NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 H 4.8216 8.4449 117.8221 56.0419 30.1948 171.9443 -3 H 4.7940 8.3301 116.5679 52.9245 32.4177 171.9105 -2 H 4.2262 9.6517 123.3297 56.7979 31.0450 174.5688 -1 H 4.5289 8.5185 123.9492 55.8219 29.3944 174.9596 0 H 4.8083 8.4222 119.8776 55.1455 29.9744 174.5229 1 L 4.5261 9.0075 123.5103 53.4197 43.0655 175.6041 2 K 5.5804 8.2862 124.7521 53.3138 36.0545 175.9070 0 K 4.3983 8.2922 122.0776 56.3455 34.0744 177.0229 1 K 4.5061 9.1375 122.1103 54.5197 33.7655 174.6041 2 Y 5.8104 8.1162 124.6521 55.0138 40.7545 175.2070 7 T 4.7169 8.6511 111.4663 59.8245 71.7021 175.5284 8 K 3.5957 8.5784 121.2599 58.3024 32.2202 177.9359 9 T 4.3738 7.8200 108.1559 61.6290 69.2356 173.9689 10 H 4.5077 8.2831 117.7953 57.8784 26.4422 173.9847 11 E 5.2459 8.2394 117.4900 54.3756 32.8983 175.6264 12 W 5.0930 8.4191 118.4556 54.7494 31.8734 174.7007 13 V 4.6889 8.0190 113.4019 59.7783 34.7026 174.6671 14 S 4.7060 9.4792 121.3673 56.6040 64.1220 172.3516 15 I 4.8511 8.3538 127.3411 59.1840 40.4258 174.3808 16 E 4.5383 8.8588 129.3928 55.0079 32.1667 177.2694 17 D 4.3050 9.4145 130.1951 55.7198 40.1938 175.7576 18 K 4.2536 8.9946 130.9188 57.2388 33.0462 175.2147 19 V 4.5284 7.8234 120.8296 61.2471 33.2431 174.1433 20 A 5.0497 8.4728 130.1043 50.6784 21.2598 175.2846 21 T 4.5576 8.9883 120.5122 62.5375 70.4999 174.2517 22 V 3.8829 8.2363 125.9647 60.9917 34.7854 174.8204 23 G 3.6873 6.0533 112.3900 45.4127 0.0000 171.3591 24 I 5.0630 8.2024 112.9932 59.5170 39.9085 175.8952 25 T 4.7534 8.6748 114.2993 60.8235 70.2705 175.1765 26 N 4.3237 9.5689 120.6503 57.3112 38.6419 176.1728 27 H 4.2292 8.5274 118.7042 59.2661 29.9239 176.8070 28 A 4.0513 8.1762 122.4272 55.3618 18.0276 179.6567 29 Q 4.0225 8.2352 116.1799 59.5054 28.3820 178.4861 30 E 3.9765 8.2050 119.7921 59.3993 29.5361 179.0589 31 Q 4.1291 7.7049 116.9312 58.7610 28.8472 178.2769 32 L 4.1675 7.8476 119.6280 57.3352 42.1663 178.4530 33 G 3.7581 8.1742 106.0786 44.4679 0.0000 171.7993 34 D 4.4832 8.4981 119.5711 54.5441 40.9786 175.8481 35 V 4.3308 9.3679 125.8183 62.7784 32.0351 175.9117 36 V 4.5161 8.4343 118.7331 61.3126 33.8834 175.1588 37 Y 4.7064 7.5683 120.1003 56.5002 42.0854 173.0717 38 V 4.5717 7.5810 125.2857 60.9500 35.1353 174.0132 39 D 4.5710 8.8138 127.5639 52.5123 42.5408 175.4035 40 L 4.6830 8.2030 126.0948 53.1152 43.0783 175.0171 41 P 4.4147 0.0000 0.0000 62.7891 32.6991 175.3071 42 E 4.3663 8.3607 119.4672 54.6434 30.6555 176.4296 43 V 3.7513 8.2084 123.1978 64.6566 31.8985 176.0251 44 G 4.0058 8.9904 116.1598 44.9668 0.0000 173.7209 45 R 4.0329 7.8050 121.3799 56.4142 31.1466 175.0968 46 E 4.9442 8.6855 125.7869 55.5760 30.8135 175.9566 47 V 4.7248 9.2356 116.8269 59.5394 36.5128 174.7659 48 K 4.7329 9.0170 121.9563 53.8937 34.2885 176.0963 49 K 4.1296 8.3746 123.6111 58.6630 32.3284 176.6667 50 G 4.0440 9.3022 114.9856 45.2024 0.0000 173.6701 51 E 4.3370 8.1077 119.4718 55.7798 30.9507 176.6085 52 V 4.1443 8.5258 123.2946 63.5934 31.5374 175.8773 53 V 4.4231 8.8924 119.8619 61.0225 34.0326 175.0977 54 A 4.8460 7.5872 120.5982 50.8427 23.1053 174.9294 55 S 5.0782 8.8387 113.9520 56.9877 67.7392 173.6632 56 I 5.0305 8.9844 123.6467 59.6265 40.7767 174.0999 57 E 5.2105 9.5850 126.9224 54.6053 31.0322 175.6757 58 S 5.1322 8.9503 118.8498 56.2402 66.1450 175.2033 59 V 3.7465 8.3900 119.3687 65.6859 31.1123 176.9061 60 K 4.3226 7.9668 115.8200 56.8926 33.4604 175.2336 61 A 4.6182 7.4219 119.3125 51.2298 22.1835 173.8786 62 A 5.2292 8.1725 116.8313 51.2061 22.4713 176.0574 63 A 4.6768 9.0753 120.7515 50.5736 22.9220 175.6036 64 D 4.8259 8.6702 121.6309 53.7267 