NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0385 8.1633 120.7119 55.2263 33.9864 173.9474 2 R 4.9176 9.1961 121.0586 52.0903 34.6587 169.3959 3 V 4.9764 8.3792 122.3183 60.1583 35.7257 173.8961 4 V 4.6507 8.9661 125.2343 61.6606 32.9202 174.3769 5 I 4.8103 8.4909 129.8371 60.4022 39.0487 175.1626 6 Q 5.1255 8.8280 124.6520 54.0776 33.0856 174.3326 7 R 4.6812 8.7308 123.6912 55.8472 31.6870 175.6126 8 V 5.0567 8.9790 118.6309 59.8145 35.9684 176.1341 9 K 4.5631 9.2173 121.2177 55.7524 32.7416 176.8553 10 G 4.6237 7.3327 112.0282 45.8218 0.0000 171.4759 11 A 5.2117 8.1482 121.8337 50.6705 23.4886 175.5823 12 I 4.8073 8.9458 122.7577 59.5102 40.7793 174.1380 13 L 4.9930 9.1943 130.6313 53.6907 43.6347 175.5037 14 S 5.2791 9.2894 121.6827 57.0052 67.4893 173.1759 15 V 4.8171 8.3919 114.0682 59.5607 36.2785 175.1832 16 R 4.2472 8.5246 120.0506 56.0925 30.6356 176.1766 *26 E 4.0829 8.3353 121.0274 56.1308 30.5387 174.9582 27 L 4.9067 8.2200 123.4456 53.1655 44.3670 175.3216 28 E 4.7739 8.7754 120.8247 54.2833 32.9298 175.0478 29 I 4.6175 8.7247 127.2020 60.9930 37.8245 175.8190 30 I 4.7167 8.5975 116.9551 60.3342 39.6518 175.0004 31 S 4.6681 7.8102 115.7340 58.2732 67.1525 174.3823 32 E 5.1996 8.7554 122.8410 55.0771 33.3593 174.4708 33 I 4.9759 8.5904 117.4187 57.6090 40.9538 175.4323 34 K 4.5513 8.7209 129.4205 55.8762 31.0374 177.2823 35 N 4.5067 8.6064 123.0450 53.8055 39.3943 174.7758 36 G 4.8530 7.2452 108.0105 46.1250 0.0000 170.4981 37 L 5.2622 8.0257 120.3096 52.9999 45.3666 175.6837 38 I 4.4309 8.3939 123.5944 59.7621 39.5813 174.0704 39 C 4.8325 8.5823 128.8922 58.6487 29.7222 173.0335 40 F 4.9677 9.5713 124.4483 56.0967 39.6508 174.6821 41 L 5.1845 9.1962 127.0867 53.1571 44.6060 175.0652 42 G 4.4423 9.3568 114.0724 45.4630 0.0000 171.8884 43 I 5.1859 8.7093 125.5351 59.9822 39.2668 175.0993 44 H 3.7002 10.1467 130.0896 55.7730 30.5715 176.5304 45 K 3.7390 7.8070 127.2346 57.7535 31.4237 177.7675 46 N 4.8534 8.1601 113.2112 52.6272 38.7693 174.8137 47 D 4.6278 7.8408 119.4935 55.0158 41.3405 176.1652 48 T 4.6929 9.8840 114.1941 59.1356 71.5100 175.0481 49 W 4.7982 8.9817 130.3226 60.6500 30.3734 177.6511 50 E 3.8725 8.0081 117.5843 59.8640 28.9253 178.1607 51 D 4.3096 7.9796 118.2535 57.6446 40.8299 178.6545 52 A 3.8078 8.1220 119.8687 55.6743 18.2936 179.2128 53 L 3.3060 7.4253 117.0736 58.0604 41.6794 179.4418 54 Y 3.8986 7.8594 118.9023 60.8511 38.7351 177.5681 55 I 3.5666 7.6852 120.5871 64.6835 37.2529 177.9777 56 I 3.1843 7.5481 120.1210 64.5453 36.9384 178.3746 57 R 3.7383 7.8342 119.2459 59.2151 29.8561 178.6958 58 K 3.7330 8.1192 118.4604 59.6660 31.8613 178.7868 59 C 3.9865 8.0506 115.8983 63.2521 28.1430 176.3090 60 L 4.1779 8.0944 120.0317 57.4725 41.1170 178.6014 61 N 4.6880 7.8535 113.5548 52.4237 39.5864 175.6756 62 L 3.8941 7.8961 122.1271 55.3611 42.1458 176.7122 63 R 4.8864 8.6081 122.9544 55.2551 29.1385 176.4159 64 L 4.9545 8.7141 120.7176 54.0078 42.9821 176.7121 65 W 4.6710 8.2397 119.4898 54.4609 31.5195 175.4561 66 N 4.7638 8.4589 118.3074 53.2834 38.8318 174.8577 67 N 4.7943 9.5625 118.7783 52.1584 41.4287 177.0031 68 D 4.3561 9.2353 128.0660 55.4079 40.2228 174.9750 69 N 4.4549 9.3904 121.7922 56.6342 39.8638 174.6357 70 K 4.1255 8.1934 118.9924 56.2667 32.5790 177.0491 71 T 3.9486 8.2350 113.9132 60.4236 70.7643 174.3794 72 W 4.1617 6.7399 118.8315 57.2466 26.5646 174.1694 73 D 4.8585 8.6395 120.3369 55.4530 42.9095 177.1624 74 K 4.9510 8.0973 117.2357 54.6943 34.8385 175.8009 75 N 5.6503 9.5979 122.0375 50.5749 39.7001 176.2827 76 V 3.4260 8.1164 115.3214 64.9090 31.7731 178.9492 77 K 3.5082 8.0091 119.5019 59.1817 31.6447 178.6587 78 D 4.3424 