NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1732 8.0549 120.3164 61.4567 32.7493 174.5913 2 L 4.3582 8.3445 123.5890 51.2523 43.3621 175.6226 3 S 4.4610 10.2087 118.1411 57.8394 66.0719 174.8587 4 E 4.2185 8.8692 122.9980 59.7234 28.8986 179.3169 5 G 3.7266 8.1571 104.9472 47.6075 0.0000 175.3988 6 E 3.9742 7.9651 120.5035 59.0881 29.5458 179.0540 7 W 4.3031 8.2580 119.0959 59.9255 28.9835 178.5550 8 Q 4.1213 8.3060 117.9108 59.1321 28.2293 178.8242 9 L 3.8396 7.6997 119.1663 57.8469 41.5540 179.8284 10 V 3.7926 7.8223 118.0692 66.0745 31.4060 178.0557 11 L 4.2737 8.7450 118.9542 57.5788 41.3165 178.8374 12 H 4.1761 8.9829 119.1058 59.0707 30.1346 177.2832 13 V 3.6635 8.5986 120.3774 65.8696 31.4782 177.4708 14 W 3.9280 8.5331 128.0472 60.6706 30.1502 177.3938 15 A 3.9604 7.6476 119.2297 55.3856 18.1669 179.4955 16 K 3.8945 7.9029 116.6520 59.4987 32.0483 179.8003 17 V 2.7760 6.9709 117.9358 65.5694 31.0729 177.5428 18 E 3.9100 7.5230 116.7433 58.3351 29.3067 178.5293 19 A 4.2270 7.3722 119.9994 53.7040 20.0327 177.5373 20 D 4.6542 7.7728 116.6739 51.9889 42.3862 175.5237 21 V 3.5084 7.9529 123.1653 65.6391 32.1359 176.7091 22 A 4.0297 8.0446 120.1620 55.1895 18.0735 179.7270 23 G 4.0468 8.0385 105.0263 47.7464 0.0000 175.6664 24 H 4.2099 8.7918 119.1884 58.0884 28.6565 178.0383 25 G 3.6167 8.5501 108.2025 48.0752 0.0000 175.7329 26 Q 3.9301 8.0765 121.2100 58.4937 28.6737 178.6560 27 D 4.3098 7.8032 119.8416 57.3098 40.8041 178.9301 28 I 3.6386 7.7000 120.1693 64.5711 37.1073 178.5692 29 L 3.6214 7.5569 119.1402 57.5216 41.2751 179.6423 30 I 3.7108 7.9656 120.3507 64.0095 36.9900 178.3665 31 R 3.8034 8.0666 119.9045 59.1680 29.8153 178.3353 32 L 3.8938 7.5827 119.9728 58.2991 41.7572 178.9225 33 F 4.6238 8.1841 120.3175 61.2336 38.5990 178.5201 34 K 4.0568 8.2085 122.7369 59.7746 31.6581 180.8555 35 S 4.6177 8.3408 114.3394 59.5841 64.4582 174.5146 36 H 4.8359 8.2477 119.3146 52.0416 30.2807 171.8439 37 P 4.5631 0.0000 0.0000 64.4977 31.4336 177.5586 38 E 4.5727 8.5903 117.7219 58.8712 29.3745 179.1057 39 T 3.8406 8.0831 110.7962 64.2388 68.7665 176.3495 40 L 3.7378 8.4793 123.9266 57.9648 42.0180 178.4765 41 E 3.9920 7.9456 118.3324 59.4431 29.1723 179.1487 42 K 4.4061 8.0844 116.6080 56.9076 32.3196 176.7899 43 F 4.5546 8.1531 119.2966 55.5495 39.4021 175.9326 44 D 4.4501 8.6514 129.4015 57.7927 40.8263 179.2964 45 R 4.0719 7.8084 119.5499 60.3024 29.6885 180.2150 46 F 5.3545 8.0644 116.5127 59.0815 40.3227 178.1204 *47 K 3.8668 7.8047 119.7569 57.7638 31.4692 182.1476 48 H 4.6054 8.3037 110.5279 55.9383 28.6259 175.1779 49 L 4.2367 8.0858 124.2345 54.4979 40.7343 177.2405 50 K 4.2719 7.9277 126.6814 55.9645 32.3676 174.5158 51 T 4.7320 7.3577 106.2133 59.5732 72.8447 173.9746 52 E 3.8794 8.8134 121.5674 59.6027 29.3867 178.8340 53 A 3.9454 7.8794 119.8774 55.4151 18.3416 179.3885 54 E 3.9469 7.9195 115.6302 59.3737 29.7142 179.2297 55 M 4.1168 8.5289 119.5683 58.4937 31.8738 178.7228 56 K 3.7996 8.4206 117.3557 59.2432 32.2929 178.3148 57 A 4.3742 7.3809 118.4323 51.6163 19.2692 177.1807 58 S 4.2100 7.7436 116.6509 58.3184 63.2103 175.4822 59 E 4.0555 8.8728 127.4597 61.2372 29.5567 175.4350 60 D 4.7796 8.1244 119.1506 57.1480 40.8709 178.5916 61 L 3.4570 7.9261 120.9036 57.7641 42.0871 178.8531 62 K 3.8459 7.6614 119.6924 59.4817 32.1522 178.8161 63 K 3.9738 8.5445 119.1339 59.7948 32.0895 178.7902 64 H 4.3582 8.7539 118.9893 59.2966 29.8443 177.4694 65 G 3.6562 8.6770 107.9543 47.7875 0.0000 175.8568 66 V 3.6189 7.7713 120.4257 66.0776 31.5527 178.0806 67 T 3.8878 8.0314 115.5815 66.7984 68.2779 176.4697 68 V 3.5719 7.6667 