NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2611 8.3049 120.3351 55.0892 32.4722 174.7985 2 K 4.3238 7.8686 123.9966 54.9123 34.0443 173.7935 3 K 5.2061 10.3541 124.6885 54.8273 35.8961 174.5099 4 I 5.1381 8.9965 127.4094 59.4312 40.7079 174.0670 5 L 5.2045 8.9914 128.0563 53.2599 44.7443 174.5631 6 L 5.1045 9.2234 129.3286 53.8582 43.8470 174.9118 7 L 5.5128 9.3777 126.4138 53.0688 45.2414 175.1734 8 N 5.3807 9.1670 120.5155 51.7165 42.0456 175.2342 9 G 4.2638 9.0029 113.9860 43.6902 0.0000 171.0740 10 P 4.2599 0.0000 0.0000 64.6329 31.3995 177.2831 11 N 4.4372 9.4960 116.8204 53.9434 38.0206 176.3627 12 L 4.1348 7.4573 118.3791 56.8907 41.8528 178.8190 13 N 4.3993 8.0163 115.1166 55.3320 37.3785 175.5029 14 M 4.3300 7.9942 117.9681 54.9385 32.0614 175.8676 15 L 4.0293 7.6282 120.3285 55.0464 42.0628 175.5572 16 G 3.8823 7.9602 117.5224 44.9131 0.0000 174.2086 17 K 4.4319 7.2280 119.5549 55.0152 33.2546 176.6752 18 R 3.9078 8.2905 120.3413 57.7351 30.5012 176.9853 19 E 3.8026 7.9499 124.4323 58.0223 28.4211 177.0939 *25 S 4.2656 7.5001 113.7102 59.7742 63.4504 174.6951 26 Q 3.4568 7.8392 115.6652 54.2811 28.8761 177.2164 27 T 4.5406 8.1099 114.1425 59.9343 71.3982 175.5428 28 L 3.8623 8.2176 122.1648 58.2791 42.0243 178.8921 29 S 4.1354 7.9459 114.7139 61.5963 62.7479 176.2310 30 D 4.2855 7.8664 121.4279 57.4288 40.5347 178.9435 31 I 3.6026 7.4527 119.7932 64.3258 37.0556 178.3449 32 E 3.5732 8.1757 119.7407 59.2766 29.0598 179.4833 33 Q 3.8932 7.9111 117.9472 59.1242 28.8041 178.1067 34 H 4.0680 8.1827 119.1712 59.4823 29.8036 177.2288 35 L 3.8958 7.9943 120.6207 57.6826 41.4365 179.3028 36 Q 4.0104 8.1804 119.5062 59.4271 29.0725 178.3615 37 Q 4.0347 8.3636 119.3331 59.0869 28.8412 179.0102 38 S 4.1113 8.2394 116.0428 61.4117 62.8479 176.5943 39 A 4.1488 8.2569 123.6599 55.3399 18.1202 179.7071 40 Q 4.4118 8.6091 117.7231 58.5983 28.5554 178.9209 41 A 4.0617 7.9953 120.7941 54.5194 18.4508 178.6195 42 Q 4.4950 7.5637 113.0969 55.6338 29.1517 176.3888 43 G 3.8110 8.2799 108.3939 45.5853 0.0000 172.8194 44 Y 4.8373 8.1769 116.4509 55.6190 41.7068 174.3825 45 E 4.8054 8.8230 120.5091 54.9045 32.0243 174.5802 46 L 5.2644 8.5275 124.6677 53.4909 44.7423 174.9420 47 D 5.0693 9.0557 126.2075 53.0760 43.8328 174.3324 48 Y 5.5494 7.5656 118.8842 55.9191 41.5350 173.8776 49 F 5.0504 9.0770 121.1132 57.4853 43.4399 172.6004 50 Q 5.3040 7.6780 124.1383 53.7164 32.0471 173.5073 51 A 4.4293 8.2405 124.7988 51.1173 22.2028 175.6148 52 N 4.7647 8.7974 115.8748 53.0201 39.3702 175.8159 53 G 4.5063 7.6667 104.4685 42.1713 0.0000 173.7286 54 E 3.8225 8.6036 121.0234 58.9808 29.4188 179.3117 55 E 3.8723 8.1008 118.8781 59.4468 29.8135 178.9244 56 S 4.2069 8.0804 114.5730 61.6328 62.9958 176.6077 57 L 4.2177 7.9759 121.1652 57.9913 41.3463 179.6287 58 I 3.5837 8.2128 120.1033 64.3923 36.9653 178.2569 59 N 4.2084 8.3492 117.6062 56.2670 38.1145 177.4625 60 R 3.8856 7.4316 120.4029 58.7230 30.4435 178.3739 61 I 3.8391 7.8057 119.7149 64.7344 37.1149 178.1132 62 H 4.2721 8.3740 117.3154 59.0535 28.1628 177.9317 63 Q 4.0861 8.3682 119.5218 58.5251 28.5990 178.1498 64 A 4.2745 7.9086 120.8748 52.4391 18.5135 177.0863 65 F 4.4162 7.4354 120.1684 60.0024 39.6460 175.2520 66 Q 3.4469 8.6036 124.9441 56.1905 26.0765 173.3900 67 N 4.9680 8.1009 112.3127 51.9411 38.9019 174.3199 68 T 4.6804 7.8487 115.5322 62.1006 70.9720 173.4302 69 D 4.8620 8.8961 125.2205 55.4839 42.2770 176.5127 70 F 4.8660 7.9578 118.7095 57.1156 43.0655 172.6343 71 I 5.1967 8.4263 125.3695 59.6243 40.8515 174.4885 72 I 5.1711 8.9866 126.8350 59.7097 39.8120 174.4224 73 I 5.1262 9.0602 127.4463 59.2331 41.6227 173.5514 74 N 5.4705 9.5371 128.4887 50.2686 40.2520 172.7782 75 P 4.5507 0.0000 0.0000 62.3763 32.9037 177.9391 76 G 3.7183 8.5906 108.7598 46.3085 0.0000 175.7449 77 A 4.1319 8.4392 121.4163 55.1598 18.6423 179.4435 78 F 4.9859 8.1559 113.4160 59.3532 39.4177 177.6580 79 T 3.9966 8.2322 111.8914 64.7058 68.5781 175.8304 80 H 5.0214 7.9235 117.3563 56.7793 29.2405 175.8531 81 T 4.6911 