NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5671 8.2993 120.0963 56.1497 34.5779 175.4426 3 T 4.8486 7.9721 108.9143 58.9490 72.0543 172.1611 4 F 4.7887 10.2900 128.4303 56.7373 42.1379 175.3056 5 I 4.8373 7.8502 126.5318 59.5833 39.8058 174.3367 6 I 5.0135 9.2908 128.2836 59.4192 40.3066 174.6920 7 G 3.9640 9.1970 114.2995 44.3297 0.0000 172.3595 8 I 5.2382 8.6262 124.7877 59.7615 40.6154 174.3371 9 S 5.5728 9.3992 121.4166 54.8307 66.0223 172.2285 10 G 3.6898 8.6321 109.0387 42.7971 0.0000 172.8509 11 V 3.6423 7.6464 120.7884 61.3437 31.5966 175.5536 12 T 3.8405 8.2995 114.8706 63.7300 67.5156 173.2692 13 N 4.3475 8.8574 123.6477 54.4213 35.9184 175.4738 14 S 4.2489 7.6625 113.8270 58.9887 63.7076 174.8277 15 G 4.1942 8.4718 109.8474 45.5444 0.0000 175.5695 16 K 3.9178 8.4328 121.2674 59.6639 31.9994 179.1674 17 T 3.8980 7.8639 115.3443 66.9570 68.5392 176.6967 18 T 3.8332 7.8104 117.1013 66.5746 68.5802 176.4059 19 L 4.0097 8.2203 122.2038 57.9643 42.0908 178.8083 20 A 4.0598 8.1872 120.8408 55.1969 18.3028 179.8209 21 K 3.9639 8.0787 116.9944 59.4554 31.8861 179.3195 22 N 4.0751 8.0399 116.5200 56.3341 38.5286 177.2602 23 L 4.3764 8.1131 120.2018 57.9923 41.5406 179.2381 24 Q 4.0401 8.0252 118.2802 59.5228 29.0532 178.4699 25 K 3.9972 7.9793 117.7255 59.0679 32.1392 177.9769 26 H 4.8765 7.7475 112.7260 54.3382 29.5922 174.0250 27 L 4.8073 7.5383 122.4031 52.3484 42.8808 174.6252 28 P 4.4283 0.0000 0.0000 63.5479 32.6748 175.5117 29 N 4.1935 8.7948 118.2167 55.3729 37.2536 172.6679 30 C 5.5525 8.1252 115.9424 57.8107 34.3800 173.2827 31 S 5.0534 9.6357 121.3901 56.7883 66.6583 173.0652 32 V 4.8608 8.2058 119.8675 61.4630 34.4092 174.2628 33 I 4.6465 8.9188 128.6002 59.6393 40.3446 174.4727 34 S 5.4090 8.5921 122.4723 55.9071 64.4320 175.0546 35 Q 4.0887 9.4743 127.0578 59.2320 28.9894 178.2831 36 D 4.6449 8.1579 116.1241 56.8139 41.0826 176.7198 37 D 4.5379 8.2467 117.3215 55.4643 40.9648 176.6778 38 F 4.7090 7.9209 118.2449 56.9972 39.3856 174.8130 39 F 4.8379 8.2286 120.1627 57.1894 39.1658 175.7349 40 K 4.4275 9.0829 123.7117 55.7053 32.8611 175.1767 41 P 4.4620 0.0000 0.0000 62.6617 32.1157 176.7241 42 E 3.8171 9.2518 122.2823 59.7234 29.4788 179.0532 43 S 4.3382 8.0594 110.6652 59.7937 63.4134 174.2306 44 E 4.4441 8.5529 120.1857 56.7676 30.2769 176.3091 45 I 3.9995 7.1980 119.8834 61.0742 37.8611 175.3323 46 E 4.8555 8.6084 124.0272 54.8244 33.0368 174.7601 47 T 5.3290 8.1732 111.4972 59.7338 71.0277 173.8291 48 D 4.6564 8.9613 126.6474 52.5055 40.3487 177.0344 49 K 3.8076 8.8116 117.9239 60.0956 31.8195 177.7785 50 N 4.4891 8.2520 112.9976 52.8025 38.7008 175.3337 51 G 3.8185 7.8150 104.5326 47.1165 0.0000 175.0393 52 F 5.3879 8.3068 116.6957 55.1653 41.7506 175.7676 53 L 4.6154 8.9332 126.4266 55.1223 41.9701 178.2657 54 Q 4.3224 9.2780 125.4071 55.2521 26.9897 174.7043 55 Y 4.6555 8.2897 116.9588 58.8784 39.8142 176.2306 56 D 5.4403 8.3891 119.7975 53.8853 41.2846 176.3343 57 V 4.5999 7.5269 110.6494 59.4960 36.3823 176.6597 58 L 3.8925 8.6230 122.1194 58.1215 41.5822 179.4779 59 E 4.0636 8.2364 115.9949 58.4106 29.5748 177.1648 60 A 4.5703 8.3008 121.3732 51.9627 19.2723 176.5022 61 L 5.2149 7.6481 115.5956 52.9332 45.6739 176.0161 62 N 4.7122 9.3372 119.4979 52.3948 39.7389 176.2999 *64 E 4.3670 8.5113 118.3114 56.3751 32.0159 177.2409 65 K 4.3059 7.3067 119.5703 56.0240 30.0984 177.1152 *68 S 4.3379 7.8335 115.4495 58.0442 65.0414 175.5376 69 A 4.1628 7.8093 122.1311 55.0772 17.8157 179.6956 70 I 3.7927 7.5697 117.2335 64.5925 37.3389 178.3902 71 S 4.3328 7.9164 114.7689 61.5349 63.0147 175.9641 72 C 4.5037 8.1716 119.6699 62.1739 27.8487 175.5877 73 W 4.0091 8.0453 126.6408 58.2367 30.0652 177.1717 *75 E 4.2244 8.1566 117.9735 55.7964 30.8221 177.7811 76 S 4.2452 7.8185 112.4909 60.0591 