119.5720 66.1760 31.5909 178.0562 69 L 4.3022 8.0360 118.6104 58.0540 41.4672 179.7691 70 T 3.9354 8.3945 115.8752 66.5753 68.3179 176.4336 71 A 3.9414 7.9822 122.4521 55.2038 18.4421 179.1646 72 L 3.6944 8.3628 119.3959 58.3917 42.0720 179.4655 73 G 3.1912 8.4717 105.5601 47.6345 0.0000 175.5361 74 A 4.0083 7.6760 122.1528 54.6971 18.5433 179.6869 75 I 3.7429 7.3448 118.5672 64.6584 37.2869 178.4424 76 L 3.9914 7.8127 120.0791 57.7982 41.2171 179.1512 77 K 4.1118 7.4044 114.5764 57.1969 32.2568 178.3129 78 K 4.0037 8.1680 119.6826 55.4321 33.3231 175.9925 79 K 2.0000 7.9483 118.2661 56.2941 29.4954 175.5038 80 G 3.9715 7.6141 104.9854 45.7759 0.0000 172.5237 81 H 4.5414 7.7355 119.0637 55.3073 27.8591 174.7776 82 H 5.5941 7.3082 112.6929 55.4935 29.6188 177.5093 83 E 3.9859 8.5778 120.8708 62.0393 29.0765 181.7465 84 A 4.2135 8.0601 119.8480 55.4259 18.6640 179.1781 85 E 4.0787 8.1332 116.0820 59.3960 29.6100 179.3237 86 L 3.9956 8.4441 120.8854 57.7557 42.1961 178.4624 87 K 3.8209 8.3504 120.2283 59.5816 32.0819 176.7335 88 P 4.3321 0.0000 0.0000 65.4944 31.1690 178.6363 89 L 4.1237 8.1480 117.8386 57.5194 41.5968 179.1702 90 A 4.2568 8.0036 120.3134 55.3160 18.4140 179.2732 91 Q 3.9432 8.2135 116.7440 59.3920 28.8534 179.4794 92 S 4.2884 8.3266 115.1398 61.2859 63.0797 176.4086 93 G 3.8049 8.4481 108.6152 46.5494 0.0000 175.8722 94 A 2.9314 8.1349 123.1098 54.6267 18.5726 179.2892 95 T 3.9261 7.8170 106.9644 64.1424 69.5286 176.3436 96 K 4.0412 7.4527 119.5451 58.5126 32.8251 177.9391 97 H 4.2975 8.0914 115.0228 56.7562 29.3451 175.4657 98 K 3.0244 7.2481 117.3026 56.6332 28.8042 174.4176 99 I 4.4348 7.2203 118.7075 58.6213 39.1310 174.5343 100 P 4.5945 0.0000 0.0000 62.1417 32.3380 177.1774 101 I 3.6675 8.2243 121.0895 64.7859 36.9962 178.6567 102 K 3.8718 7.8232 119.7169 59.7242 32.0666 178.3671 103 Y 4.1851 8.1941 117.1781 60.8118 37.7079 178.4097 104 L 4.2695 7.8102 119.6649 57.3776 41.7334 179.0636 105 E 4.0523 7.9907 118.9184 59.2896 29.4066 178.9328 106 F 4.4936 7.9674 117.7303 60.9997 39.0105 177.4435 107 I 3.7773 7.8936 117.4463 64.4092 37.8190 177.9304 108 S 4.2323 8.2621 115.8273 61.7601 62.6368 176.5553 109 E 4.0477 8.6841 121.1770 59.4420 29.2581 179.2229 110 A 4.0214 8.2639 120.7510 55.1661 18.3417 179.4702 111 I 3.6681 8.0090 118.3698 64.8149 37.1735 178.6251 112 I 3.8619 7.7702 120.0678 64.6467 36.9412 177.8883 113 H 4.1194 8.4888 119.1409 59.4843 29.7515 177.4071 114 V 3.5166 8.3089 120.2717 66.0192 31.3168 177.9733 115 L 3.8494 8.0620 118.9207 57.6785 41.1090 178.8532 116 H 4.4403 8.1186 117.9254 59.1865 29.8754 177.2521 117 S 4.1595 7.9683 116.6099 61.3715 62.7243 176.2794 118 R 4.0717 7.6880 119.4634 57.6324 30.9794 176.4301 119 H 4.9917 8.0518 115.6189 54.2197 30.0376 173.2613 120 P 4.1928 0.0000 0.0000 65.9131 31.5432 179.5400 121 G 3.7813 8.1519 104.3043 47.6698 0.0000 173.5128 122 D 4.9501 8.4788 118.1474 54.1206 42.2187 176.0221 123 F 5.0696 8.2199 120.3312 56.3539 39.3886 173.9335 124 G 3.9420 7.6059 109.5765 43.5272 0.0000 171.5582 125 A 3.8729 8.4781 121.0736 55.3995 18.1867 179.2403 126 D 4.2051 8.0676 116.5291 56.9803 39.2764 178.6212 127 A 3.9937 7.8304 122.5082 54.2094 18.4079 179.2213 128 Q 3.1084 7.8598 118.6217 58.7912 28.9972 178.5596 129 G 3.4833 8.1899 106.9546 47.5823 0.0000 175.5448 130 A 3.8746 7.9190 123.2488 55.1476 18.3033 179.4627 131 M 4.0538 8.2175 116.8509 58.4920 32.2801 177.9065 132 N 4.2983 8.2099 117.3984 56.5900 39.1145 176.8970 133 K 3.8577 7.9706 119.4747 59.5179 32.1905 179.1300 134 A 3.8972 7.7335 120.8538 55.2577 18.2635 179.7359 135 L 4.0945 8.2229 117.5230 57.6056 41.5480 179.4566 