7.9728 117.8673 57.1027 40.8288 178.1644 79 L 3.8453 6.7649 114.6213 53.1185 42.3182 175.8139 80 N 4.2205 7.8327 116.2370 53.9707 37.5921 172.7243 81 Y 5.0149 7.9039 114.3341 56.9723 40.6766 175.9217 82 E 4.8706 8.5029 119.9149 55.0293 32.8055 175.2925 83 L 5.0802 8.8357 120.5489 52.9400 45.8446 175.6037 84 L 4.8097 8.7328 125.6252 53.6119 43.5436 175.1439 85 I 4.6673 8.3258 128.7220 59.8845 38.8466 174.9426 86 V 4.6633 8.2006 127.8488 60.7898 34.1390 174.4784 87 S 4.8112 8.7978 123.0796 58.2789 62.8701 173.0190 88 Q 4.4297 10.4045 129.0323 54.1627 30.2711 175.5750 89 F 4.7015 8.4489 122.4880 58.8865 38.8049 177.3659 90 T 4.2124 7.0529 110.7803 62.8597 68.7036 176.0921 91 L 4.0022 7.8809 122.4847 57.3392 42.1405 177.3449 92 F 4.9117 8.0265 117.1598 57.2374 39.3793 176.3676 93 G 4.2430 7.9587 112.0250 44.4882 0.0000 172.9376 94 N 4.4761 9.0839 125.8039 53.7388 39.5114 175.4385 95 T 4.4262 8.4206 115.5328 61.5506 69.2696 175.5358 96 K 3.6879 7.4518 125.4411 58.4784 32.0458 182.0969 97 K 4.1448 7.7092 128.9183 55.5750 31.5527 180.2449 98 G 4.1536 8.7389 109.0649 45.1630 0.0000 171.5898 99 N 4.8557 8.3139 116.9424 53.5006 38.9855 176.6145 100 K 4.4750 7.6774 118.6646 51.8632 35.2654 176.1847 101 P 4.3738 0.0000 0.0000 60.9823 31.4564 175.3034 102 D 4.2653 8.3258 124.3401 53.4814 41.9440 177.0079 103 F 5.6199 8.0558 127.3566 56.7078 39.2514 176.3517 104 H 4.3424 7.9505 122.0720 59.5032 30.5374 176.5741 105 L 3.8985 7.8664 115.8747 55.5296 41.5171 176.4714 106 A 4.0917 7.7222 124.6268 51.6663 18.8560 178.9046 107 K 4.0266 8.2707 125.9033 55.3027 32.8362 174.2120 108 E 4.0562 8.9756 122.3676 56.2915 30.6530 176.1105 109 P 4.2462 0.0000 0.0000 65.6410 31.8148 178.3148 110 N 4.2651 10.5114 115.4398 56.3284 38.4800 177.5795 111 E 3.9425 8.3097 119.2676 59.2795 29.5740 178.9289 112 A 4.2040 8.6516 121.1216 55.3467 18.3641 179.0212 113 L 2.4400 8.3843 119.3390 58.2320 42.0416 179.3248 114 I 3.7501 7.6044 117.7690 63.7081 37.8865 177.6848 115 F 4.3197 8.6949 122.1003 61.4076 39.2303 176.1422 116 Y 4.2628 8.9025 119.6491 61.3382 38.4417 178.2916 117 N 4.4365 8.2526 116.8482 56.0568 38.5707 177.5916 118 K 3.8701 8.0252 119.9221 59.4461 32.1482 179.0426 119 I 3.6476 7.6705 119.9532 64.8331 37.1175 178.4759 120 I 3.9828 7.8186 120.3296 64.3898 36.7466 178.3706 121 D 4.3154 8.4075 119.9732 57.4915 40.7576 178.2221 122 E 4.0099 8.4361 119.7888 59.4105 29.5215 178.7471 123 F 4.3065 8.6503 118.0573 60.8330 38.8625 177.7946 124 K 4.1802 8.0310 116.6795 59.2835 31.8420 179.5387 125 K 4.1741 8.1847 118.5735 59.7931 32.2200 179.3184 126 Q 4.2029 8.7281 116.8841 55.9591 28.6372 176.6122 127 Y 4.5930 9.0930 117.3787 57.1225 38.3641 177.0887 128 N 4.9731 8.9147 112.7754 51.8381 42.3647 173.3419 129 D 4.3600 8.7507 123.8165 57.3225 41.4868 177.2379 130 D 4.4682 9.0431 119.0762 56.2994 41.3040 177.4606 131 K 3.9064 7.6916 116.2826 57.0563 32.2236 175.9632 132 I 4.6437 7.2923 120.2361 59.7357 38.2042 175.0861 133 K 4.7788 8.7944 127.3910 54.6229 35.0325 175.5354 134 I 5.0968 7.6097 114.5114 58.4352 41.3568 173.9401 135 G 4.0750 8.1000 109.8866 44.1630 0.0000 173.3833 136 K 4.3289 8.3988 120.6681 54.8651 31.5767 175.5480 137 F 3.6957 8.7970 128.6065 59.8658 39.4808 175.0161 138 G 4.0229 8.1662 113.6041 46.1439 0.0000 172.6564 139 N 5.0278 7.5778 115.3271 50.6727 41.2358 173.9226 140 Y 4.0021 8.7051 122.6050 58.3566 38.9784 174.9663 141 M 4.8102 7.8510 126.5785 53.4214 35.2678 174.7959 142 N 4.6936 9.0695 121.3892 52.0205 41.1019 173.4348 143 I 4.9428 8.2640 126.9761 59.6370 39.8359 174.8554 144 D 4.7206 8.7944 128.4704 53.3893 42.0038 175.8902 145 V 4.6578 8.2967 123.3758 61.3651 34.5251 175.1375 146 T 4.3682 8.9412 