63.8138 175.3507 77 A 3.6089 7.5701 125.0204 55.0961 18.0169 179.8092 78 R 4.0749 7.0851 108.4711 57.6045 29.5718 176.5576 79 H 4.8120 8.0357 115.3345 55.1853 29.8391 173.5273 *92 I 3.9746 7.7915 118.6666 60.0784 38.9423 173.4061 93 P 4.8157 0.0000 0.0000 63.1621 32.6203 175.2847 94 I 5.2949 9.5458 124.5987 59.4861 40.9839 174.1150 95 L 4.6750 8.8074 128.1919 53.1141 44.7699 174.8083 96 I 4.8488 8.6316 127.4555 59.7715 39.6472 174.6367 97 I 4.9027 9.1438 129.2789 59.7062 39.3139 174.2815 98 E 5.1298 8.6626 126.2683 54.5305 32.1758 175.4795 99 G 4.3955 8.2908 107.2463 46.0075 0.0000 174.3100 100 F 4.7731 9.6263 116.1998 57.5951 38.6954 175.9395 101 L 3.4333 7.4263 122.6155 52.8193 41.9958 174.3327 102 L 4.6312 7.6773 121.5385 55.7923 44.1257 178.3255 103 F 5.5613 8.2950 114.2956 58.3516 38.7911 175.5220 104 N 4.9765 8.5858 116.7531 52.6250 38.2331 173.9186 105 Y 4.5702 8.0095 121.7573 55.9587 38.4193 175.5432 106 K 4.0280 8.5514 128.1285 59.1995 32.2935 177.7410 107 P 4.1316 0.0000 0.0000 64.7100 31.5147 177.1091 108 L 3.8391 7.7104 117.6657 55.9421 42.3746 178.4052 109 D 3.5288 7.5540 118.5379 57.4419 40.6982 177.9153 110 T 4.2227 7.4063 105.5759 61.5238 68.8669 174.9687 111 I 4.0960 6.9181 124.0455 62.0847 39.3883 176.7030 112 W 4.5504 7.1742 118.9706 57.4562 29.2746 175.1802 113 N 4.7248 8.5592 118.7226 53.9335 40.5701 175.4009 114 R 4.4408 7.4703 117.8467 55.1534 33.9372 173.7792 115 S 4.8849 8.2865 121.5692 56.7701 66.3836 172.4858 116 Y 5.1873 9.3127 121.8127 56.1171 41.8831 174.7001 117 F 4.9459 8.9721 124.1170 56.4406 42.4435 173.6335 118 L 4.7824 8.4698 127.5474 54.7903 42.5263 176.8040 119 T 4.8972 8.8832 119.9335 61.8189 71.7058 172.9762 120 I 4.9798 8.3705 124.9580 58.4105 41.5844 173.0841 121 P 4.6461 0.0000 0.0000 62.5982 32.3442 176.8940 122 Y 3.1045 8.7424 120.1556 60.8114 38.6014 178.1571 123 E 3.5590 8.0430 118.8959 59.3334 29.5955 178.8972 124 E 3.8656 7.9454 118.8348 59.1272 29.7295 178.2625 125 C 4.0620 7.8563 118.7697 62.2588 31.4615 175.4760 126 K 2.4800 7.2135 120.1209 58.6421 31.7138 178.6104 127 R 3.8134 7.4798 118.8857 59.3782 30.0303 178.5560 128 R 3.8477 7.8543 117.8002 59.4352 30.0574 178.7820 129 R 4.0992 7.9537 118.5886 59.7278 29.7313 178.1051 130 S 4.3579 7.4642 112.0596 60.1166 63.3302 175.3681 131 T 4.2460 7.7384 112.4665 61.1719 69.2936 174.1089 132 R 4.2658 7.2420 122.4417 54.3856 31.8830 175.0045 133 V 3.9813 8.0578 125.2492 61.8127 31.4434 174.9960 134 Y 4.1324 8.3293 125.7115 57.0718 39.4073 175.0169 135 Q 4.2921 8.0702 121.7688 54.2674 30.5016 172.3459 136 P 4.3812 0.0000 0.0000 61.8112 32.0169 174.6904 137 P 4.4625 0.0000 0.0000 62.2835 31.8886 176.1752 138 D 3.9693 8.4971 121.4529 54.2848 41.0220 176.9951 139 S 4.4261 8.1069 118.9522 56.8734 64.1014 171.4491 140 P 4.4346 0.0000 0.0000 63.7687 31.3964 176.8577 141 G 4.1054 9.1427 111.0808 47.1857 0.0000 174.9417 142 Y 3.7391 8.1163 123.0905 60.0351 38.5828 177.1365 143 F 3.9830 8.3484 121.1562 61.7030 39.3440 176.7684 144 D 4.0185 8.2977 116.2809 56.7209 40.8485 178.2612 145 G 3.6965 7.8142 105.4223 46.1305 0.0000 173.3862 146 H 4.3322 7.6412 117.4516 57.5219 31.4214 174.5320 147 V 3.5883 6.9468 116.8052 65.8314 31.8493 176.7844 148 W 4.1504 8.7876 130.2560 60.0641 30.8707 177.4135 149 P 4.1803 0.0000 0.0000 63.3039 30.9381 177.5064 *151 Y 4.6516 8.0764 120.1384 57.7278 40.3515 176.9561 152 L 3.5038 7.3516 119.4202 57.6199 41.4602 179.5902 153 K 3.9142 7.8706 119.4089 59.3337 31.8432 178.4099 154 Y 4.3728 7.5945 118.8621 60.7811 38.9661 177.2962 155 R 3.4711 7.7794 118.1451 59.0072 30.0472 178.4381 156 Q 3.9959 7.3142 118.3272 58.4079 29.6289 177.4492 157 E 4.1749 7.5266 119.9874 56.3470 29.0108 177.7942 *159 Q 4.1872 7.9887 117.9449 55.8105 31.0702 176.8360 160 D 4.4268 7.9712 116.1940 55.9123 41.4031 176.7962 161 I 