NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.8935 8.0700 122.8899 51.7980 20.8352 178.5397 3 R 3.5307 7.2383 115.8767 56.6193 30.0876 175.2976 4 W 4.7966 6.9492 111.6850 56.1407 29.9744 175.9986 5 D 4.7891 7.4900 116.7276 53.2342 42.5832 173.9320 6 P 4.3020 0.0000 0.0000 64.8670 31.9400 179.0361 7 G 3.7820 8.0366 103.9082 44.9892 0.0000 174.7830 8 A 3.8293 7.9077 123.4083 55.5155 18.1672 179.0325 9 E 3.4656 7.6974 116.2459 59.3233 29.6460 178.7385 10 Q 3.9348 7.9223 118.8616 59.4124 29.1550 178.3766 11 R 3.8768 8.2556 119.3582 59.0348 29.9270 179.1512 12 L 3.9082 7.8992 118.9798 57.7559 41.7767 179.6570 13 K 3.7838 8.3075 118.8485 59.3056 31.9592 179.5022 14 R 3.8222 8.2978 119.0879 59.2324 29.9838 178.2783 15 A 3.8983 8.3126 120.8259 55.0426 18.3369 179.3009 16 A 3.3264 8.0275 119.4239 55.2541 18.4328 179.8139 17 L 4.0035 7.5427 116.8224 58.0097 41.6449 179.8002 18 E 3.9509 8.1927 118.4068 59.3875 29.3485 179.4231 19 L 4.0324 8.1277 119.4391 58.0863 41.4652 179.2426 20 Y 4.5842 8.0619 115.9946 60.9024 37.7774 178.6181 21 S 4.3655 7.8481 115.6501 62.2181 63.2662 175.6330 22 E 3.8483 8.8504 119.8130 61.4597 29.4538 182.0906 23 H 4.6702 8.2623 127.9765 56.0845 29.5297 175.1426 24 G 4.3301 8.4632 112.4888 44.3721 0.0000 172.4628 25 Y 3.6944 8.8107 120.6722 60.7264 38.5252 178.4635 26 D 4.3314 8.1568 116.3806 56.2328 41.0325 176.4887 27 N 4.7721 8.1806 115.6055 52.6927 39.1390 174.6725 28 V 4.5277 7.2919 118.4509 60.9572 34.2436 175.1350 29 T 4.6255 8.6234 116.0526 59.5649 72.7309 175.8201 30 V 3.1085 7.9185 114.3296 64.4277 31.2297 179.0475 31 T 3.8087 7.5927 115.3348 66.5596 68.3615 176.2134 32 D 4.3004 7.6869 120.5274 57.4127 40.3865 178.9857 33 I 3.6236 7.5954 119.8662 64.1163 37.0632 178.3363 34 A 4.0956 8.3673 121.9944 55.4016 18.2101 179.5906 35 E 4.0852 8.2686 118.5065 59.0445 29.3202 179.6219 36 R 3.8605 7.9832 117.3574 58.4438 30.1656 177.3197 37 A 4.5335 7.4063 117.8073 51.2790 19.2849 177.4201 38 G 3.8432 8.1558 105.8165 45.7716 0.0000 173.3755 39 L 4.8621 8.3481 119.3171 52.4374 45.0217 175.9918 40 T 4.5623 8.0400 110.5185 60.5458 71.5321 175.5883 41 R 3.8294 8.5032 121.2381 59.7178 30.3872 178.0751 42 R 4.3509 8.1090 117.8467 59.7794 30.1671 178.4873 43 S 4.3683 7.9857 113.8611 61.5848 62.6499 175.7800 44 Y 4.1612 7.8515 122.5252 60.8635 38.3164 178.3031 45 F 5.5489 7.3876 113.8866 58.8866 39.0938 176.1975 46 R 4.0491 8.0445 120.7877 57.9002 30.3485 176.4736 47 Y 3.9976 8.0956 114.4573 58.8673 39.1908 175.8805 48 F 5.0228 7.4277 117.1431 54.8859 42.7126 174.2492 49 P 4.7566 0.0000 0.0000 65.1371 31.8783 175.2083 50 D 5.0436 8.0471 116.9915 51.6950 42.3319 175.3322 51 K 4.5564 8.6714 115.9740 57.6687 33.2837 178.2563 52 R 4.5279 8.2334 120.1340 59.2849 30.3688 177.8605 53 E 4.4767 9.3213 118.5526 58.8064 29.2449 179.3128 54 V 2.0000 7.7592 117.9714 63.2221 31.5154 177.2045 55 L 4.2161 7.7066 118.0976 55.4264 42.0837 177.4242 56 F 4.7353 7.2713 116.6586 59.9963 40.9039 179.2154 57 G 3.9298 8.7312 104.9378 46.8412 0.0000 175.4978 58 G 4.2834 8.0348 106.7684 44.4705 0.0000 172.7028 59 S 4.7821 8.5842 115.3440 57.5806 63.7043 173.3573 60 E 4.7351 8.0165 116.6601 54.8917 32.8036 173.6370 61 L 4.5797 8.1672 118.1225 52.9124 43.7351 176.8558 62 L 4.3549 8.2383 123.7774 53.0065 43.1801 175.7587 63 P 4.1942 0.0000 0.0000 65.8531 30.9539 176.7420 64 P 4.2372 0.0000 0.0000 65.0289 31.2276 178.4255 65 A 3.9284 7.8488 119.0920 55.1203 18.3982 179.7079 66 V 3.4393 7.8354 116.5513 65.8708 31.5352 177.9792 67 A 3.9405 8.3659 120.9146 55.4348 18.2559 179.7796 68 R 3.8260 8.2211 116.4477 59.4619 29.8964 179.2522 69 A 4.0349 7.8122 119.5776 54.8838 18.4612 