NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0765 8.1633 120.7305 55.1839 33.9359 173.8511 2 R 4.8431 8.9237 121.6005 51.7342 33.8738 169.4333 3 V 4.9651 8.6199 123.4188 59.8552 35.2063 174.1805 4 V 4.8272 9.1085 124.8890 61.5339 33.4246 174.1952 5 I 5.0406 8.7790 129.1324 59.7148 39.7986 174.7090 6 Q 5.7612 8.8463 124.9766 52.9445 32.7797 174.6566 7 R 4.4191 8.5675 123.9989 56.3823 31.2459 175.4269 8 V 5.0077 9.0669 120.1023 59.8509 34.4657 176.6712 9 K 4.4253 8.6647 121.8419 57.0338 33.0369 177.0665 10 G 4.2245 7.6511 106.2885 45.6740 0.0000 171.9987 11 A 5.7146 8.3944 121.7635 51.0044 23.5538 176.0092 12 I 4.7423 8.2026 119.9414 59.6933 40.9557 173.7377 13 L 4.9072 8.9935 130.6986 54.0555 43.5770 175.6215 14 S 5.2651 9.0146 120.9222 56.9937 67.6011 173.3524 15 V 5.0481 8.6139 114.6426 59.1377 35.9489 175.3616 16 R 4.1987 8.1016 118.9943 57.2315 29.7646 176.7188 17 K 4.0521 8.5850 125.5259 58.7330 33.9144 177.6398 *25 K 4.1244 7.9043 124.2322 54.9273 32.8796 178.6298 26 E 4.2508 8.7049 123.8219 56.1149 30.9175 172.4055 27 L 4.9139 8.3130 121.3874 52.8645 46.3117 174.7808 28 E 4.6519 9.4662 123.9655 54.4364 31.8907 174.8212 29 I 4.3257 8.4392 128.1505 61.4971 37.2520 175.0641 30 I 4.3148 8.4740 127.5286 61.8021 39.7842 175.8717 31 S 4.9076 7.8996 116.0572 56.6748 66.8704 172.9188 32 E 5.2827 8.6222 122.5408 54.7276 32.9349 174.2612 33 I 4.7939 8.6868 118.1761 58.6089 41.1328 174.7208 34 K 5.1076 9.1770 131.7532 55.8062 31.1289 177.3040 35 N 4.2503 8.5947 123.5432 54.3842 39.6220 174.0713 36 G 4.8298 6.9507 108.2072 46.0839 0.0000 171.5945 37 L 5.3035 8.2746 122.1816 52.9713 45.7148 175.4359 38 I 4.5562 8.5255 123.9697 59.8183 40.1903 174.1481 39 C 5.0303 8.4643 126.0974 57.9283 31.4114 173.3113 40 F 4.9569 9.2487 125.0401 56.7000 39.9227 174.9922 41 L 5.0711 9.5989 128.0925 53.3369 44.0554 175.2741 42 G 4.4511 9.6728 115.8221 45.1774 0.0000 171.6852 43 I 5.2051 8.8393 123.5348 59.5753 40.7346 173.7677 44 H 4.4355 9.4885 127.0023 53.8433 31.1730 175.6714 45 K 3.8359 8.1103 124.9614 58.5338 32.7826 177.0405 46 N 4.9174 7.9763 118.0430 52.5526 38.8343 174.7809 47 D 4.8859 7.5920 118.2660 52.8061 41.6210 177.6381 48 T 4.4801 8.2945 115.3960 60.5190 70.0485 175.5082 49 W 4.4954 8.9335 130.4942 60.4932 30.2919 177.5890 50 E 3.8875 7.9349 118.3458 59.2581 29.0092 178.5027 51 D 4.5426 7.9320 117.9737 57.4802 40.9901 178.4432 52 A 3.9743 8.2502 120.5188 55.5509 18.1866 179.3863 53 L 3.4667 7.2854 118.0039 57.7631 41.9858 178.3035 54 Y 4.1011 7.6988 119.6028 60.0494 38.6790 177.5457 55 I 3.5538 7.5514 120.4379 64.3528 37.4461 178.0393 56 I 2.8460 7.4041 120.5772 64.0883 36.6647 178.2652 57 R 3.6945 7.5705 119.2958 59.5243 29.8184 178.7063 58 K 3.8531 7.3895 117.5356 59.3426 31.8759 179.0522 59 C 4.1458 8.1731 116.5778 62.9238 28.1959 175.8168 60 L 4.2484 7.7535 118.6668 56.2601 41.4497 177.3516 61 N 4.9376 7.5350 113.5527 52.7190 40.9117 175.0729 62 L 4.0175 8.0118 119.1984 55.1157 41.9863 176.8031 63 R 4.8635 8.4674 122.3950 54.9760 29.0177 176.3807 64 L 5.1109 8.8479 120.5442 54.0013 43.3086 176.8546 65 W 4.7350 8.1727 119.0073 54.6639 31.3898 174.5737 66 N 4.9027 8.5450 119.4080 52.8525 39.1597 176.1378 67 N 4.4211 9.2289 124.4818 55.4683 37.9141 176.1064 68 D 4.4156 6.4000 123.4005 53.6327 39.2874 173.6229 69 N 4.5774 7.0228 130.8173 54.1796 40.8616 174.0065 70 K 4.6481 7.1001 117.8290 54.3159 34.6698 176.4264 71 T 4.2372 8.4478 112.7006 61.4569 70.1100 174.5616 72 W 4.0854 7.4630 118.7338 57.1994 26.6156 173.9254 73 D 4.8959 7.9756 117.3778 54.2249 44.1560 176.3644 74 K 4.8590 8.7973 117.7353 54.5357 35.0764 176.0533 75 N 5.5047 9.0270 121.5230 50.6756 40.1432 175.9387 76 V 3.4790 8.6229 117.0482 66.0366 31.2745 177.9694 77 K 3.6614 8.0555 117.9960 59.6416 