NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0885 8.1633 120.7420 55.2650 34.1081 173.6780 2 R 5.0107 8.8559 116.9904 53.3687 33.7998 169.9461 3 V 5.0077 9.2490 122.2230 60.0424 35.8675 174.2449 4 V 4.8533 8.9924 123.3456 61.5855 33.6481 173.9879 5 I 4.9252 9.0236 130.2434 60.1209 39.2663 175.0456 6 Q 5.2240 9.0534 125.7085 53.8321 32.2221 174.8407 7 R 4.5178 9.0709 125.6553 56.4341 31.3103 175.6397 8 V 5.0065 8.9779 119.0654 59.7071 35.4681 176.5210 9 K 4.3871 8.9221 122.0973 56.9125 32.8750 177.1359 10 G 4.6898 7.6114 108.7099 45.9085 0.0000 171.9699 11 A 5.0626 7.5335 119.6670 51.0635 22.8435 175.2459 12 I 4.7124 8.7296 124.4064 59.5032 40.1898 174.4558 13 L 4.8959 9.3730 130.8741 53.8012 43.6161 175.4100 14 S 5.3232 9.3620 122.4793 57.2407 66.6405 173.6547 15 V 4.8846 8.9489 115.1704 59.9494 36.2909 174.3489 16 R 4.6479 8.6722 122.4445 56.4176 30.9530 177.1217 *26 E 4.4022 8.7153 118.2494 55.2346 31.9913 173.2327 27 L 4.9673 7.6501 116.8663 52.9471 44.0580 175.0485 28 E 4.7604 9.3357 121.9066 54.4135 32.7756 174.9110 29 I 4.6481 8.4824 127.6788 61.3845 37.4784 175.6932 30 I 4.6527 9.0338 118.3316 60.6966 39.4960 175.7337 31 S 4.7317 7.8637 117.8923 57.2874 67.4899 172.9017 32 E 5.7532 8.8675 124.1107 55.2267 32.5151 173.9626 33 I 4.7689 8.4018 119.6573 58.1710 41.0208 175.2955 34 K 4.6271 9.1134 129.4872 55.8872 30.5345 178.7304 35 N 4.5489 8.6813 125.4002 53.3331 39.6107 174.7237 36 G 4.9096 7.1300 108.8372 46.2240 0.0000 171.5724 37 L 5.3620 7.9599 122.4890 52.8989 46.2434 175.0165 38 I 4.6362 8.4974 122.5667 59.5047 40.2854 173.8681 39 C 5.1322 8.6249 126.9871 58.1136 30.9552 173.1406 40 F 4.8900 9.3192 124.4899 56.2451 39.7001 174.3577 41 L 5.1397 9.5513 127.7118 53.3389 44.0121 175.2276 42 G 4.7564 9.3759 113.7187 44.5765 0.0000 171.8561 43 I 5.0118 8.5366 124.5122 59.3315 39.7418 174.6312 44 H 3.4458 9.4360 128.4150 55.9393 30.4868 175.7809 45 K 3.9175 8.7451 128.4530 58.8597 32.2399 178.4412 46 N 4.9214 7.8168 115.2990 52.8467 39.1098 175.0601 47 D 4.5868 7.4497 117.6543 54.1804 41.9206 176.6965 48 T 4.7635 9.0367 112.3032 59.4158 72.9888 174.9865 49 W 4.6416 8.8373 129.0302 59.7071 30.6963 177.6808 50 E 3.8694 8.1277 119.1300 59.7400 29.0455 178.4269 51 D 4.3647 8.2697 118.1972 57.4918 40.9230 178.7650 52 A 3.8913 7.7926 120.7670 55.1284 18.2618 179.2149 53 L 3.3644 6.8423 117.3106 58.1672 41.7820 179.0884 54 Y 3.8571 7.8334 118.7875 60.8571 38.6594 178.1320 55 I 3.8046 7.6637 119.9371 64.6650 37.2779 178.1821 56 I 3.1024 7.3769 120.2141 64.4541 36.9950 178.3340 57 R 3.7576 7.9946 119.4772 59.2060 29.6945 178.4168 58 K 3.9903 7.6894 117.6741 59.2210 32.1882 178.3155 59 C 4.1283 8.1568 115.9793 63.0644 28.1711 175.5766 60 L 4.1257 8.1099 120.9650 57.5533 41.4713 178.1757 61 N 4.7849 7.6649 113.2018 53.3699 40.4824 175.4538 62 L 3.8578 