0788 0.0000 0.0000 61.7723 31.8702 175.4471 3251 L 4.0410 8.2341 123.6777 56.4588 42.3430 177.3565 3252 G 3.9531 8.9910 113.6638 45.6091 0.0000 173.5096 3253 K 4.6725 7.9287 116.7425 54.5975 33.7479 177.9081 3254 V 3.4069 7.9491 120.1456 66.1302 31.2646 177.7162 3255 Q 4.2084 8.0228 118.2772 58.5638 29.2248 176.8439 3256 S 4.4072 8.8019 114.1622 60.5487 63.0839 173.0726 3257 Y 5.2674 7.9197 117.9179 56.4445 40.5859 174.9321 3258 T 5.0088 9.1401 110.8766 60.2674 72.9571 171.9691 3259 C 4.5181 8.9688 121.6503 55.0538 42.6271 172.6620 3260 H 5.3912 8.3826 123.4266 54.5222 29.5899 175.4069 3261 V 4.5477 7.9576 120.4287 62.3842 34.2689 172.7814 3262 D 5.0279 8.5088 128.5161 53.6235 43.1834 175.2459 3263 H 4.4292 8.4300 117.9876 55.6449 32.7665 173.6894 3264 E 3.7091 8.8581 123.8793 59.8417 29.3262 178.7130 3265 G 4.1906 7.6328 105.4551 46.6107 0.0000 173.6993 3266 L 4.3425 7.8730 121.5356 53.0217 40.3812 175.6962 3267 P 4.5128 0.0000 0.0000 64.1575 31.7368 176.7542 3268 E 4.7300 7.2580 116.3300 53.2119 32.5834 175.3845 3269 P 4.5527 0.0000 0.0000 62.9353 31.9760 175.8127 3270 L 4.2573 7.7359 123.0120 55.7934 44.2628 175.3689 3271 T 4.8908 7.9829 123.2227 61.8298 70.6717 173.9344 3272 L 4.3362 7.6272 122.7798 56.0462 44.2621 173.2285 3273 R 4.6215 8.1944 117.5873 54.7036 32.8637 175.8848 3274 W 4.4476 9.1650 130.4655 59.8100 28.9011 171.9464 *3275 E 3.6069 9.3222 129.5623 55.7380 29.6419 172.3301 *3276 P 4.5669 0.0000 0.0000 61.6377 30.7249 170.7128 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 3001 G 8.35 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 0.00 0.00 0.00 3002 S 7.91 4.53 0.00 3.99 3.82 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 3003 H 8.55 5.31 0.00 3.17 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3004 S 8.92 5.06 0.00 3.91 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 0.00 3005 L 8.84 4.94 0.00 1.94 1.71 1.17 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 3006 R 8.32 4.93 0.00 1.81 1.32 0.00 2.89 0.00 0.00 3.03 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.20 0.00 3007 Y 8.59 5.12 0.00 2.99 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 3008 F 9.39 5.26 0.00 3.14 3.04 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 3009 Y 9.33 5.66 0.00 3.00 3.06 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 3010 T 9.26 5.13 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 3011 A 8.17 4.96 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 3012 V 8.32 4.82 0.67 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 1.04 0.00 0.00 0.37 0.00 0.00 3013 S 8.32 5.09 0.00 3.98 3.99 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 3014 R 8.78 4.69 0.00 1.97 2.02 0.00 3.45 0.00 0.00 3.81 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.32 0.00 3015 P 0.00 4.78 0.00 2.08 2.10 0.00 3.90 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 3016 G 8.79 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 0.00 0.00 0.00 3017 L 7.06 4.47 0.00 1.72 1.72 0.95 0.50 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 3018 G 7.58 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 0.00 0.00 0.00 0.00 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0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 3036 F 9.28 6.21 0.00 3.16 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 0.00 3037 S 7.16 4.03 0.00 3.66 3.65 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 3038 S 7.07 3.54 0.00 3.84 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 3039 K 8.39 3.53 0.00 1.75 1.70 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.31 7.81 3040 E 7.86 4.42 0.00 1.87 1.64 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 2.51 2.30 0.00 3041 E 9.14 3.96 0.00 1.98 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 2.33 2.42 0.00 3042 T 7.45 4.66 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 3043 P 0.00 5.46 0.00 1.87 2.17 0.00 3.61 0.00 0.00 4.08 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 3209 Y 8.65 5.10 0.00 3.21 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 0.00 3210 P 0.00 3.98 0.00 1.86 1.65 0.00 3.46 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.30 0.00 3211 A 8.42 4.07 0.35 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 3212 D 7.03 4.29 0.00 2.69 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 3213 I 7.58 4.13 1.16 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.06 0.65 0.00 0.00 3214 T 8.34 4.33 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 1.17 0.00 0.00 3215 L 8.34 4.59 0.00 1.53 1.53 0.91 1.01 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 3216 T 8.35 4.85 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 1.20 0.00 0.00 3217 W 8.31 5.01 0.00 3.24 3.32 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 3218 Q 8.85 5.19 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.04 0.00 3219 K 8.36 4.25 0.00 1.40 1.65 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 0.99 7.81 3220 D 9.12 4.44 0.00 2.75 