31.7718 178.9370 78 D 3.8847 8.2292 117.0432 56.7658 40.6883 178.0417 79 L 4.0486 6.7681 114.7973 52.7716 42.3143 175.5328 80 N 4.2114 8.3218 116.6578 53.7584 37.7692 173.2737 81 Y 5.0101 8.0764 114.2655 57.0720 40.3960 174.9824 82 E 5.0927 8.8405 119.1116 55.0536 33.1734 175.5635 83 L 5.2688 8.8807 120.0836 53.0894 46.5315 175.6202 84 L 4.9685 8.6727 125.2114 53.4130 44.1195 175.0866 85 I 4.5095 8.3167 128.8699 60.3331 38.5720 175.2834 86 V 4.3931 8.8068 128.0007 60.6124 34.0904 174.5857 87 S 4.4783 8.5044 123.3972 58.7767 62.8858 173.7883 88 Q 4.3982 9.3002 126.7670 53.5060 29.8963 175.9448 89 F 4.4100 8.3914 119.8871 59.4359 38.7030 177.7629 90 T 3.9318 6.7198 109.8688 62.6514 68.5064 175.7469 91 L 4.0162 7.4604 122.5730 57.0905 41.8130 177.6088 92 F 4.6776 8.0438 116.0384 56.9183 38.8966 175.5465 93 G 3.6564 7.9483 110.4540 46.1121 0.0000 172.7470 94 N 4.7382 8.6672 125.8025 52.2583 39.8867 175.4355 95 T 4.7526 8.1793 112.4755 61.0211 70.2996 175.0133 96 K 4.0222 8.2137 121.9531 59.9010 32.3289 177.8206 97 K 3.9642 8.0291 118.1733 58.3169 32.5573 176.1018 98 G 3.9583 7.2925 106.9354 46.1409 0.0000 172.8499 99 N 4.4879 8.8556 116.6365 54.1602 39.5646 175.1802 100 K 4.2135 7.7417 119.1160 54.2104 30.9871 173.3238 101 P 4.3918 0.0000 0.0000 61.9595 32.3621 175.8680 102 D 4.5499 8.0919 121.6491 51.7086 41.5544 176.1499 103 F 5.5470 8.2158 119.6813 56.7523 38.6571 174.9316 104 H 4.3723 8.1759 119.2976 58.3621 29.6951 176.8584 105 L 4.2083 7.9169 116.6110 55.1496 42.7092 176.5169 106 A 4.3985 7.8291 122.2791 50.8747 19.1667 176.8725 107 K 3.5962 8.5101 125.0549 56.7928 32.8496 175.9910 108 E 3.7799 9.0700 127.2877 56.4077 30.3235 175.7515 109 P 4.4184 0.0000 0.0000 65.9188 30.9551 178.0888 110 N 4.3024 8.7810 115.0637 56.7677 38.6020 177.4514 111 E 4.1162 8.2230 118.9608 58.7840 29.5011 179.0108 112 A 4.1180 8.3690 121.5887 55.2247 18.4401 179.0301 113 L 2.9448 7.9165 118.7401 58.2319 41.9123 178.9521 114 I 3.6576 7.2495 118.4499 64.5932 37.0996 177.8358 115 F 4.0403 8.4082 120.8743 61.5866 39.1736 176.1191 116 Y 4.5352 8.9913 119.3814 61.3949 38.5451 178.2024 117 N 3.9439 8.6093 117.3526 56.0728 38.5564 177.3921 118 K 3.9990 8.3072 121.3962 59.1749 32.2483 179.0357 119 I 3.7720 8.5585 120.5692 64.6262 37.1256 178.3999 120 I 3.8873 8.3438 121.2012 64.5745 36.8138 178.3418 121 D 4.3794 8.6168 120.2062 57.1801 40.6077 178.4102 122 E 4.0135 8.4434 119.9130 59.3079 29.6988 178.3886 123 F 4.0406 8.6909 118.2276 60.9061 38.8187 177.8685 124 K 4.0072 8.2523 117.3589 59.6631 31.7958 179.5322 125 K 3.9894 8.1362 118.0360 58.9737 32.1373 177.7981 126 Q 4.3242 8.3683 118.8643 57.3679 29.2760 173.9593 127 Y 4.6837 8.5341 118.7458 55.9007 41.9164 174.0497 128 N 4.4551 6.9142 115.5536 53.3916 43.4524 175.0071 129 D 4.5901 8.6715 124.6795 54.4295 39.9747 176.4799 130 D 4.4293 8.5315 119.7517 55.8406 41.5428 176.2861 131 K 4.4536 7.6831 116.2439 56.4634 34.5801 175.6067 132 I 4.5009 7.6546 121.3377 60.1768 37.9159 175.2716 133 K 4.7385 9.0668 127.7522 54.6133 34.6242 175.7416 134 I 4.7612 8.2372 115.9138 58.5537 40.2150 176.4670 135 G 4.2626 8.3756 117.7697 46.1524 0.0000 176.2037 136 K 4.5494 8.5870 127.6827 54.9983 34.4787 175.1245 137 F 3.7353 8.9130 126.7869 62.0944 39.5532 176.5458 138 G 3.9355 8.2242 109.0512 46.3614 0.0000 172.5470 139 N 5.0966 7.5550 116.9850 50.8496 40.7520 173.8032 140 Y 4.1150 8.5048 122.6858 58.3105 39.8956 174.6773 141 M 5.0614 7.1975 124.3486 53.3907 36.6918 174.1419 142 N 4.8006 9.4681 120.6522 52.0249 41.5736 173.3367 143 I 4.8428 8.3291 127.3510 59.7572 39.7477 175.7268 144 D 4.6450 8.8002 129.2049 53.3453 40.9683 175.3051 145 V 4.3329 8.1275 123.4271 61.8740 33.1917 175.5088 146 T 4.3427 8.7668 125.4933 62.5486 69.0829 173.5833 147 N 4.9364 