8.0370 107.4448 61.2242 70.5336 173.1789 82 S 4.5877 8.4534 118.1771 56.7893 61.1888 174.2449 83 V 3.2610 7.6082 127.0513 65.0808 31.3627 177.1795 84 A 3.8650 7.6753 120.3788 55.2019 18.2276 179.5326 85 I 3.6028 7.7771 118.3516 64.1036 37.1357 178.5019 86 R 3.8465 7.6327 119.7826 59.8111 29.9441 178.4660 87 D 4.3841 8.3385 118.2215 56.8710 40.8063 178.7872 88 A 3.9651 7.7829 121.7161 55.1343 16.8454 179.6267 89 L 3.8904 7.9261 117.5887 57.9382 41.4801 179.8543 90 L 4.3145 8.1350 118.7554 57.6268 41.3210 179.3356 91 A 3.9315 7.9757 120.0910 54.8475 18.4176 179.2982 92 V 3.7354 7.5678 107.6643 60.8114 32.4799 176.1536 93 S 3.7705 7.5454 114.2322 59.7321 60.9604 172.4153 94 I 4.4785 7.0735 118.5746 58.4707 39.0640 174.5441 95 P 4.4660 0.0000 0.0000 63.0305 32.3443 175.2066 96 F 5.6853 7.8723 115.3559 54.6216 42.0943 172.8378 97 I 4.8872 8.6277 119.7193 59.5719 40.5840 174.0374 98 E 5.0475 8.9419 127.9254 55.1527 31.2210 174.8803 99 V 4.6893 8.7540 126.3674 61.3908 35.2815 173.8228 100 H 4.8864 8.8664 123.3262 54.1217 32.3892 174.2805 101 L 4.0232 8.8631 123.5660 57.7008 42.4609 177.9255 102 S 4.5816 7.9134 111.1224 56.9099 64.7918 173.3561 103 N 4.6036 8.2741 119.3740 52.2111 37.6847 175.6926 104 V 3.6293 8.1160 120.5513 64.4361 31.8724 178.5306 105 H 4.0337 8.0934 115.6423 57.6685 28.6239 175.8854 106 A 4.4396 7.8408 120.6032 52.2313 19.4688 177.5995 107 R 4.7231 7.0299 116.4663 54.8475 31.8611 175.8950 108 E 3.9130 8.1567 119.2509 56.6351 30.2900 176.0065 109 P 3.5341 0.0000 0.0000 65.4882 31.4955 178.6958 110 F 4.3108 7.6960 111.3755 59.0287 37.8849 175.9139 111 R 3.7694 7.0825 119.1675 56.7792 30.0553 176.8251 112 H 4.4722 7.9777 115.2002 57.0631 29.1462 174.6670 113 H 4.8773 7.9895 118.8783 54.0751 31.7161 173.1847 114 S 4.8605 7.8155 119.0904 56.9686 65.1398 173.0856 115 Y 4.6373 9.0790 124.0626 58.3442 38.2786 175.9895 116 L 4.8303 7.7982 120.3412 55.9744 44.4318 178.5391 117 S 4.3274 8.6599 114.5877 60.8848 62.8323 176.5905 118 D 4.4049 8.1544 117.1473 55.3407 39.2975 177.0110 119 V 4.1942 7.6969 110.9949 60.8388 32.5813 175.7837 120 A 2.8395 7.1884 123.3842 50.8568 19.0268 177.7371 121 K 3.9905 8.1960 122.6241 59.5116 32.9986 176.8837 122 G 4.0154 7.3215 104.4636 45.5366 0.0000 172.2349 123 V 5.1347 8.1246 118.7844 61.0500 34.9803 174.4392 124 I 4.7191 8.8074 127.6025 59.5860 40.2838 174.1610 125 C 5.0949 8.7370 121.5610 57.6420 32.0575 174.6380 126 G 3.9442 9.1343 110.7794 45.5709 0.0000 173.4925 127 L 4.5222 7.7758 117.9651 53.8026 42.6127 178.5427 128 G 3.7865 8.0301 108.8743 45.8603 0.0000 175.0078 129 A 4.2990 8.5226 118.9534 55.1791 18.3551 180.0003 130 K 3.9969 8.1055 116.7230 59.1985 31.9737 179.2587 131 G 3.6038 7.9492 106.3553 48.0557 0.0000 175.3557 132 Y 4.1930 7.8058 118.8390 60.8023 37.8229 178.1549 133 D 4.3674 7.8525 119.4364 57.6766 40.9528 178.2746 134 Y 4.4082 7.5299 116.9548 61.1124 37.7612 178.4915 135 A 4.0960 8.1993 121.8166 55.0304 18.3983 179.5027 136 L 3.8516 8.2139 118.9454 58.2595 42.2250 178.5668 137 D 4.2513 8.2747 118.0738 57.3943 41.0772 178.1247 138 F 3.8923 8.7538 122.2819 60.4592 39.4174 176.7952 139 A 2.5800 8.0102 120.6732 54.9559 18.0682 179.7262 140 I 3.0928 7.5358 118.5241 64.1665 36.8294 178.8387 141 S 4.3806 7.5561 116.4847 60.9685 62.5807 176.5014 142 E 3.8596 7.8126 122.3083 59.0386 28.9455 179.3426 143 L 4.0961 7.6081 118.0978 57.7184 41.8284 179.2472 144 Q 4.1997 8.2352 118.1236 58.5624 28.3048 178.9626 145 K 3.9911 7.3479 117.9223 59.3197 32.2588 177.6330 146 I 4.0396 7.3603 123.3578 61.6327 37.1660 175.7956 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 1 M 8.30 4.26 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.61 0.00 2 K 7.87 4.32 0.00 2.12 1.99 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.57 1.60 7.81 3 K 10.35 5.21 0.00 1.97 1.79 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.43 7.81 4 I 9.00 5.14 1.97 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.79 1.10 0.00 0.00 5 L 8.99 5.20 0.00 1.80 1.58 1.03 0.59 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 