8.2401 119.4728 55.2878 42.0093 176.4786 63 R 4.9131 8.5539 122.8997 55.1762 29.8339 175.7848 64 L 5.1888 8.7170 121.6902 53.8655 44.2190 176.9931 65 W 4.6584 8.3316 119.3507 55.0668 30.2370 175.9183 66 N 4.7499 8.5022 120.3765 53.4416 38.9189 174.4917 67 N 4.8002 9.1045 119.5297 53.6085 42.7422 174.3914 68 D 4.1492 8.4738 126.9659 55.7045 40.1332 176.8749 69 N 4.5113 9.0200 125.9291 55.6879 38.7038 174.5972 70 K 4.6275 8.1028 118.6338 54.4891 34.6214 175.5083 71 T 4.4178 8.2572 112.2692 60.9915 70.8758 174.4370 72 W 3.9017 7.8953 121.4812 58.3988 27.0383 173.0253 73 D 4.8653 8.8731 118.8169 55.5127 42.9500 177.1910 74 K 5.0058 8.1631 117.4118 54.7215 34.7978 175.7080 75 N 5.9680 10.2381 122.7674 50.8439 39.8148 176.1583 76 V 3.3196 8.7139 117.8369 64.7564 31.0629 178.3778 77 K 3.5157 7.8551 118.4638 59.0230 31.9407 178.4465 78 D 4.3056 8.1869 118.2641 57.0761 40.8057 178.2663 79 L 4.0205 6.8614 114.9394 52.9704 41.9402 175.9910 80 N 4.3239 7.6114 114.5302 53.2417 36.8147 173.8251 81 Y 4.9269 7.6390 113.8350 57.2220 39.7704 176.0458 82 E 4.6457 8.5779 121.6977 56.0675 31.8007 175.5539 83 L 5.1665 9.4206 120.8903 53.0983 46.1079 175.4499 84 L 4.8929 8.8518 125.9460 53.3831 44.1187 174.8246 85 I 4.6814 8.8081 127.7802 59.5446 39.5953 174.6958 86 V 4.6051 8.5053 127.5008 60.8037 34.2056 174.7353 87 S 4.8324 8.8056 122.6735 58.7122 63.4713 174.2372 88 Q 4.6464 9.5491 127.3030 54.7303 29.6640 174.8188 89 F 4.5652 8.3830 118.4647 58.7826 38.7117 178.2700 90 T 3.5709 6.9850 111.2732 63.4757 68.9127 176.3968 91 L 3.8676 7.6416 121.6388 57.1843 41.6490 177.4993 92 F 4.7545 7.9643 115.9688 57.0449 39.6946 176.3524 93 G 4.0596 8.4175 107.8244 46.8696 0.0000 173.2946 94 N 4.9408 9.6077 125.6549 52.3743 39.9868 174.9330 95 T 4.6194 8.3131 115.3055 61.3471 69.5669 175.5690 96 K 4.0234 8.3210 122.8390 59.3403 32.1520 177.1669 97 K 4.2362 7.9061 118.5931 55.4231 33.2289 176.3077 98 G 3.9381 8.5488 117.3499 45.3053 0.0000 172.5664 99 N 4.7377 8.5469 112.8908 52.4245 38.8212 174.8117 100 K 4.3958 7.6849 120.2408 53.5319 33.1130 174.0840 101 P 4.4157 0.0000 0.0000 62.6033 32.1411 175.0654 102 D 4.3858 8.1688 119.7725 52.6025 42.8129 176.7370 103 F 5.5749 7.7926 126.3694 57.8535 39.9848 178.1265 104 H 4.3773 8.1576 119.2535 59.1643 28.7233 177.3589 105 L 4.0714 7.9687 116.8992 55.8396 41.7816 176.4733 106 A 4.1880 7.3543 120.3467 51.0307 18.9055 177.6905 107 K 4.0472 8.7126 123.8530 56.7546 33.1480 176.1494 108 E 4.3274 8.6400 122.7255 55.2041 31.2846 175.2763 109 P 4.4862 0.0000 0.0000 66.2910 31.1403 178.5621 110 N 4.3201 8.1625 114.2305 56.5650 38.5043 177.2831 111 E 3.9971 8.1506 119.1971 59.2761 29.6256 179.0949 112 A 4.2038 8.5402 121.3770 54.6548 18.4701 179.4191 113 L 2.6528 8.1156 119.4802 58.0377 42.1079 179.1055 114 I 3.6925 7.3721 118.2212 64.3537 37.7988 177.0037 