136 E 3.9481 8.3187 119.7281 59.0197 29.6502 178.3410 137 L 3.9614 8.3397 120.8867 58.2120 42.1584 178.5217 138 F 4.2042 8.3248 120.3855 61.7542 39.3303 177.3936 139 R 3.6474 8.2738 119.8769 59.5817 29.7655 179.9504 140 K 3.9893 8.2552 123.8136 59.6431 31.7305 181.7243 141 D 4.4626 8.1075 120.0932 57.2686 40.8263 178.6785 142 I 3.3803 7.4748 118.8573 63.7507 37.8618 177.6152 143 A 3.6445 7.6815 121.3280 55.0847 18.1893 179.4494 144 A 3.9216 7.8354 119.1319 55.3646 18.6083 180.0453 145 K 3.9977 8.1086 116.9455 59.6309 32.0070 179.1903 146 Y 4.4821 8.5211 117.4547 61.1831 37.7677 178.8097 147 K 4.0117 8.1485 119.5206 59.4446 32.0157 179.1215 148 E 3.8809 8.0922 116.2552 58.5040 29.3270 178.0799 149 L 4.6354 7.3925 116.7453 54.0826 42.2957 176.9992 150 G 3.9350 8.7978 107.9876 45.7032 0.0000 173.4294 151 Y 4.5766 9.3293 120.0692 57.7689 39.9500 175.5397 152 Q 4.3278 7.9641 120.3005 56.5206 27.9949 172.8672 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 V 8.05 4.17 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 0.95 0.00 0.00 1.02 0.00 0.00 2 L 8.34 4.36 0.00 0.78 0.78 0.64 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 3 S 10.21 4.46 0.00 4.07 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 4 E 8.87 4.22 0.00 2.19 2.06 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 2.44 2.54 0.00 5 G 8.16 3.73 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 0.00 0.00 0.00 6 E 7.97 3.97 0.00 2.08 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 2.21 2.26 0.00 7 W 8.26 4.30 0.00 3.57 3.24 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 8 Q 8.31 4.12 0.00 2.36 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.69 0.00 9 L 7.70 3.84 0.00 1.86 1.78 0.90 0.81 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 10 V 7.82 3.79 2.42 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 1.31 0.00 0.00 0.87 0.00 0.00 11 L 8.75 4.27 0.00 1.82 1.81 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.98 4.18 0.00 3.16 3.66 0.00 5.95 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.60 3.66 2.29 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 0.90 0.00 0.00 1.24 0.00 0.00 14 W 8.53 3.93 0.00 3.72 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 15 A 7.65 3.96 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 16 K 7.90 3.89 0.00 1.39 1.49 0.00 1.59 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.44 1.36 7.81 17 V 6.97 2.78 0.92 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 0.21 0.00 0.00 0.13 0.00 0.00 18 E 7.52 3.91 0.00 2.07 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 2.34 2.26 0.00 19 A 7.37 4.23 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 20 D 7.77 4.65 0.00 2.72 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.95 3.51 2.06 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 0.98 0.00 0.00 0.90 0.00 0.00 22 A 8.04 4.03 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.04 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 0.00 0.00 0.00 24 H 8.79 4.21 0.00 3.18 3.26 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.55 3.62 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 26 Q 8.08 3.93 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.66 0.00 27 D 7.80 4.31 0.00 2.75 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 28 I 7.70 3.64 1.99 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 1.51 0.81 0.90 0.00 0.00 29 L 7.56 3.62 0.00 1.40 1.00 0.86 0.73 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 30 I 7.97 3.71 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.83 0.89 0.00 0.00 31 R 8.07 3.80 0.00 1.96 2.14 0.00 3.04 