8.5999 124.9992 52.7429 39.6720 175.2212 148 D 4.1915 10.1491 126.2323 55.6155 40.7834 174.3769 149 G 3.6253 8.6663 117.6773 44.2837 0.0000 171.4435 150 P 4.5940 0.0000 0.0000 60.3323 33.1760 175.5013 151 V 4.4261 8.0671 116.7479 61.6072 34.3191 173.9393 152 T 5.1314 8.7119 124.6107 61.9369 70.8363 173.6225 153 I 4.6175 8.6736 127.2372 59.6006 40.4550 174.0878 154 Y 5.1708 8.5306 125.3760 55.9359 41.6197 174.3508 155 I 4.3905 8.1284 126.8570 59.3550 40.5826 173.7132 156 D 5.1880 8.3554 126.6222 52.5997 42.9042 177.1432 157 T 3.9853 8.9693 116.7815 64.6919 69.2238 176.0632 158 H 4.4667 8.8702 118.3195 57.4894 28.6731 175.5986 159 D 4.6606 7.7422 118.5287 54.6242 41.3189 176.3483 160 I 4.2524 7.7791 122.8291 59.6875 39.0813 175.9638 161 N 4.2959 8.6069 123.3157 53.0938 37.3260 176.0844 162 L 4.0328 8.3907 123.3863 53.8120 40.9298 171.0967 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 5.08 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 8.92 4.84 0.00 1.29 1.58 0.00 2.21 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 3 V 8.62 4.97 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 0.65 0.00 0.00 0.99 0.00 0.00 4 V 9.11 4.83 2.35 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 1.03 0.00 0.00 1.10 0.00 0.00 5 I 8.78 5.04 1.88 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 1.25 0.61 0.91 0.00 0.00 6 Q 8.85 5.76 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 7 R 8.57 4.42 0.00 1.67 1.84 0.00 2.21 0.00 0.00 2.78 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.74 0.00 8 V 9.07 5.01 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 0.75 0.00 0.00 1.01 0.00 0.00 9 K 8.66 4.43 0.00 1.64 1.84 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.40 7.81 10 G 7.65 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 0.00 0.00 0.00 0.00 11 A 8.39 5.71 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 12 I 8.20 4.74 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 1.23 0.86 0.92 0.00 0.00 13 L 8.99 4.91 0.00 1.68 1.52 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.01 5.27 0.00 3.91 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 15 V 8.61 5.05 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 0.84 0.00 0.00 1.03 0.00 0.00 16 R 8.10 4.20 0.00 1.80 1.93 0.00 2.92 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 17 K 8.58 4.05 0.00 1.85 1.94 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.37 7.81 *25 K 7.90 4.12 0.00 1.59 1.71 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.03 7.81 26 E 8.70 4.25 0.00 1.65 1.86 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 2.31 1.92 0.00 27 L 8.31 4.91 0.00 1.50 1.69 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.47 4.65 0.00 2.00 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 2.23 2.27 0.00 29 I 8.44 4.33 1.88 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 1.24 0.66 0.92 0.00 0.00 30 I 8.47 4.31 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 1.25 0.74 0.97 0.00 0.00 31 S 7.90 4.91 0.00 3.76 3.67 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 32 E 8.62 5.28 0.00 1.91 1.74 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 2.17 2.41 0.00 33 I 8.69 4.79 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.17 0.95 0.00 0.00 34 K 9.18 5.11 0.00 1.71 1.42 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.53 7.81 35 N 8.59 4.25 0.00 1.59 1.42 0.00 0.00 6.73 7.59 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 36 G 6.95 4.83 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 0.00 0.00 0.00 37 L 8.27 5.30 0.00 1.66 1.57 1.10 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.53 4.56 1.74 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 1.43 0.84 0.00 0.00 39 C 8.46 5.03 0.00 2.81 