6 L 9.22 5.10 0.00 1.89 1.80 1.06 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.38 5.51 0.00 1.65 1.64 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 8 N 9.17 5.38 0.00 2.61 2.68 0.00 0.00 6.56 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 9.00 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 0.00 0.00 0.00 0.00 10 P 0.00 4.26 0.00 1.89 1.79 0.00 3.72 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.44 0.00 11 N 9.50 4.44 0.00 2.88 2.99 0.00 0.00 6.87 7.12 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 12 L 7.46 4.13 0.00 1.80 1.72 1.14 0.57 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 13 N 8.02 4.40 0.00 2.78 3.09 0.00 0.00 6.05 7.66 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 14 M 7.99 4.33 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 15 L 7.63 4.03 0.00 1.67 1.61 0.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.96 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 17 K 7.23 4.43 0.00 1.77 1.81 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.32 7.81 18 R 8.29 3.91 0.00 1.89 1.83 0.00 3.37 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 19 E 7.95 3.80 0.00 2.06 2.18 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 2.28 2.33 0.00 *25 S 7.50 4.27 0.00 4.01 3.86 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 0.00 0.00 0.00 26 Q 7.84 3.46 0.00 2.20 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.07 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 27 T 8.11 4.54 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 28 L 8.22 3.86 0.00 1.88 1.62 0.76 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.95 4.14 0.00 3.84 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 30 D 7.87 4.29 0.00 2.83 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 31 I 7.45 3.60 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.62 0.44 0.00 0.00 32 E 8.18 3.57 0.00 1.61 1.12 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 1.80 2.06 0.00 33 Q 7.91 3.89 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 34 H 8.18 4.07 0.00 3.25 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.99 3.90 0.00 1.66 1.69 0.78 0.88 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 36 Q 8.18 4.01 0.00 2.37 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.65 0.00 37 Q 8.36 4.03 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 38 S 8.24 4.11 0.00 3.93 3.86 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 0.00 0.00 0.00 39 A 8.26 4.15 1.46 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 0.00 0.00 0.00 40 Q 8.61 4.41 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 41 A 8.00 4.06 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 42 Q 7.56 4.49 0.00 2.47 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.06 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 43 G 8.28 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.18 4.84 0.00 3.05 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 45 E 8.82 4.81 0.00 2.10 2.10 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 2.48 2.30 0.00 46 L 8.53 5.26 0.00 1.71 1.65 0.99 1.35 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 47 D 9.06 5.07 0.00 2.83 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.57 5.55 0.00 2.94 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 9.08 5.05 0.00 3.13 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 50 Q 7.68 5.30 0.00 1.93 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.50 0.00 0.00 0.00 0.00 0.00 2.33 2.05 0.00 51 A 8.24 4.43 1.15 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 0.00 0.00 52 N 8.80 4.76 0.00 2.72 2.82 0.00 0.00 6.65 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 53 G 7.67 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.60 3.82 0.00 1.81 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 1.54 1.47 0.00 55 E 8.10 3.87 0.00 2.02 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 0.00 2.38 2.39 0.00 56 S 8.08 4.21 0.00 4.08 4.23 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 