179.5689 70 V 3.6972 7.7360 117.1582 66.0679 31.3963 178.3361 71 L 3.9852 7.9965 117.7958 57.3639 41.5328 178.6598 72 A 4.2008 7.8534 118.7302 52.5236 18.8974 177.6715 73 A 4.0654 6.8802 120.3207 51.3841 19.2685 176.9078 74 D 4.3579 8.5485 119.7184 53.8899 41.3338 175.5974 75 P 4.4142 0.0000 0.0000 64.3075 31.4510 177.3094 76 G 3.7604 8.4334 106.9238 46.6020 0.0000 174.6240 77 A 4.1161 7.8455 122.4269 51.4682 19.1276 177.6794 78 A 4.1505 8.4035 122.6164 51.1815 20.1973 176.9878 79 P 4.1569 0.0000 0.0000 66.3111 30.9635 178.6877 80 L 3.9575 7.8644 119.3821 58.0826 42.0159 178.9155 81 T 3.8728 7.8967 115.0360 66.4514 68.4803 176.3497 82 A 3.9760 8.2085 122.8636 55.1065 18.1931 179.9232 83 V 3.5036 7.6940 115.4445 66.2680 31.7755 177.9584 84 L 4.2634 8.0166 117.5928 57.9460 41.6356 179.0029 85 D 4.6157 8.5513 119.0080 57.0944 40.7103 179.0599 86 A 4.2209 7.8245 118.1052 52.9585 18.1069 179.2704 *88 S 4.5810 8.0171 118.7442 60.2739 64.7219 176.2961 89 Q 3.9607 8.4612 121.4440 59.0939 28.9602 178.4710 90 V 3.6109 7.9101 116.7142 65.0802 31.8764 176.6080 91 G 3.9353 7.6203 106.8248 45.0508 0.0000 174.9869 92 A 3.9412 7.5545 123.9063 55.3191 18.7971 180.2390 93 Q 4.0540 8.2140 113.9511 59.2179 28.7695 178.1311 94 L 3.8825 7.7843 117.3353 58.7978 42.0576 179.2149 95 V 2.6944 7.3739 110.9920 61.6716 31.5925 176.9553 96 A 4.5136 7.7524 121.0064 53.3607 20.8455 177.5280 97 Q 4.7716 7.8964 115.9916 54.1503 30.5125 177.0940 98 V 3.4888 8.4611 116.4956 62.3807 31.6957 175.1333 99 E 3.9977 7.6200 121.7830 57.8965 29.3645 177.1020 100 G 4.0259 8.9580 115.0222 45.3399 0.0000 174.3394 101 A 4.0752 8.0404 121.9105 55.3700 18.3685 179.5487 102 A 3.9020 7.8570 118.6486 55.2232 18.2903 179.6145 103 Q 3.9203 8.0006 116.0429 59.1632 28.9280 178.7438 104 R 3.9044 8.0351 119.5448 59.5584 29.9931 178.3262 105 R 3.9088 8.0306 118.0677 59.4853 29.9442 178.2796 106 A 3.9656 8.1383 120.4982 55.1611 18.1430 179.8233 107 V 3.5297 7.6089 115.7227 66.1381 31.9044 178.1047 108 I 3.7711 7.8008 119.5387 64.5281 36.7821 178.2450 109 D 4.4291 8.2374 118.2928 56.7076 40.6881 177.8125 110 A 4.4635 7.5201 119.3464 51.4494 19.3097 176.7522 111 S 4.5273 7.4431 113.1615 54.8993 64.6339 172.8026 112 P 4.2736 0.0000 0.0000 66.0509 30.9068 178.0956 113 E 4.1202 8.0402 118.5689 59.0627 29.6128 178.6306 114 L 4.1049 7.5922 119.0512 57.5691 41.6606 179.4186 115 Q 4.0294 8.1444 118.0974 59.1718 28.7458 178.7168 116 E 3.9824 8.2025 119.5148 59.3284 29.0016 179.2982 117 R 3.7506 7.8895 118.8275 59.3900 29.9658 178.2708 118 E 3.8783 8.2989 119.0629 59.2897 29.6301 178.8376 119 R 3.9226 8.0443 118.1280 59.7101 30.2395 179.1654 120 T 3.8279 7.9709 115.3987 66.4106 68.3556 176.9525 121 K 3.9143 7.5465 119.8626 59.5898 32.0364 179.5812 122 S 4.0991 8.3671 115.5233 61.5104 62.6497 176.6753 123 A 3.9415 8.3248 123.5249 55.1439 18.1291 179.5967 124 A 3.9167 7.8918 118.8407 55.1478 18.3476 180.0677 125 I 3.5992 7.7142 118.5196 64.5257 37.2465 178.4318 126 S 4.0444 8.2305 114.2412 61.4861 62.2544 176.2703 127 R 3.8844 8.2562 121.2581 59.3035 29.9450 178.3784 128 A 3.9947 8.0010 120.7501 55.0339 18.2695 179.8280 129 V 3.5492 7.9832 116.9784 66.0142 31.5047 178.2987 130 Q 3.9661 8.1356 117.8460 59.1989 28.6359 178.5608 131 D 4.3210 8.0316 119.3801 57.2643 40.5800 178.8439 132 A 3.9699 7.6861 120.0110 55.0230 18.6295 179.2765 133 L 4.0640 8.0840 117.6943 58.0674 41.7270 179.9550 134 V 4.0883 7.8879 119.4921 65.5833 31.2669 178.0445 135 R 4.1625 7.8849 116.0003 57.8994 29.8179 177.9716 136 R 4.5437 7.6469 117.3212 55.6113 30.8930 176.1383 137 Q 3.6473 7.8129 115.2961 56.7117 26.8139 173.2469 138 V 4.1622 7.4444 118.3746 61.1420 