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 32 L 7.58 3.89 0.00 1.75 1.48 1.06 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.18 4.62 0.00 3.03 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 34 K 8.21 4.06 0.00 1.84 1.73 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 35 S 8.34 4.62 0.00 3.57 3.83 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 0.00 0.00 0.00 36 H 8.25 4.84 0.00 3.10 3.05 0.00 5.63 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.56 0.00 2.17 2.11 0.00 3.84 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 2.11 1.99 0.00 38 E 8.59 4.57 0.00 2.41 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 2.50 2.33 0.00 39 T 8.08 3.84 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 0.79 0.00 0.00 40 L 8.48 3.74 0.00 1.52 1.72 -0.61 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.95 3.99 0.00 2.41 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 2.40 2.46 0.00 42 K 8.08 4.41 0.00 1.21 1.48 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.24 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.65 1.77 7.81 43 F 8.15 4.55 0.00 3.03 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 44 D 8.65 4.45 0.00 2.59 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 45 R 7.81 4.07 0.00 1.91 1.85 0.00 3.23 0.00 0.00 3.22 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.29 0.00 46 F 8.06 5.35 0.00 2.83 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *47 K 7.80 3.87 0.00 1.74 1.76 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.28 7.81 48 H 8.30 4.61 0.00 3.28 3.43 0.00 5.48 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.09 4.24 0.00 1.75 1.63 0.83 0.59 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 50 K 7.93 4.27 0.00 1.91 1.71 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.24 7.81 51 T 7.36 4.73 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 1.19 0.00 0.00 52 E 8.81 3.88 0.00 2.03 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 2.36 2.38 0.00 53 A 7.88 3.95 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 54 E 7.92 3.95 0.00 2.02 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 2.31 0.00 55 M 8.53 4.12 0.00 1.97 2.23 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 56 K 8.42 3.80 0.00 1.80 1.86 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.47 1.65 7.81 57 A 7.38 4.37 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 58 S 7.74 4.21 0.00 3.82 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 59 E 8.87 4.06 0.00 2.02 1.94 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 2.31 1.96 0.00 60 D 8.12 4.78 0.00 2.83 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 61 L 7.93 3.46 0.00 1.27 1.63 0.67 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.66 3.85 0.00 1.87 1.95 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.54 3.97 0.00 2.10 1.92 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.51 7.81 64 H 8.75 4.36 0.00 3.58 3.82 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.68 3.66 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 0.00 0.00 0.00 66 V 7.77 3.62 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 1.13 0.00 0.00 1.00 0.00 0.00 67 T 8.03 3.89 4.49 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 1.26 0.00 0.00 68 V 7.67 3.57 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 1.11 0.00 0.00 0.92 0.00 0.00 69 L 8.04 4.30 0.00 1.82 1.90 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.39 3.94 4.47 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 1.25 0.00 0.00 71 A 7.98 3.94 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 72 L 8.36 3.69 0.00 