0.00 0.00 0.00 0.00 57 L 7.98 4.22 0.00 1.80 1.81 1.24 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.21 3.58 1.83 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.69 0.63 0.00 0.00 59 N 8.35 4.21 0.00 2.85 2.79 0.00 0.00 6.67 8.48 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 60 R 7.43 3.89 0.00 0.99 1.85 0.00 2.93 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.36 0.00 61 I 7.81 3.84 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.07 0.88 0.00 0.00 62 H 8.37 4.27 0.00 3.27 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.37 4.09 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 64 A 7.91 4.27 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 7.44 4.42 0.00 2.94 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 66 Q 8.60 3.45 0.00 1.83 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 1.55 1.16 0.00 67 N 8.10 4.97 0.00 2.79 2.81 0.00 0.00 6.70 7.32 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 68 T 7.85 4.68 4.41 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 1.34 0.00 0.00 69 D 8.90 4.86 0.00 2.79 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 70 F 7.96 4.87 0.00 3.14 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 71 I 8.43 5.20 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.98 1.03 0.00 0.00 72 I 8.99 5.17 2.08 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.96 1.16 0.00 0.00 73 I 9.06 5.13 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.98 0.95 0.00 0.00 74 N 9.54 5.47 0.00 2.88 3.07 0.00 0.00 6.84 8.40 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 75 P 0.00 4.55 0.00 2.41 2.36 0.00 3.89 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 2.18 2.05 0.00 76 G 8.59 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 77 A 8.44 4.13 1.26 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 0.00 0.00 78 F 8.16 4.99 0.00 3.34 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 79 T 8.23 4.00 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 1.43 0.00 0.00 80 H 7.92 5.02 0.00 3.35 3.54 0.00 5.59 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.04 4.69 4.36 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 1.40 0.00 0.00 82 S 8.45 4.59 0.00 3.59 3.85 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 83 V 7.61 3.26 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.02 0.00 0.00 84 A 7.68 3.86 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 85 I 7.78 3.60 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.38 0.84 0.00 0.00 86 R 7.63 3.85 0.00 2.00 2.14 0.00 3.33 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 87 D 8.34 4.38 0.00 2.78 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 88 A 7.78 3.97 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 89 L 7.93 3.89 0.00 1.67 1.47 0.07 0.16 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 90 L 8.14 4.31 0.00 1.84 1.73 0.96 0.54 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 91 A 7.98 3.93 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 92 V 7.57 3.74 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 0.83 0.00 0.00 1.07 0.00 0.00 93 S 7.55 3.77 0.00 4.06 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 94 I 7.07 4.48 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.91 0.92 0.00 0.00 95 P 0.00 4.47 0.00 1.70 2.10 0.00 3.62 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 1.78 2.00 0.00 96 F 7.87 5.69 0.00 3.12 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 97 I 8.63 4.89 2.13 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.20 0.97 0.00 0.00 98 E 8.94 5.05 0.00 2.30 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 2.22 2.30 0.00 99 V 8.75 4.69 1.80 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 0.25 0.00 0.00 0.84 0.00 0.00 100 H 8.87 4.89 0.00 3.04 3.09 0.00 5.67 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.86 4.02 0.00 1.62 1.73 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.91 4.58 0.00 3.96 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.27 4.60 