42.4058 175.9056 65 V 4.2096 8.5042 122.2388 61.3610 33.7395 173.9044 66 Y 5.2852 8.8418 125.7847 55.9071 40.1027 175.5285 67 A 4.3013 9.3063 125.9916 52.1711 18.9414 176.6998 68 P 4.6020 0.0000 0.0000 64.1971 32.1986 175.8762 69 L 4.8155 7.3621 117.1860 53.4620 45.9918 175.2353 70 S 4.7305 9.9683 117.0613 57.0630 64.4273 175.6382 71 G 4.0412 7.1600 109.2553 45.8060 0.0000 170.2497 72 K 4.9848 7.8770 122.5014 54.3464 34.7153 177.5716 73 I 4.1373 8.8973 129.0574 61.8197 37.4776 176.8477 74 V 4.5714 8.7764 119.4685 61.5104 34.0771 175.5045 75 E 4.8933 7.9531 119.2890 55.2436 32.7968 174.1976 76 V 4.8841 8.4486 117.9450 59.3023 35.6636 176.4651 77 N 3.9706 8.2395 122.5176 52.0062 36.4565 175.4205 78 E 3.8962 8.1676 125.1307 58.5934 29.9415 178.3550 79 K 4.0365 7.8616 117.9443 59.3034 32.4086 178.8088 80 L 4.0815 7.6460 119.6480 57.3467 41.4608 178.5162 81 D 4.3814 7.9978 118.8631 56.5711 40.7350 177.6691 82 T 4.4981 7.7735 107.7372 61.2799 72.0996 174.2209 83 E 5.0600 8.5811 120.1538 52.6360 29.9201 174.8716 84 P 4.3325 0.0000 0.0000 65.1507 31.4413 178.1178 85 E 4.0555 8.1709 117.1450 58.7920 29.3341 178.6099 86 L 4.0732 7.8617 120.3319 57.8692 41.3357 179.3124 87 I 3.7581 7.6957 119.2817 64.2871 37.0265 177.8424 88 N 4.8165 7.7976 117.4898 55.4336 38.6670 177.3431 89 K 4.2039 7.9998 118.7910 58.4988 33.8256 177.3997 90 D 4.8513 8.3752 117.2959 51.6461 41.0666 173.8467 91 P 4.4247 0.0000 0.0000 65.2630 31.8410 177.8838 92 E 4.3048 8.2243 115.7589 55.4629 31.7770 175.0920 93 G 4.2667 7.9384 109.2021 45.8421 0.0000 175.7298 94 E 4.3361 7.8582 128.0198 58.2151 30.0155 176.3406 95 G 4.0381 8.4375 107.4315 45.1026 0.0000 173.9392 96 W 4.5509 8.0055 116.4745 57.1232 28.6266 175.7130 97 L 4.3603 9.0290 120.2431 56.3055 42.3672 176.5137 98 F 5.6568 7.4028 111.2980 55.9163 41.9832 172.1074 99 K 5.4979 9.4842 118.5427 53.5358 36.2890 174.6583 *101 E 4.5602 8.4774 120.5125 56.2346 30.5760 175.0420 102 I 4.5668 8.9672 121.9476 61.0488 38.1779 176.0325 103 S 4.6204 8.7063 118.0987 58.7029 65.0437 173.7955 104 D 4.5318 7.8746 119.3487 51.4661 42.2171 174.8791 105 E 4.1270 8.8525 127.5357 59.1836 29.5895 179.2268 106 G 3.7378 8.2190 105.3227 47.7800 0.0000 175.4661 107 E 4.0931 8.2271 120.3776 58.9924 29.3542 179.1892 108 L 4.0578 7.9573 119.4362 57.6120 41.4294 178.6562 109 E 4.2311 7.9549 116.2230 57.8815 29.5696 177.7258 110 D 4.6508 7.8042 118.0615 54.0865 41.5802 176.2767 111 L 4.5457 6.9309 119.4007 53.6898 43.2332 176.3220 112 L 4.5919 8.3325 120.6724 54.2802 42.9776 176.7833 113 D 4.8055 8.6032 122.4001 52.5336 41.5563 176.8494 114 E 3.8405 9.0439 118.2434 59.3026 29.4512 178.1436 115 Q 3.9051 8.1976 118.8834 59.2801 29.2197 177.9458 116 A 4.0178 8.9771 121.9963 55.4475 18.0834 179.0463 117 Y 4.0175 8.3626 118.1620 60.9209 38.8817 178.0000 118 Q 3.9060 8.5590 119.4080 58.9034 28.7907 178.6407 119 E 3.9251 8.3950 119.7685 59.2764 29.2806 179.0306 120 F 4.0764 8.0068 119.5043 61.5994 39.4816 176.7701 121 C 3.8984 7.6240 114.6072 62.6397 28.0054 175.6138 122 A 4.1018 7.8240 123.5676 55.5962 17.9936 178.5597 123 Q 4.1854 7.7893 122.7565 57.5133 28.4239 178.3720 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 -4 H 8.44 4.82 0.00 3.12 3.31 0.00 5.81 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.33 4.79 0.00 3.21 3.18 0.00 5.71 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 -2 H 9.65 4.23 0.00 3.06 3.21 0.00 5.74 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.52 4.53 0.00 3.12 3.17 0.00 5.77 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 0 H 8.42 4.81 0.00 3.02 3.26 0.00 5.74 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 L 9.01 4.53 0.00 1.75 1.54 0.92 0.64 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 2 K 8.29 5.58 0.00 1.86 1.61 0.00 2.00 0.00 0.00 2.29 0.00 0.00 2.83 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.33 0.82 7.81 0 K 8.29 4.40 0.00 1.57 1.85 0.00 0.61 0.00 0.00 2.61 0.00 0.00 2.