32.8879 175.1050 139 D 4.6002 8.5803 126.9988 53.1830 41.1310 176.8094 140 A 3.9465 8.6845 124.4037 55.9825 17.9898 179.8908 141 D 4.3231 8.1013 116.3571 57.9445 40.8902 179.2104 142 T 3.9239 8.2805 115.9899 66.4214 68.4736 176.7217 143 A 3.9916 8.5404 123.1633 55.1183 18.3507 179.3471 144 E 3.8609 8.3544 117.7864 59.4729 29.6720 179.1159 145 L 4.0185 7.6422 118.7372 57.7014 41.5907 179.6818 146 V 3.5636 8.0222 118.0907 65.8389 31.4714 178.0170 147 A 3.9609 8.0023 120.5304 55.3235 18.2893 179.6757 148 Q 3.9483 8.1287 116.6165 58.9383 28.6940 178.7621 149 L 3.9633 8.3001 121.4767 58.1236 42.1071 178.8740 150 A 4.0615 8.2747 120.8873 55.4518 18.3033 179.6915 151 T 3.8575 8.0982 114.2813 66.7839 68.5402 177.0520 152 V 3.6236 8.0010 119.8298 65.9110 31.6098 177.9531 153 A 4.0147 8.3975 120.9083 55.2054 18.2155 179.4435 154 F 4.1613 8.8757 119.8243 61.3130 39.5014 177.6091 155 G 3.8035 8.4599 105.4745 48.0644 0.0000 175.9013 156 S 4.2150 8.3114 117.6660 61.1998 62.8462 176.6356 157 A 3.9380 8.1818 123.5014 55.0488 18.0493 179.3961 158 F 4.4536 8.6411 119.3330 61.5604 39.5191 177.2311 159 R 3.9066 8.2827 118.2951 59.6662 29.9478 178.6638 160 R 3.9419 8.2478 117.8457 58.9404 28.7245 178.7347 161 W 4.1863 8.6454 128.5961 60.5621 30.6970 178.0970 162 I 3.2141 7.7309 119.6041 64.4160 36.3491 178.2714 163 D 4.3282 7.8515 117.8432 56.7593 40.8574 177.8060 164 A 4.1743 7.8228 119.6034 51.5482 18.3712 177.1700 165 E 3.5563 8.8109 115.6925 56.8911 27.7622 176.1304 166 G 3.7139 7.0505 103.7789 45.6606 0.0000 175.3583 167 H 4.3205 8.0548 115.7018 56.3697 29.1034 175.1259 168 A 4.7962 7.2287 122.7926 49.4477 21.7450 176.2441 169 D 4.8598 8.5410 121.9571 52.9237 41.9753 177.4373 170 F 4.2718 9.0908 123.2766 61.5178 39.1592 177.6943 171 G 3.5902 8.2159 104.8248 47.9920 0.0000 175.6541 172 S 4.0916 8.3235 117.7379 61.4086 62.8546 176.5451 173 C 4.0734 7.7669 119.3363 62.7209 27.8104 176.0283 174 L 3.6950 7.5384 121.8683 57.9459 41.5462 178.7029 175 D 4.2971 8.0994 119.1075 57.6893 40.7826 178.9203 176 T 3.8227 8.1933 116.5899 66.5819 68.3967 176.9777 177 V 3.5877 7.8288 120.3751 66.2088 31.6089 178.2549 178 T 3.9623 8.0546 109.6635 64.8960 68.6488 176.3874 179 D 4.3765 8.3554 121.8964 56.8859 40.8117 178.7337 180 R 3.8956 7.9699 119.4492 59.3819 30.2093 178.4821 181 L 4.0069 8.3118 119.2898 57.8210 41.6014 179.5686 182 R 3.8797 8.1348 118.4364 59.3616 29.9616 178.4700 183 A 4.0238 8.0580 120.6582 55.1056 18.1085 179.8270 184 V 3.3156 7.7256 116.1251 66.0494 31.6706 178.0093 185 L 4.1853 7.8645 118.1051 56.9049 41.5461 178.4008 186 T 4.3590 8.0616 108.4826 61.5075 70.0258 174.8228 187 G 3.9933 8.7891 115.2312 45.2967 0.0000 172.8336 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 8.07 4.89 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.24 3.53 0.00 1.57 1.60 0.00 3.23 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 4 W 6.95 4.80 0.00 3.41 3.39 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 5 D 7.49 4.79 0.00 3.03 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 6 P 0.00 4.30 0.00 2.20 2.15 0.00 3.84 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 7 G 8.04 3.78 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 0.00 0.00 0.00 8 A 7.91 3.83 1.17 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 0.00 0.00 9 E 7.70 3.47 0.00 1.91 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 2.54 2.36 0.00 10 Q 7.92 3.93 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 11 R 8.26 3.88 0.00 1.94 1.92 0.00 3.16 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 12 L 7.90 3.91 0.00 1.82 1.58 0.55 0.85 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 