125.7431 62.3577 68.9566 173.5861 147 N 4.8162 8.6537 124.7652 53.1712 39.1869 175.8616 148 D 4.2438 8.9483 126.5331 51.0383 39.0351 176.0718 149 G 4.2021 7.9086 117.4522 45.9632 0.0000 169.2809 150 P 4.4002 0.0000 0.0000 61.4791 32.8731 176.3831 151 V 4.3958 8.1508 119.2333 61.7324 34.2227 174.0719 152 T 5.0876 8.6457 124.8133 61.9470 70.5540 174.0158 153 I 4.6077 9.0477 127.3748 59.7340 40.3378 174.0057 154 Y 5.2115 8.4383 124.6842 56.0387 42.0105 174.8524 155 I 4.3784 7.2076 125.5245 59.7956 41.6804 173.2756 156 D 5.1938 8.5036 127.3390 52.4905 42.2590 176.1158 157 T 3.8424 8.9220 117.2857 63.5222 69.2635 175.2607 158 H 4.7562 8.3177 122.6093 53.8985 27.3581 175.0137 159 D 4.2594 7.4978 122.1502 54.7822 41.6729 175.8277 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 8.16 5.04 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.20 4.92 0.00 1.24 1.59 0.00 2.82 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.36 0.00 3 V 8.38 4.98 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 0.64 0.00 0.00 1.01 0.00 0.00 4 V 8.97 4.65 2.20 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 1.03 0.00 0.00 1.10 0.00 0.00 5 I 8.49 4.81 1.90 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 1.26 0.69 0.94 0.00 0.00 6 Q 8.83 5.13 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 7 R 8.73 4.68 0.00 1.62 1.62 0.00 2.21 0.00 0.00 2.50 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.70 0.00 8 V 8.98 5.06 2.34 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 0.93 0.00 0.00 1.06 0.00 0.00 9 K 9.22 4.56 0.00 1.64 1.82 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.40 7.81 10 G 7.33 4.62 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 0.00 0.00 0.00 11 A 8.15 5.21 1.18 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 0.00 0.00 0.00 12 I 8.95 4.81 1.87 0.00 0.00 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 1.10 0.67 0.91 0.00 0.00 13 L 9.19 4.99 0.00 1.65 1.51 0.88 0.97 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 14 S 9.29 5.28 0.00 3.74 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 15 V 8.39 4.82 2.14 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 0.78 0.00 0.00 1.01 0.00 0.00 16 R 8.52 4.25 0.00 1.85 1.88 0.00 3.23 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 *26 E 8.34 4.08 0.00 1.96 1.90 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 2.20 2.35 0.00 27 L 8.22 4.91 0.00 1.69 1.78 0.98 0.93 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 28 E 8.78 4.77 0.00 2.00 1.75 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 2.20 2.26 0.00 29 I 8.72 4.62 1.87 0.00 0.00 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 1.03 1.50 0.94 0.00 0.00 30 I 8.60 4.72 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.66 1.02 0.00 0.00 31 S 7.81 4.67 0.00 3.73 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 32 E 8.76 5.20 0.00 1.77 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 2.20 2.30 0.00 33 I 8.59 4.98 1.82 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 1.20 1.72 0.89 0.00 0.00 34 K 8.72 4.55 0.00 1.85 1.47 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.51 7.81 35 N 8.61 4.51 0.00 1.44 1.86 0.00 0.00 6.63 7.76 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 36 G 7.25 4.85 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 0.00 0.00 0.00 37 L 8.03 5.26 0.00 1.65 1.59 1.09 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.39 4.43 1.75 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 1.08 0.97 0.00 0.00 39 C 8.58 4.83 0.00 2.88 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 40 F 9.57 4.97 0.00 2.99 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 