0.00 2.74 2.76 0.00 0.00 6.87 7.71 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 0.00 104 V 8.12 3.63 2.16 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 0.55 0.00 0.00 0.61 0.00 0.00 105 H 8.09 4.03 0.00 3.23 3.22 0.00 5.64 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 0.00 106 A 7.84 4.44 1.29 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 0.00 0.00 107 R 7.03 4.72 0.00 1.63 1.68 0.00 3.14 0.00 0.00 3.16 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 108 E 8.16 3.91 0.00 1.16 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 2.34 2.25 0.00 109 P 0.00 3.53 0.00 2.11 2.01 0.00 3.48 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 110 F 7.70 4.31 0.00 3.02 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 0.00 111 R 7.08 3.77 0.00 1.63 1.79 0.00 2.91 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.55 0.00 112 H 7.98 4.47 0.00 3.20 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 7.99 4.88 0.00 3.07 3.11 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.82 4.86 0.00 3.82 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 0.00 115 Y 9.08 4.64 0.00 3.08 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 0.00 116 L 7.80 4.83 0.00 1.99 2.01 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.66 4.33 0.00 3.90 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 0.00 118 D 8.15 4.40 0.00 2.79 2.81 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 0.00 0.00 0.00 119 V 7.70 4.19 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 0.77 0.00 0.00 1.23 0.00 0.00 120 A 7.19 2.84 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.20 3.99 0.00 1.66 1.94 0.00 1.77 0.00 0.00 1.82 0.00 0.00 3.55 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.84 1.45 7.81 122 G 7.32 4.02 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 0.00 0.00 0.00 123 V 8.12 5.13 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 0.93 0.00 0.00 0.98 0.00 0.00 124 I 8.81 4.72 1.85 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.52 0.98 0.00 0.00 125 C 8.74 5.09 0.00 2.92 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 0.00 126 G 9.13 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 0.00 127 L 7.78 4.52 0.00 1.71 1.80 1.09 0.95 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 0.00 128 G 8.03 3.79 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 0.00 0.00 0.00 129 A 8.52 4.30 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 0.00 130 K 8.11 4.00 0.00 1.81 1.31 0.00 1.68 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.44 7.81 131 G 7.95 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 7.81 4.19 0.00 3.13 2.96 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 0.00 133 D 7.85 4.37 0.00 2.47 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 0.00 134 Y 7.53 4.41 0.00 3.18 2.92 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 0.00 135 A 8.20 4.10 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 0.00 136 L 8.21 3.85 0.00 1.81 1.88 0.87 0.99 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 0.00 137 D 8.27 4.25 0.00 2.82 2.93 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 0.00 0.00 0.00 138 F 8.75 3.89 0.00 3.28 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 0.00 139 A 8.01 2.58 0.86 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 0.00 0.00 0.00 0.00 0.00 140 I 7.54 3.09 1.70 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.33 0.60 0.00 0.00 141 S 7.56 4.38 0.00 3.81 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 0.00 142 E 7.81 3.86 0.00 1.88 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 1.66 2.67 0.00 143 L 7.61 4.10 0.00 1.76 1.89 1.00 0.95 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 0.00 144 Q 8.24 4.20 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.49 2.75 0.00 145 K 7.35 3.99 0.00 1.91 1.85 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.69 1.55 7.81 146 I 7.36 4.04 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.71 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.