13 K 8.31 3.78 0.00 1.88 1.80 0.00 1.99 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.67 7.81 14 R 8.30 3.82 0.00 1.83 1.98 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 15 A 8.31 3.90 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.03 3.33 1.06 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 17 L 7.54 4.00 0.00 1.84 1.73 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.19 3.95 0.00 2.09 2.13 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 2.30 2.64 0.00 19 L 8.13 4.03 0.00 1.46 1.65 0.97 0.72 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 20 Y 8.06 4.58 0.00 2.98 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 21 S 7.85 4.37 0.00 4.11 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 22 E 8.85 3.85 0.00 2.01 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 2.33 2.36 0.00 23 H 8.26 4.67 0.00 3.23 3.19 0.00 5.79 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 24 G 8.46 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.81 3.69 0.00 2.72 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 26 D 8.16 4.33 0.00 2.73 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 27 N 8.18 4.77 0.00 2.84 2.84 0.00 0.00 6.69 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 28 V 7.29 4.53 2.37 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 0.75 0.00 0.00 1.09 0.00 0.00 29 T 8.62 4.63 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 1.16 0.00 0.00 30 V 7.92 3.11 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 0.28 0.00 0.00 0.57 0.00 0.00 31 T 7.59 3.81 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 1.19 0.00 0.00 32 D 7.69 4.30 0.00 2.72 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 33 I 7.60 3.62 1.99 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.97 0.97 0.00 0.00 34 A 8.37 4.10 1.51 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 35 E 8.27 4.09 0.00 2.07 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 2.33 2.26 0.00 36 R 7.98 3.86 0.00 1.84 2.10 0.00 3.27 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 37 A 7.41 4.53 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 38 G 8.16 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 39 L 8.35 4.86 0.00 1.78 1.64 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.04 4.56 4.30 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 1.26 0.00 0.00 41 R 8.50 3.83 0.00 1.84 2.09 0.00 3.32 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.70 0.00 42 R 8.11 4.35 0.00 2.04 2.04 0.00 3.32 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.88 0.00 43 S 7.99 4.37 0.00 4.27 4.15 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 44 Y 7.85 4.16 0.00 2.86 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 45 F 7.39 5.55 0.00 3.49 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 46 R 8.04 4.05 0.00 1.70 1.61 0.00 2.29 0.00 0.00 2.45 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 47 Y 8.10 4.00 0.00 2.75 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 0.00 0.00 0.00 0.00 48 F 7.43 5.02 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.76 0.00 2.34 2.32 0.00 4.04 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.09 0.00 50 D 8.05 5.04 0.00 3.04 2.97 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 0.00 0.00 0.00 51 K 8.67 4.56 0.00 2.04 1.98 0.00 1.03 0.00 0.00 0.61 0.00 0.00 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1.98 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 69 A 7.81 4.03 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 70 V 7.74 3.70 2.23 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 1.01 0.00 0.00 0.97 