115 F 4.3065 8.6006 121.3863 61.2038 39.1660 176.9404 116 Y 4.2414 8.8085 118.7752 60.7163 39.2020 178.5258 117 N 4.4130 8.5665 117.6650 56.3261 38.3811 177.6618 118 K 4.0533 7.9353 119.3412 59.1429 32.0534 179.6252 119 I 3.6777 7.9593 120.8872 64.1925 36.9723 178.2936 120 I 3.7466 8.0003 121.0077 64.7251 36.9477 178.1135 121 D 4.4004 8.2432 119.5560 57.5684 40.6533 178.7303 122 E 4.0281 8.1164 119.5409 59.0625 29.5832 178.8059 123 F 4.1009 8.0507 117.8847 60.7584 38.8752 177.9238 124 K 4.1317 8.2201 116.3311 59.2886 31.7926 178.8826 125 K 4.1159 8.2585 120.4596 59.4142 32.3154 178.6240 126 Q 4.2097 8.8419 119.5366 56.0131 28.8267 176.4440 127 Y 4.8335 8.5837 117.0436 57.2736 38.3971 176.3901 128 N 4.6801 8.8074 111.6490 52.1630 42.3348 172.6390 129 D 4.3071 8.5412 122.8634 57.9641 41.3870 177.9825 130 D 4.5448 8.3133 116.6366 55.7450 40.8023 177.0597 131 K 4.3500 7.5052 118.0196 56.0193 33.6507 175.5296 132 I 4.7550 7.8034 122.0889 59.4748 38.9888 175.1758 133 K 4.8002 9.4354 127.5035 54.4045 35.2319 175.4317 134 I 5.0197 7.7398 115.3795 58.0402 40.6842 175.6345 135 G 4.1429 8.0791 113.6567 46.1892 0.0000 173.6683 136 K 4.6370 8.4755 125.6748 54.0459 33.8085 176.1942 137 F 3.9055 8.9484 129.2026 59.2444 39.8998 174.6786 138 G 3.8089 7.5553 115.6316 46.6708 0.0000 172.7910 139 N 5.0584 7.7170 113.6052 50.5088 42.6360 174.1984 140 Y 4.0116 8.7377 121.8483 58.6415 39.2330 175.4764 141 M 4.9078 7.5408 125.4229 53.3719 35.8731 174.3998 142 N 4.7109 9.0996 121.2523 52.0776 41.1668 173.5824 143 I 5.3749 8.1071 127.2043 58.4792 39.6637 175.1104 144 D 4.4659 8.6605 128.3088 54.1609 41.8399 175.8985 145 V 4.5681 8.2772 124.6405 61.1202 33.3402 175.5545 146 T 4.0729 8.5022 126.0241 63.8201 68.7007 173.2999 147 N 4.8200 8.6091 124.6386 52.8074 39.5283 175.2124 148 D 4.3840 10.1447 125.5102 54.3729 40.2090 173.9700 149 G 3.6163 8.6880 116.9516 44.5078 0.0000 170.3230 150 P 4.4958 0.0000 0.0000 61.4917 32.6364 175.5232 151 V 4.4091 8.1825 118.5111 61.5159 34.2299 174.1090 152 T 5.1374 8.6520 124.4324 62.0110 70.9448 173.3974 153 I 4.5169 9.3423 128.8414 59.6226 40.0996 174.4534 154 Y 5.2898 8.5433 126.1465 56.2054 41.1527 174.2306 155 I 4.2934 7.9825 127.7357 59.3433 40.6430 174.5455 156 D 5.0439 7.8862 124.1909 52.5752 43.8421 176.3232 157 T 3.6491 9.2730 117.3541 64.1883 69.0776 176.1913 158 H 4.2120 8.5446 119.1825 58.3174 28.7286 175.6526 159 D 4.7345 7.6411 118.3408 54.3352 40.5942 175.7809 160 I 4.5901 7.2074 119.7023 60.1362 40.8225 175.2093 161 N 4.5334 8.6135 117.7349 54.0836 38.7201 174.7866 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 5.09 0.00 1.73 2.02 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 8.86 5.01 0.00 1.62 1.92 0.00 2.21 0.00 0.00 2.84 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 3 V 9.25 5.01 