1.57 1.65 0.19 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.47 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 0.00 0.00 0.00 74 A 7.68 4.01 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 75 I 7.34 3.74 1.87 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 1.53 0.73 0.87 0.00 0.00 76 L 7.81 3.99 0.00 1.12 1.63 0.25 0.71 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 77 K 7.40 4.11 0.00 1.64 1.76 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.45 7.81 78 K 8.17 4.00 0.00 1.78 1.77 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.85 7.81 79 K 7.95 2.00 0.00 1.21 0.74 0.00 1.47 0.00 0.00 1.35 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.30 0.69 7.81 80 G 7.61 3.97 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 0.00 0.00 0.00 81 H 7.74 4.54 0.00 3.18 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.31 5.59 0.00 3.30 3.47 0.00 5.67 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.58 3.99 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.97 0.00 84 A 8.06 4.21 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 85 E 8.13 4.08 0.00 2.28 2.04 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 2.40 2.44 0.00 86 L 8.44 4.00 0.00 1.90 1.85 0.83 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.35 3.82 0.00 2.05 1.84 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.54 7.81 88 P 0.00 4.33 0.00 2.23 2.11 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 89 L 8.15 4.12 0.00 1.97 1.81 1.12 0.74 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 90 A 8.00 4.26 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 91 Q 8.21 3.94 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 92 S 8.33 4.29 0.00 4.00 4.13 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 93 G 8.45 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 94 A 8.13 2.93 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.82 3.93 4.13 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 1.15 0.00 0.00 96 K 7.45 4.04 0.00 1.57 1.48 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.29 1.34 7.81 97 H 8.09 4.30 0.00 3.08 3.25 0.00 5.79 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.25 3.02 0.00 1.80 1.49 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.70 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.01 1.21 7.81 99 I 7.22 4.43 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.95 1.19 0.00 0.00 100 P 0.00 4.59 0.00 1.90 1.96 0.00 3.42 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 0.57 1.21 0.00 101 I 8.22 3.67 1.80 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.91 0.83 0.00 0.00 102 K 7.82 3.87 0.00 1.69 1.54 0.00 1.13 0.00 0.00 1.92 0.00 0.00 3.23 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.32 7.81 103 Y 8.19 4.19 0.00 3.24 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.81 4.27 0.00 1.87 1.79 0.77 1.16 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 0.00 105 E 7.99 4.05 0.00 2.10 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 2.36 2.46 0.00 106 F 7.97 4.49 0.00 3.28 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 0.00 107 I 7.89 3.78 2.03 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 1.59 1.41 1.13 0.00 0.00 108 S 8.26 4.23 0.00 4.24 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 0.00 109 E 8.68 4.05 0.00 2.09 2.09 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 2.83 2.67 0.00 110 A 8.26 4.02 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 0.00 111 I 8.01 3.67 2.17 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 1.62 0.75 1.05 0.00 0.00 112 I 7.77 3.86 2.11 0.00 0.00 