3.1521 7.2574 118.5613 61.8713 37.2527 175.3430 162 T 4.2032 8.3209 114.2096 62.1238 69.9376 174.8583 163 W 4.5354 7.8085 118.5284 55.1463 29.9313 174.4046 164 E 4.2023 8.7284 119.3163 54.8819 29.3866 174.7694 165 V 4.0213 7.8133 126.5409 61.0192 33.4552 175.1166 166 V 4.0312 8.3426 129.0640 61.9356 32.2238 174.4308 167 Y 4.8627 8.7058 126.7933 57.9671 38.5409 175.3836 168 L 4.8511 9.3248 124.4760 53.0930 45.5084 175.4123 169 D 4.8610 8.6312 121.7055 52.8919 41.6583 177.1877 170 G 3.8773 9.4407 116.5003 47.2879 0.0000 173.3065 171 T 4.1652 7.8898 109.2526 62.7726 69.4685 175.1920 172 K 4.1845 7.5144 121.3552 55.9608 32.8886 176.7277 173 S 4.3081 8.3251 112.9912 58.4702 64.0627 174.3971 174 E 3.9879 8.6794 127.6857 59.2527 29.4966 178.9615 175 E 4.1323 8.1117 117.2745 59.2601 30.0101 178.5142 176 D 4.4179 8.0264 119.4023 57.2544 41.0435 178.5749 177 L 4.0221 8.1648 119.5393 57.5727 41.6026 179.3318 178 F 4.1749 7.9568 120.8009 61.3362 39.3751 177.2672 179 L 3.7887 8.3846 119.0874 57.5322 40.8685 179.2399 180 Q 3.9268 8.1684 119.6279 59.2537 29.0034 178.6528 181 V 3.4064 7.5207 118.9674 65.8868 31.6516 177.2398 182 Y 4.0680 8.1067 119.6894 60.6771 38.4465 178.0549 183 E 3.8388 8.1770 119.2938 59.5199 29.3935 178.6637 184 D 4.3534 7.7038 117.2014 57.6134 40.7689 178.4049 185 L 4.0563 8.2599 118.8676 56.9814 41.5304 178.7347 186 I 4.0584 7.0505 118.0612 62.1791 37.4418 176.6099 187 Q 4.6520 7.6925 117.9051 55.9344 28.9527 176.2771 188 E 4.6011 7.4653 119.7217 56.8535 32.7148 177.1143 189 L 3.9310 7.3839 116.9657 56.5533 42.2704 178.8833 190 A 3.9359 8.0164 121.4238 55.3062 18.2420 178.6550 191 K 4.4061 7.9102 112.2489 56.9279 32.0310 177.1389 192 Q 4.2654 7.9245 124.4326 56.1078 28.9824 175.5522 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 K 8.30 4.57 0.00 1.68 1.95 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.47 7.81 3 T 7.97 4.85 4.71 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 1.21 0.00 0.00 4 F 10.29 4.79 0.00 3.17 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 5 I 7.85 4.84 1.94 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.78 0.86 0.00 0.00 6 I 9.29 5.01 2.04 0.00 0.00 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 1.50 0.89 1.20 0.00 0.00 7 G 9.20 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.63 5.24 1.91 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 1.28 1.13 0.94 0.00 0.00 9 S 9.40 5.57 0.00 3.07 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 10 G 8.63 3.69 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 0.00 0.00 0.00 11 V 7.65 3.64 0.70 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 0.66 0.00 0.00 0.69 0.00 0.00 12 T 8.30 3.84 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 1.36 0.00 0.00 13 N 8.86 4.35 0.00 2.94 2.92 0.00 0.00 7.03 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 14 S 7.66 4.25 0.00 3.95 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 15 G 8.47 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 16 K 8.43 3.92 0.00 1.91 1.89 0.00 1.87 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.51 7.81 17 T 7.86 3.90 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 18 T 7.81 3.83 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 1.18 0.00 0.00 19 L 8.22 4.01 0.00 1.77 1.67 0.99 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 20 A 8.19 4.