0.00 0.00 71 L 8.00 3.99 0.00 1.81 1.71 0.91 0.68 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 72 A 7.85 4.20 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 6.88 4.07 1.30 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 0.00 0.00 74 D 8.55 4.36 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.41 0.00 2.08 2.09 0.00 3.72 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 2.02 2.08 0.00 76 G 8.43 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.73 0.95 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.37 2.69 0.79 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 -0.66 0.00 0.00 0.54 0.00 0.00 96 A 7.75 4.51 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 97 Q 7.90 4.77 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 98 V 8.46 3.49 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 -0.28 0.00 0.00 0.76 0.00 0.00 99 E 7.62 4.00 0.00 1.87 1.95 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 2.34 2.34 0.00 100 G 8.96 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 0.00 0.00 0.00 101 A 8.04 4.08 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.86 3.90 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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119 R 8.04 3.92 0.00 2.05 1.97 0.00 3.19 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 120 T 7.97 3.83 4.30 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 1.16 0.00 0.00 121 K 7.55 3.91 0.00 1.95 1.80 0.00 1.23 0.00 0.00 1.08 0.00 0.00 3.33 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.43 7.81 122 S 8.37 4.10 0.00 3.99 3.92 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 0.00 0.00 0.00 123 A 8.32 3.94 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 0.00 124 A 7.89 3.92 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 0.00 125 I 7.71 3.60 1.95 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 1.34 0.72 0.80 0.00 0.00 126 S 8.23 4.04 0.00 3.92 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 0.00 127 R 8.26 3.88 0.00 2.06 1.88 0.00 3.30 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 128 A 8.00 3.99 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 0.00 129 V 7.98 3.55 2.21 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 1.07 0.00 0.00 0.91 0.00 0.00 130 Q 8.14 3.97 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 131 D 8.03 4.32 0.00 2.84 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 0.00 132 A 7.69 3.97 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 0.00 133 L 8.08 4.06 0.00 2.03 1.73 0.91 0.87 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 0.00 134 V 7.89 4.09 2.21 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 1.39 0.00 0.00 1.01 0.00 0.00 135 R 7.88 4.16 0.00 2.03 1.97 0.00 3.17 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 136 R 7.65 4.54 0.00 1.91 1.91 0.00 3.42 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 137 Q 7.81 3.65 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 138 V 7.44 4.16 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 1.03 0.00 0.00 0.96 0.00 0.00 139 D 8.58 4.60 0.00 2.90 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 0.00 140 A 8.68 3.95 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 0.00 141 D 8.10 4.32 0.00 2.87 2.74 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 0.00 142 T 8.28 3.92 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 1.21 0.00 0.00 143 A 8.54 3.99 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 0.00 144 E 8.35 3.86 0.00 2.05 2.13 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 2.31 2.35 0.00 145 L 7.64 4.02 0.00 1.87 1.70 0.92 0.72 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 0.00 146 V 8.02 3.56 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 1.09 0.00 0.00 0.96 0.00 0.00 147 A 8.00 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 Q 8.13 3.95 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 149 L 8.30 3.96 0.00 1.96 1.82 0.