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.22 7.81 1 K 9.14 4.51 0.00 1.97 1.67 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.30 7.81 2 Y 8.12 5.81 0.00 3.05 2.84 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 7 T 8.65 4.72 4.25 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 1.21 0.00 0.00 8 K 8.58 3.60 0.00 1.55 1.53 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.95 7.81 9 T 7.82 4.37 4.48 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 1.32 0.00 0.00 10 H 8.28 4.51 0.00 3.63 3.77 0.00 5.59 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.24 5.25 0.00 1.90 1.76 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 2.22 2.29 0.00 12 W 8.42 5.09 0.00 2.90 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 13 V 8.02 4.69 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 0.57 0.00 0.00 0.88 0.00 0.00 14 S 9.48 4.71 0.00 3.99 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.35 4.85 1.84 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 1.29 1.20 0.89 0.00 0.00 16 E 8.86 4.54 0.00 1.97 1.72 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 2.15 2.19 0.00 17 D 9.41 4.31 0.00 2.86 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 0.00 0.00 0.00 18 K 8.99 4.25 0.00 1.78 1.83 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.36 7.81 19 V 7.82 4.53 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 0.98 0.00 0.00 0.92 0.00 0.00 20 A 8.47 5.05 1.19 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 21 T 8.99 4.56 4.29 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 1.06 0.00 0.00 22 V 8.24 3.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.50 0.00 0.00 23 G 6.05 3.69 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 0.00 0.00 0.00 24 I 8.20 5.06 1.98 0.00 0.00 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 1.47 0.84 0.91 0.00 0.00 25 T 8.67 4.75 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 26 N 9.57 4.32 0.00 2.90 2.96 0.00 0.00 7.24 7.60 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 27 H 8.53 4.23 0.00 3.39 3.49 0.00 5.93 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 28 A 8.18 4.05 1.61 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 0.00 0.00 29 Q 8.24 4.02 0.00 2.40 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 30 E 8.20 3.98 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 31 Q 7.70 4.13 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 32 L 7.85 4.17 0.00 1.80 1.75 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.17 3.76 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 0.00 0.00 0.00 34 D 8.50 4.48 0.00 2.81 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 9.37 4.33 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.02 0.00 0.00 36 V 8.43 4.52 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 0.79 0.00 0.00 1.04 0.00 0.00 37 Y 7.57 4.71 0.00 2.97 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 38 V 7.58 4.57 1.84 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 0.76 0.00 0.00 0.82 0.00 0.00 39 D 8.81 4.57 0.00 2.87 2.54 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 0.00 0.00 0.00 0.00 40 L 8.20 4.68 0.00 1.48 1.51 0.78 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.41 0.00 1.79 1.83 0.00 3.66 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 1.66 0.92 0.00 42 E 8.36 4.37 0.00 