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.08 3.96 0.00 1.77 1.84 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.61 7.81 22 N 8.04 4.08 0.00 2.94 2.13 0.00 0.00 7.00 6.42 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 23 L 8.11 4.38 0.00 1.84 1.91 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.03 4.04 0.00 2.13 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 25 K 7.98 4.00 0.00 1.71 1.59 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.40 1.67 7.81 26 H 7.75 4.88 0.00 3.03 3.35 0.00 5.83 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.54 4.81 0.00 1.94 1.74 1.10 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.43 0.00 2.23 2.11 0.00 4.02 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 2.05 2.00 0.00 29 N 8.79 4.19 0.00 3.02 2.94 0.00 0.00 6.60 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 30 C 8.13 5.55 0.00 3.16 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 31 S 9.64 5.05 0.00 3.85 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 32 V 8.21 4.86 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 0.85 0.00 0.00 1.03 0.00 0.00 33 I 8.92 4.65 1.87 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.80 1.06 0.00 0.00 34 S 8.59 5.41 0.00 4.05 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 35 Q 9.47 4.09 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.24 0.00 36 D 8.16 4.64 0.00 2.85 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 37 D 8.25 4.54 0.00 2.43 2.39 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 38 F 7.92 4.71 0.00 3.08 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 39 F 8.23 4.84 0.00 3.06 3.12 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 40 K 9.08 4.43 0.00 1.73 1.82 0.00 1.86 0.00 0.00 1.96 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.70 1.54 7.81 41 P 0.00 4.46 0.00 2.15 2.22 0.00 3.86 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 2.14 2.01 0.00 42 E 9.25 3.82 0.00 2.08 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 0.00 2.46 2.49 0.00 43 S 8.06 4.34 0.00 4.03 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 44 E 8.55 4.44 0.00 2.12 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 2.29 2.28 0.00 45 I 7.20 4.00 1.74 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 -0.10 0.25 0.00 0.00 46 E 8.61 4.86 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 2.29 2.26 0.00 47 T 8.17 5.33 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 48 D 8.96 4.66 0.00 3.02 3.09 0.00 0.00 0.00 0.00 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7.83 4.34 0.00 3.90 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 69 A 7.81 4.16 1.49 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 70 I 7.57 3.79 1.79 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 1.52 0.43 0.82 0.00 0.00 71 S 7.92 4.33 0.00 3.99 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 72 C 8.17 4.50 0.00 3.25 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 73 W 8.05 4.01 0.00 3.51 3.35 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 *75 E 8.16 4.22 0.00 2.23 2.22 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 2.26 2.69 0.00 76 S 7.82 4.25 0.00 3.96 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 77 A 7.57 3.61 0.50 0.00 0.00 0.00 0.00 0.00 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0.00 139 S 8.11 4.43 0.00 4.10 4.05 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 0.00 140 P 0.00 4.43 0.00 2.16 2.12 0.00 3.87 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 141 G 9.14 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 0.00 142 Y 8.12 3.74 0.00 3.26 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 0.00 143 F 8.35 3.98 0.00 3.18 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 0.00 144 D 8.30 4.02 0.00 2.81 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 0.00 145 G 7.81 3.70 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 0.00 0.00 0.00 146 H 7.64 4.33 0.00 2.06 2.01 0.00 5.97 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 6.95 3.59 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 0.84 0.00 0.00 0.74 0.00 0.00 148 W 8.79 4.15 0.00 2.77 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 0.00 149 P 0.00 4.18 0.00 2.14 2.04 0.00 3.57 