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 3221 G 7.48 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 0.00 0.00 0.00 0.00 3222 E 7.64 5.00 0.00 2.06 1.78 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 2.11 2.13 0.00 3223 E 8.17 4.31 0.00 1.99 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 2.33 2.34 0.00 3224 L 8.25 4.46 0.00 1.61 1.63 0.93 0.96 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 3225 T 8.06 3.81 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 1.23 0.00 0.00 *3228 V 7.36 4.11 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 0.82 0.00 0.00 1.06 0.00 0.00 3229 E 9.40 4.37 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 2.67 2.39 0.00 *3230 F 8.14 4.70 0.00 2.05 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 0.00 0.00 0.00 3231 V 6.70 4.18 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 0.34 0.00 0.00 -0.28 0.00 0.00 3232 E 8.63 3.90 0.00 1.89 1.83 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 2.24 2.19 0.00 3233 T 8.45 4.24 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 1.17 0.00 0.00 3234 R 9.39 4.97 0.00 1.98 2.06 0.00 3.02 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.85 0.00 3235 P 0.00 4.60 0.00 1.97 2.04 0.00 3.77 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 1.99 2.01 0.00 3236 A 8.53 4.39 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 3237 G 7.36 3.36 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 0.00 3238 D 7.74 4.65 0.00 2.63 2.65 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 3239 G 7.60 3.52 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 0.00 0.00 0.00 0.00 3240 T 7.56 4.83 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 1.21 0.00 0.00 3241 F 8.66 4.93 0.00 2.97 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 3242 Q 9.92 4.78 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.04 0.00 0.00 0.00 0.00 0.00 2.57 2.37 0.00 3243 K 7.45 4.84 0.00 2.01 1.76 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.99 1.16 7.81 3244 W 7.29 5.24 0.00 2.72 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 3245 A 9.07 4.86 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 3246 A 8.97 5.32 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 3247 V 7.56 4.54 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 0.67 0.00 0.00 0.26 0.00 0.00 3248 V 8.03 4.81 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 0.64 0.00 0.00 0.84 0.00 0.00 3249 V 7.41 3.35 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 0.23 0.00 0.00 -0.27 0.00 0.00 3250 P 0.00 5.08 0.00 2.21 1.96 0.00 3.65 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.07 0.00 3251 L 8.23 4.04 0.00 1.53 1.53 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 3252 G 8.99 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 3253 K 7.93 4.67 0.00 1.94 1.94 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.41 7.81 3254 V 7.95 3.41 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 0.82 0.00 0.00 0.71 0.00 0.00 3255 Q 8.02 4.21 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 3256 S 8.80 4.41 0.00 4.27 3.99 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 3257 Y 7.92 5.27 0.00 2.86 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 3258 T 9.14 5.01 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 1.32 0.00 0.00 3259 C 8.97 4.52 0.00 1.23 2.25 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 3260 H 8.38 5.39 0.00 3.06 3.14 0.00 5.70 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3261 V 7.96 4.55 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 0.85 0.00 0.00 0.85 0.00 0.00 3262 D 8.51 5.03 0.00 2.69 2.51 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 3263 H 8.43 4.43 0.00 3.00 3.00 0.00 5.90 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3264 E 8.86 3.71 0.00 1.68 1.64 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 2.20 2.32 0.00 3265 G 7.63 4.19 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 0.00 3266 L 7.87 4.34 0.00 2.00 1.79 0.95 1.12 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 3267 P 0.00 4.51 0.00 2.04 2.11 0.00 3.63 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 3268 E 7.26 4.73 0.00 1.88 1.76 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 2.19 2.22 0.00 3269 P 0.00 4.55 0.00 2.06 2.14 0.00 3.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 3270 L 7.74 4.26 0.00 1.98 1.45 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 3271 T 7.98 4.89 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 1.07 0.00 0.00 3272 L 7.63 4.34 0.00 1.69 1.68 0.95 0.69 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 3273 R 8.19 4.62 0.00 1.89 2.08 0.00 3.32 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 3274 W 9.17 4.45 0.00 3.22 3.29 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 *3275 E 9.32 3.61 0.00 2.19 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 2.12 1.85 0.00 *3276 P 0.00 4.57 0.00 2.26 1.95 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.