2.00 1.87 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 2.31 2.24 0.00 43 V 8.21 3.75 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 0.84 0.00 0.00 0.96 0.00 0.00 44 G 8.99 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 0.00 0.00 0.00 45 R 7.81 4.03 0.00 1.95 1.79 0.00 3.01 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 46 E 8.69 4.94 0.00 1.87 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 2.26 2.27 0.00 47 V 9.24 4.72 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 0.63 0.00 0.00 0.94 0.00 0.00 48 K 9.02 4.73 0.00 1.75 1.68 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.48 7.81 49 K 8.37 4.13 0.00 1.72 1.76 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.57 7.81 50 G 9.30 4.04 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 0.00 0.00 0.00 51 E 8.11 4.34 0.00 2.11 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 2.35 2.27 0.00 52 V 8.53 4.14 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 0.75 0.00 0.00 1.08 0.00 0.00 53 V 8.89 4.42 1.66 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 0.62 0.00 0.00 0.90 0.00 0.00 54 A 7.59 4.85 1.19 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 55 S 8.84 5.08 0.00 3.83 3.74 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 56 I 8.98 5.03 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 1.20 0.81 0.93 0.00 0.00 57 E 9.59 5.21 0.00 2.02 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 2.33 0.00 58 S 8.95 5.13 0.00 3.98 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 59 V 8.39 3.75 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 0.78 0.00 0.00 0.94 0.00 0.00 60 K 7.97 4.32 0.00 1.78 1.84 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.36 7.81 61 A 7.42 4.62 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 62 A 8.17 5.23 1.20 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 63 A 9.08 4.68 1.21 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 0.00 0.00 0.00 64 D 8.67 4.83 0.00 2.33 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 0.00 0.00 0.00 0.00 65 V 8.50 4.21 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 1.11 0.00 0.00 0.88 0.00 0.00 66 Y 8.84 5.29 0.00 2.92 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 67 A 9.31 4.30 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 68 P 0.00 4.60 0.00 2.16 2.16 0.00 3.88 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 69 L 7.36 4.82 0.00 1.62 1.56 0.90 0.87 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 70 S 9.97 4.73 0.00 3.85 3.77 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 71 G 7.16 4.04 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 0.00 0.00 0.00 72 K 7.88 4.98 0.00 1.87 1.68 0.00 1.81 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.37 7.81 73 I 8.90 4.14 1.96 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.40 0.95 0.00 0.00 74 V 8.78 4.57 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 0.72 0.00 0.00 1.00 0.00 0.00 75 E 7.95 4.89 0.00 2.10 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 2.63 2.48 0.00 76 V 8.45 4.88 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 0.86 0.00 0.00 0.91 0.00 0.00 77 N 8.24 3.97 0.00 1.44 1.84 0.00 0.00 7.35 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 78 E 8.17 3.90 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 79 K 7.86 4.04 0.00 1.93 2.03 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.43 7.81 80 L 7.65 4.08 0.00 1.53 1.62 0.78 0.79 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 81 D 8.00 4.38 0.00 2.69 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 82 T 7.77 4.50 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 