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 *151 Y 8.08 4.65 0.00 2.83 2.61 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 0.00 0.00 0.00 0.00 152 L 7.35 3.50 0.00 1.68 1.51 0.97 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 153 K 7.87 3.91 0.00 1.87 1.76 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.42 7.81 154 Y 7.59 4.37 0.00 2.79 3.12 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 0.00 155 R 7.78 3.47 0.00 1.44 1.60 0.00 3.03 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.13 0.00 156 Q 7.31 4.00 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.66 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 157 E 7.53 4.17 0.00 2.14 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 2.35 2.55 0.00 *159 Q 7.99 4.19 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.09 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 160 D 7.97 4.43 0.00 2.62 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 0.00 161 I 7.26 3.15 1.33 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.05 -0.54 0.00 0.00 162 T 8.32 4.20 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 1.24 0.00 0.00 163 W 7.81 4.54 0.00 3.36 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 0.00 164 E 8.73 4.20 0.00 1.93 1.91 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 2.14 2.23 0.00 165 V 7.81 4.02 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 0.06 0.00 0.00 0.03 0.00 0.00 166 V 8.34 4.03 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 1.08 0.00 0.00 0.81 0.00 0.00 167 Y 8.71 4.86 0.00 2.98 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 0.00 168 L 9.32 4.85 0.00 1.65 1.62 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.63 4.86 0.00 2.80 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 0.00 170 G 9.44 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 0.00 171 T 7.89 4.17 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 1.25 0.00 0.00 172 K 7.51 4.18 0.00 2.00 1.87 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.43 7.81 173 S 8.33 4.31 0.00 3.90 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 0.00 174 E 8.68 3.99 0.00 2.07 1.92 0.00 0.00 0.00 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 2.36 0.00 175 E 8.11 4.13 0.00 2.30 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 0.00 2.37 2.43 0.00 176 D 8.03 4.42 0.00 2.94 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 0.00 177 L 8.16 4.02 0.00 1.74 1.73 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 178 F 7.96 4.17 0.00 3.04 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 0.00 179 L 8.38 3.79 0.00 1.84 1.69 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 180 Q 8.17 3.93 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 181 V 7.52 3.41 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 0.44 0.00 0.00 0.47 0.00 0.00 182 Y 8.11 4.07 0.00 2.16 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 0.00 183 E 8.18 3.84 0.00 2.03 1.93 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 2.30 2.64 0.00 184 D 7.70 4.35 0.00 2.94 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 0.00 185 L 8.26 4.06 0.00 2.05 1.63 1.32 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 186 I 7.05 4.06 1.76 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.48 0.76 0.00 0.00 187 Q 7.69 4.65 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 188 E 7.47 4.60 0.00 1.86 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 2.50 2.52 0.00 189 L 7.38 3.93 0.00 1.56 1.54 0.77 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 190 A 8.02 3.94 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 0.00 191 K 7.91 4.41 0.00 1.77 1.85 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.45 7.81 192 Q 7.92 4.27 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.