41 L 9.20 5.18 0.00 1.86 1.70 1.10 1.36 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 42 G 9.36 4.44 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 0.00 43 I 8.71 5.19 2.18 0.00 0.00 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 1.74 1.26 1.28 0.00 0.00 44 H 10.15 3.70 0.00 3.14 3.33 0.00 5.62 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.81 3.74 0.00 1.83 1.75 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.32 7.81 46 N 8.16 4.85 0.00 2.67 2.83 0.00 0.00 6.90 8.06 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 47 D 7.84 4.63 0.00 2.67 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 48 T 9.88 4.69 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 1.30 0.00 0.00 49 W 8.98 4.80 0.00 3.51 3.23 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 50 E 8.01 3.87 0.00 2.11 1.98 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 2.40 2.53 0.00 51 D 7.98 4.31 0.00 2.99 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 52 A 8.12 3.81 0.93 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 0.00 0.00 53 L 7.43 3.31 0.00 1.60 1.50 0.77 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.86 3.90 0.00 3.09 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 55 I 7.69 3.57 1.95 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 1.76 0.86 0.94 0.00 0.00 56 I 7.55 3.18 1.52 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.21 0.35 0.00 0.00 57 R 7.83 3.74 0.00 1.83 1.78 0.00 3.03 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 58 K 8.12 3.73 0.00 1.62 1.69 0.00 1.61 0.00 0.00 1.42 0.00 0.00 2.55 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.58 1.27 7.81 59 C 8.05 3.99 0.00 3.20 3.19 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 60 L 8.09 4.18 0.00 1.71 1.65 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.85 4.69 0.00 2.72 2.82 0.00 0.00 7.10 8.02 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 62 L 7.90 3.89 0.00 1.76 1.66 0.89 0.72 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 63 R 8.61 4.89 0.00 1.98 2.02 0.00 3.12 0.00 0.00 3.38 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.89 0.00 64 L 8.71 4.95 0.00 0.98 1.37 0.84 1.03 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 65 W 8.24 4.67 0.00 3.47 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 66 N 8.46 4.76 0.00 2.66 2.77 0.00 0.00 6.65 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 9.56 4.79 0.00 2.75 2.70 0.00 0.00 7.66 8.37 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 68 D 9.24 4.36 0.00 2.82 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 9.39 4.45 0.00 2.67 2.83 0.00 0.00 6.92 6.68 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 70 K 8.19 4.13 0.00 1.92 1.73 0.00 1.59 0.00 0.00 2.00 0.00 0.00 3.27 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.42 7.81 71 T 8.24 3.95 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 0.95 0.00 0.00 72 W 6.74 4.16 0.00 3.44 3.50 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 73 D 8.64 4.86 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.10 4.95 0.00 1.76 1.62 0.00 1.67 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.30 7.81 75 N 9.60 5.65 0.00 3.07 3.13 0.00 0.00 6.61 7.28 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 76 V 8.12 3.43 2.45 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 0.96 0.00 0.00 1.14 0.00 0.00 77 K 8.01 3.51 0.00 1.76 1.56 0.00 1.33 0.00 0.00 1.39 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 0.85 7.81 78 D 7.97 4.34 0.00 2.61 2.63 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 79 L 6.76 3.85 0.00 0.27 0.15 -0.02 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.83 4.22 0.00 