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 9.25 4.96 0.00 2.94 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 41 L 9.60 5.07 0.00 1.80 1.77 1.31 1.32 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 42 G 9.67 4.45 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 0.00 43 I 8.84 5.21 2.00 0.00 0.00 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 1.52 0.97 0.84 0.00 0.00 44 H 9.49 4.44 0.00 2.92 3.27 0.00 5.60 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.11 3.84 0.00 1.74 1.83 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 1.23 7.81 46 N 7.98 4.92 0.00 2.77 2.83 0.00 0.00 6.86 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 7.59 4.89 0.00 2.44 2.46 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 48 T 8.29 4.48 4.38 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 1.27 0.00 0.00 49 W 8.93 4.50 0.00 3.37 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 50 E 7.93 3.89 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 51 D 7.93 4.54 0.00 3.12 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 52 A 8.25 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.29 3.47 0.00 1.54 1.52 0.44 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.70 4.10 0.00 3.08 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 55 I 7.55 3.55 2.02 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 1.87 0.84 0.99 0.00 0.00 56 I 7.40 2.85 1.38 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.60 0.06 0.00 0.00 57 R 7.57 3.69 0.00 1.78 1.92 0.00 3.03 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.55 0.00 58 K 7.39 3.85 0.00 1.67 1.63 0.00 1.57 0.00 0.00 1.43 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.78 1.05 7.81 59 C 8.17 4.15 0.00 3.16 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 60 L 7.75 4.25 0.00 1.79 1.62 0.86 0.99 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 61 N 7.54 4.94 0.00 2.72 2.77 0.00 0.00 7.00 8.16 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 62 L 8.01 4.02 0.00 1.77 1.59 0.85 0.62 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 63 R 8.47 4.86 0.00 1.96 1.92 0.00 3.12 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.92 0.00 64 L 8.85 5.11 0.00 1.04 1.46 0.82 0.95 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 8.17 4.74 0.00 3.43 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 8.55 4.90 0.00 2.63 2.75 0.00 0.00 6.90 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 9.23 4.42 0.00 2.91 2.78 0.00 0.00 6.54 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 68 D 6.40 4.42 0.00 2.74 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 69 N 7.02 4.58 0.00 2.70 2.96 0.00 0.00 7.12 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 7.10 4.65 0.00 1.94 1.69 0.00 2.00 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.34 7.81 71 T 8.45 4.24 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 1.13 0.00 0.00 72 W 7.46 4.09 0.00 3.42 3.37 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 73 D 7.98 4.90 0.00 2.97 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 74 K 8.80 4.86 0.00 1.96 1.68 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.50 7.81 75 N 9.03 5.50 0.00 2.94 3.20 0.00 0.00 6.49 7.70 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 76 V 8.62 3.48 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 1.17 0.00 0.00 1.13 0.00 0.00 77 K 8.06 3.66 0.00 1.80 1.68 0.00 1.61 0.00 0.00 1.31 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.30 1.15 7.81 78 D 8.23 3.88 0.00 2.52 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 79 L 6.77 4.05 0.00 0.27 0.13 0.17 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.32 4.21 0.00 2.65 2.78 0.00 0.00 7.13 5.12 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 