83 E 8.58 5.06 0.00 2.01 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 2.20 2.14 0.00 84 P 0.00 4.33 0.00 2.24 2.32 0.00 3.77 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 2.07 2.13 0.00 85 E 8.17 4.06 0.00 2.19 2.26 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 2.36 2.35 0.00 86 L 7.86 4.07 0.00 1.80 1.76 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.70 3.76 2.00 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 0.44 0.95 0.00 0.00 88 N 7.80 4.82 0.00 2.84 2.89 0.00 0.00 7.31 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 89 K 8.00 4.20 0.00 1.75 1.88 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.65 7.81 90 D 8.38 4.85 0.00 2.70 2.54 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 0.00 0.00 0.00 0.00 91 P 0.00 4.42 0.00 2.56 2.45 0.00 3.82 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 92 E 8.22 4.30 0.00 1.73 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 1.77 2.25 0.00 93 G 7.94 4.27 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 0.00 94 E 7.86 4.34 0.00 2.35 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 2.32 2.13 0.00 95 G 8.44 4.04 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 0.00 0.00 0.00 96 W 8.01 4.55 0.00 3.62 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.03 4.36 0.00 1.51 1.84 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 98 F 7.40 5.66 0.00 3.29 3.10 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 0.00 99 K 9.48 5.50 0.00 1.71 1.73 0.00 1.62 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 0.95 7.81 *101 E 8.48 4.56 0.00 2.09 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 2.28 2.33 0.00 102 I 8.97 4.57 1.88 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 1.48 0.71 0.95 0.00 0.00 103 S 8.71 4.62 0.00 3.90 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 0.00 104 D 7.87 4.53 0.00 2.71 2.54 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 0.00 0.00 0.00 0.00 105 E 8.85 4.13 0.00 2.09 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 2.41 2.45 0.00 106 G 8.22 3.74 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 0.00 0.00 0.00 107 E 8.23 4.09 0.00 2.22 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 2.33 2.35 0.00 108 L 7.96 4.06 0.00 1.82 1.72 0.92 0.90 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 0.00 109 E 7.95 4.23 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 110 D 7.80 4.65 0.00 2.81 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 0.00 111 L 6.93 4.55 0.00 1.65 1.77 0.89 1.06 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 0.00 112 L 8.33 4.59 0.00 1.80 1.73 0.83 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.60 4.81 0.00 2.88 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 0.00 114 E 9.04 3.84 0.00 2.27 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 2.33 2.40 0.00 115 Q 8.20 3.91 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 116 A 8.98 4.02 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 0.00 117 Y 8.36 4.02 0.00 2.96 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 0.00 118 Q 8.56 3.91 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 119 E 8.40 3.93 0.00 2.35 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.19 0.00 120 F 8.01 4.08 0.00 3.04 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 0.00 121 C 7.62 3.90 0.00 2.67 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 0.00 122 A 7.82 4.10 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 0.00 123 Q 7.79 4.19 0.00 2.19 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.49 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.