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 1.67 0.97 1.11 0.00 0.00 113 H 8.49 4.12 0.00 3.31 3.55 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.31 3.52 2.06 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 0.89 0.00 0.00 0.96 0.00 0.00 115 L 8.06 3.85 0.00 1.04 0.56 0.79 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.12 4.44 0.00 3.40 3.55 0.00 5.95 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 0.00 117 S 7.97 4.16 0.00 3.75 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 0.00 118 R 7.69 4.07 0.00 1.68 1.50 0.00 3.10 0.00 0.00 2.93 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 119 H 8.05 4.99 0.00 3.06 3.16 0.00 5.66 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 0.00 120 P 0.00 4.19 0.00 2.16 2.09 0.00 3.63 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 121 G 8.15 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 0.00 122 D 8.48 4.95 0.00 2.79 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 0.00 123 F 8.22 5.07 0.00 2.95 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 0.00 124 G 7.61 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 0.00 125 A 8.48 3.87 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 0.00 126 D 8.07 4.21 0.00 2.91 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 0.00 127 A 7.83 3.99 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 0.00 128 Q 7.86 3.11 0.00 1.81 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.07 1.16 0.00 129 G 8.19 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.92 3.87 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 0.00 131 M 8.22 4.05 0.00 2.41 2.35 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.85 0.00 132 N 8.21 4.30 0.00 3.08 2.85 0.00 0.00 7.17 6.58 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 0.00 133 K 7.97 3.86 0.00 1.83 1.68 0.00 1.60 0.00 0.00 1.48 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.59 7.81 134 A 7.73 3.90 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 0.00 135 L 8.22 4.09 0.00 1.77 1.84 1.02 0.77 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 0.00 136 E 8.32 3.95 0.00 2.29 2.00 0.00 0.00 0.00 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 2.33 0.00 137 L 8.34 3.96 0.00 1.82 1.92 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.32 4.20 0.00 3.08 3.34 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 0.00 139 R 8.27 3.65 0.00 2.01 1.87 0.00 3.18 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.01 0.00 140 K 8.26 3.99 0.00 1.76 1.81 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 141 D 8.11 4.46 0.00 2.88 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 I 7.47 3.38 1.52 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 1.12 0.49 0.25 0.00 0.00 143 A 7.68 3.64 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.84 3.92 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 0.00 145 K 8.11 4.00 0.00 2.02 1.93 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.35 7.81 146 Y 8.52 4.48 0.00 3.14 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 0.00 147 K 8.15 4.01 0.00 1.99 1.87 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.68 7.81 148 E 8.09 3.88 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.38 0.00 149 L 7.39 4.64 0.00 1.83 1.71 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.80 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 0.00 151 Y 9.33 4.58 0.00 2.54 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 0.00 152 Q 7.96 4.33 0.00 2.13 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.42 0.00 0.00 0.00 0.00 0.00 1.16 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.