81 Y 8.08 5.01 0.00 2.66 2.83 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 82 E 8.84 5.09 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 83 L 8.88 5.27 0.00 1.53 1.36 1.11 0.70 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 84 L 8.67 4.97 0.00 1.69 1.43 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.32 4.51 1.84 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.05 1.08 0.00 0.00 86 V 8.81 4.39 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.85 0.00 0.00 87 S 8.50 4.48 0.00 3.25 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 88 Q 9.30 4.40 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 89 F 8.39 4.41 0.00 3.23 3.25 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 90 T 6.72 3.93 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 91 L 7.46 4.02 0.00 1.38 1.43 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.04 4.68 0.00 3.27 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 93 G 7.95 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 94 N 8.67 4.74 0.00 2.85 2.64 0.00 0.00 6.41 6.50 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 95 T 8.18 4.75 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 1.19 0.00 0.00 96 K 8.21 4.02 0.00 1.75 1.89 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.42 7.81 97 K 8.03 3.96 0.00 1.65 1.83 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.51 7.81 98 G 7.29 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.86 4.49 0.00 2.70 2.86 0.00 0.00 6.67 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 7.74 4.21 0.00 1.70 1.73 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.43 7.81 101 P 0.00 4.39 0.00 1.86 1.92 0.00 3.80 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 102 D 8.09 4.55 0.00 2.92 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 0.00 103 F 8.22 5.55 0.00 3.16 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 0.00 104 H 8.18 4.37 0.00 3.13 3.38 0.00 5.89 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 0.00 105 L 7.92 4.21 0.00 1.52 1.24 1.06 0.95 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 0.00 106 A 7.83 4.40 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 0.00 107 K 8.51 3.60 0.00 1.72 1.76 0.00 1.75 0.00 0.00 1.21 0.00 0.00 2.69 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.51 1.34 7.81 108 E 9.07 3.78 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 109 P 0.00 4.42 0.00 2.24 2.20 0.00 3.63 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 110 N 8.78 4.30 0.00 2.95 2.88 0.00 0.00 7.15 7.22 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 0.00 111 E 8.22 4.12 0.00 2.04 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 2.35 2.34 0.00 112 A 8.37 4.12 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 7.92 2.94 0.00 0.67 1.54 0.69 0.86 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 0.00 114 I 7.25 3.66 2.06 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 1.40 0.44 0.93 0.00 0.00 115 F 8.41 4.04 0.00 3.39 3.38 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 0.00 116 Y 8.99 4.54 0.00 3.34 3.20 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 0.00 117 N 8.61 3.94 0.00 2.92 2.80 0.00 0.00 6.76 7.23 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 0.00 118 K 8.31 4.00 0.00 1.86 1.81 0.00 1.11 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.97 1.16 7.81 119 I 8.56 3.77 2.22 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.33 1.22 0.00 0.00 120 I 8.34 3.89 1.64 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 0.90 0.12 0.80 0.00 0.00 121 D 8.62 4.38 0.00 2.76 2.72 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 0.00 122 E 8.44 4.01 0.00 2.57 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 0.00 2.36 