2.68 2.81 0.00 0.00 7.09 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 81 Y 7.90 5.01 0.00 2.75 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 82 E 8.50 4.87 0.00 1.83 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 2.17 2.24 0.00 83 L 8.84 5.08 0.00 1.29 1.31 1.04 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.73 4.81 0.00 1.65 1.40 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.33 4.67 1.78 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.87 0.94 0.00 0.00 86 V 8.20 4.66 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 1.05 0.00 0.00 0.83 0.00 0.00 87 S 8.80 4.81 0.00 3.52 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 88 Q 10.40 4.43 0.00 2.32 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 89 F 8.45 4.70 0.00 3.36 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 7.05 4.21 4.22 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 0.41 0.00 0.00 91 L 7.88 4.00 0.00 1.39 1.39 1.03 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.03 4.91 0.00 3.20 3.15 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 93 G 7.96 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 0.00 0.00 0.00 0.00 94 N 9.08 4.48 0.00 2.81 2.72 0.00 0.00 6.59 6.83 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 95 T 8.42 4.43 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 1.20 0.00 0.00 96 K 7.45 3.69 0.00 1.80 1.67 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.27 7.81 97 K 7.71 4.14 0.00 1.77 1.67 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.35 1.00 7.81 98 G 8.74 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 0.00 0.00 0.00 99 N 8.31 4.86 0.00 2.71 2.82 0.00 0.00 6.56 7.61 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 0.00 100 K 7.68 4.48 0.00 1.71 1.53 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 0.96 7.81 101 P 0.00 4.37 0.00 1.59 2.02 0.00 3.69 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 102 D 8.33 4.27 0.00 2.71 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.06 5.62 0.00 3.25 3.27 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 0.00 104 H 7.95 4.34 0.00 3.58 3.39 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.87 3.90 0.00 1.66 1.41 1.06 0.81 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 0.00 106 A 7.72 4.09 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 0.00 107 K 8.27 4.03 0.00 1.57 1.62 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.39 1.27 7.81 108 E 8.98 4.06 0.00 1.98 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 2.35 2.27 0.00 109 P 0.00 4.25 0.00 2.22 2.08 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 110 N 10.51 4.27 0.00 2.72 2.84 0.00 0.00 7.16 7.54 0.00 0.00 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 E 8.31 3.94 0.00 2.18 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 2.31 2.43 0.00 112 A 8.65 4.20 1.70 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 0.00 113 L 8.38 2.44 0.00 1.04 1.62 0.36 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.60 3.75 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.08 1.04 0.00 0.00 115 F 8.69 4.32 0.00 3.33 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 0.00 116 Y 8.90 4.26 0.00 3.50 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 0.00 117 N 8.25 4.44 0.00 3.01 2.90 0.00 0.00 7.09 9.25 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 0.00 118 K 8.03 3.87 0.00 1.88 1.56 0.00 0.92 0.00 0.00 1.31 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.38 7.81 119 I 7.67 3.65 1.92 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.37 0.70 0.00 0.00 120 I 7.82 3.98 1.97 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.98 0.94 