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 150 A 8.27 4.06 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 151 T 8.10 3.86 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 1.24 0.00 0.00 152 V 8.00 3.62 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 1.05 0.00 0.00 1.00 0.00 0.00 153 A 8.40 4.01 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 0.00 154 F 8.88 4.16 0.00 3.29 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 0.00 155 G 8.46 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 0.00 156 S 8.31 4.21 0.00 3.94 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 0.00 157 A 8.18 3.94 1.11 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 0.00 158 F 8.64 4.45 0.00 3.26 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 R 8.28 3.91 0.00 2.06 2.18 0.00 3.20 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 160 R 8.25 3.94 0.00 2.11 1.99 0.00 3.19 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 161 W 8.65 4.19 0.00 3.59 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 0.00 162 I 7.73 3.21 1.89 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 1.22 0.58 0.75 0.00 0.00 163 D 7.85 4.33 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 0.00 164 A 7.82 4.17 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 0.00 165 E 8.81 3.56 0.00 2.03 1.88 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 2.13 2.11 0.00 166 G 7.05 3.71 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 0.00 0.00 0.00 167 H 8.05 4.32 0.00 3.21 3.32 0.00 5.60 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 0.00 168 A 7.23 4.80 1.24 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 0.00 169 D 8.54 4.86 0.00 3.07 2.89 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 0.00 170 F 9.09 4.27 0.00 2.62 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 0.00 171 G 8.22 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 0.00 172 S 8.32 4.09 0.00 4.08 3.91 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 0.00 173 C 7.77 4.07 0.00 2.85 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.54 3.70 0.00 1.24 1.48 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 175 D 8.10 4.30 0.00 2.88 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 0.00 176 T 8.19 3.82 4.35 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 1.19 0.00 0.00 177 V 7.83 3.59 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 1.16 0.00 0.00 0.92 0.00 0.00 178 T 8.05 3.96 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 1.26 0.00 0.00 179 D 8.36 4.38 0.00 2.75 2.74 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 0.00 180 R 7.97 3.90 0.00 2.13 2.05 0.00 3.15 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 1.62 1.71 0.00 181 L 8.31 4.01 0.00 1.87 1.71 0.94 0.70 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 0.00 182 R 8.13 3.88 0.00 2.02 2.08 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 183 A 8.06 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 V 7.73 3.32 2.23 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 0.87 0.00 0.00 0.96 0.00 0.00 185 L 7.86 4.19 0.00 1.85 1.71 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 186 T 8.06 4.36 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 1.27 0.00 0.00 187 G 8.79 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.