2.35 0.00 123 F 8.69 4.04 0.00 3.37 3.07 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 0.00 124 K 8.25 4.01 0.00 2.03 1.88 0.00 1.67 0.00 0.00 1.57 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.72 7.81 125 K 8.14 3.99 0.00 1.81 2.15 0.00 1.82 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.47 7.81 126 Q 8.37 4.32 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.56 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 127 Y 8.53 4.68 0.00 3.03 2.83 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 0.00 128 N 6.91 4.46 0.00 2.64 1.81 0.00 0.00 7.20 8.27 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 0.00 129 D 8.67 4.59 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 8.53 4.43 0.00 2.66 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 0.00 131 K 7.68 4.45 0.00 1.15 1.91 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.98 1.03 7.81 132 I 7.65 4.50 1.84 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.96 0.77 0.00 0.00 133 K 9.07 4.74 0.00 1.59 1.67 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.63 7.81 134 I 8.24 4.76 2.02 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 1.30 0.71 0.86 0.00 0.00 135 G 8.38 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 0.00 136 K 8.59 4.55 0.00 1.74 1.78 0.00 1.87 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.42 7.81 137 F 8.91 3.74 0.00 3.22 3.07 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 0.00 138 G 8.22 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 0.00 139 N 7.56 5.10 0.00 2.95 2.77 0.00 0.00 6.86 7.25 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 0.00 140 Y 8.50 4.12 0.00 3.18 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 0.00 141 M 7.20 5.06 0.00 1.73 1.67 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 142 N 9.47 4.80 0.00 2.87 2.69 0.00 0.00 7.19 6.00 0.00 0.00 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 8.33 4.84 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.75 0.95 0.00 0.00 144 D 8.80 4.65 0.00 2.71 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 0.00 145 V 8.13 4.33 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 0.87 0.00 0.00 1.01 0.00 0.00 146 T 8.77 4.34 4.31 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 1.21 0.00 0.00 147 N 8.60 4.94 0.00 2.62 2.78 0.00 0.00 7.06 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 10.15 4.19 0.00 2.78 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 0.00 149 G 8.67 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 0.00 0.00 0.00 150 P 0.00 4.59 0.00 2.21 2.10 0.00 3.33 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 151 V 8.07 4.43 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.98 0.00 0.00 152 T 8.71 5.13 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 1.26 0.00 0.00 153 I 8.67 4.62 1.86 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.96 0.88 0.00 0.00 154 Y 8.53 5.17 0.00 2.91 2.78 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 0.00 155 I 8.13 4.39 1.74 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 1.08 0.57 0.97 0.00 0.00 156 D 8.36 5.19 0.00 2.79 2.76 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 0.00 0.00 0.00 0.00 157 T 8.97 3.99 4.34 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 1.48 0.00 0.00 158 H 8.87 4.47 0.00 3.29 3.42 0.00 5.84 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 7.74 4.66 0.00 2.83 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 0.00 160 I 7.78 4.25 1.66 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.33 0.42 0.00 0.00 161 N 8.61 4.30 0.00 2.74 2.64 0.00 0.00 6.62 7.79 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 0.00 162 L 8.39 4.03 0.00 1.82 1.55 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.