0.00 0.00 121 D 8.41 4.32 0.00 2.87 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.44 4.01 0.00 2.39 2.15 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 2.18 2.26 0.00 123 F 8.65 4.31 0.00 3.29 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 0.00 124 K 8.03 4.18 0.00 1.92 1.91 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.81 7.81 125 K 8.18 4.17 0.00 1.94 1.91 0.00 1.91 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.76 7.81 126 Q 8.73 4.20 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 127 Y 9.09 4.59 0.00 2.93 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 8.91 4.97 0.00 2.73 2.38 0.00 0.00 6.51 8.49 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 0.00 129 D 8.75 4.36 0.00 2.64 2.67 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 0.00 0.00 0.00 0.00 130 D 9.04 4.47 0.00 2.64 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 0.00 131 K 7.69 3.91 0.00 0.79 1.39 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.77 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.21 0.67 7.81 132 I 7.29 4.64 1.80 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 1.42 0.82 0.76 0.00 0.00 133 K 8.79 4.78 0.00 1.66 1.65 0.00 1.43 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.36 7.81 134 I 7.61 5.10 2.11 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.28 0.95 0.00 0.00 135 G 8.10 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.40 4.33 0.00 1.83 1.76 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.66 1.47 7.81 137 F 8.80 3.70 0.00 2.69 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 0.00 138 G 8.17 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 0.00 139 N 7.58 5.03 0.00 2.96 2.76 0.00 0.00 6.82 8.53 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 0.00 140 Y 8.71 4.00 0.00 2.97 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 0.00 141 M 7.85 4.81 0.00 1.86 1.77 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.46 0.00 142 N 9.07 4.69 0.00 2.89 2.70 0.00 0.00 6.98 7.84 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 0.00 143 I 8.26 4.94 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.75 0.96 0.00 0.00 144 D 8.79 4.72 0.00 2.70 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 0.00 145 V 8.30 4.66 2.14 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 0.88 0.00 0.00 1.06 0.00 0.00 146 T 8.94 4.37 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 0.00 147 N 8.65 4.82 0.00 2.62 2.77 0.00 0.00 6.99 8.06 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 0.00 148 D 8.95 4.24 0.00 2.63 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 0.00 149 G 7.91 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 0.00 0.00 0.00 0.00 150 P 0.00 4.40 0.00 2.06 2.00 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 151 V 8.15 4.40 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 1.12 0.00 0.00 1.00 0.00 0.00 152 T 8.65 5.09 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 1.24 0.00 0.00 153 I 9.05 4.61 1.88 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 1.10 1.04 0.89 0.00 0.00 154 Y 8.44 5.21 0.00 2.93 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 0.00 155 I 7.21 4.38 1.73 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 1.09 0.72 1.00 0.00 0.00 156 D 8.50 5.19 0.00 2.81 2.86 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 0.00 157 T 8.92 3.84 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 1.30 0.00 0.00 158 H 8.32 4.76 0.00 3.32 3.29 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.50 4.26 0.00 2.83 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 * Residues marked with a * may have inaccurate shift predictions.