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.13 0.00 0.00 4 V 8.99 4.85 2.28 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 1.17 0.00 0.00 1.06 0.00 0.00 5 I 9.02 4.93 1.91 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 1.30 0.91 0.94 0.00 0.00 6 Q 9.05 5.22 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 7 R 9.07 4.52 0.00 1.60 1.67 0.00 2.21 0.00 0.00 2.53 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 0.00 8 V 8.98 5.01 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 0.80 0.00 0.00 1.01 0.00 0.00 9 K 8.92 4.39 0.00 1.66 1.84 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.41 7.81 10 G 7.61 4.69 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 11 A 7.53 5.06 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 12 I 8.73 4.71 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 1.11 0.84 0.91 0.00 0.00 13 L 9.37 4.90 0.00 1.71 1.60 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.36 5.32 0.00 3.78 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 15 V 8.95 4.88 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 0.90 0.00 0.00 0.96 0.00 0.00 16 R 8.67 4.65 0.00 1.84 1.88 0.00 3.21 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 *26 E 8.72 4.40 0.00 2.01 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 2.13 1.91 0.00 27 L 7.65 4.97 0.00 1.65 1.65 0.99 0.98 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 9.34 4.76 0.00 1.94 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 2.20 2.26 0.00 29 I 8.48 4.65 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 1.41 0.66 0.91 0.00 0.00 30 I 9.03 4.65 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 0.67 0.95 0.00 0.00 31 S 7.86 4.73 0.00 3.74 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 32 E 8.87 5.75 0.00 1.92 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 2.18 2.14 0.00 33 I 8.40 4.77 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 1.32 0.76 0.88 0.00 0.00 34 K 9.11 4.63 0.00 1.70 1.26 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.53 7.81 35 N 8.68 4.55 0.00 1.44 1.56 0.00 0.00 6.63 7.73 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 36 G 7.13 4.91 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 0.00 0.00 0.00 37 L 7.96 5.36 0.00 1.66 1.59 1.12 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.50 4.64 1.76 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 1.38 0.98 0.00 0.00 39 C 8.62 5.13 0.00 2.82 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 40 F 9.32 4.89 0.00 3.00 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 41 L 9.55 5.14 0.00 1.89 1.91 1.11 1.44 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 42 G 9.38 4.76 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 43 I 8.54 5.01 2.04 0.00 0.00 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 1.65 0.97 1.01 0.00 0.00 44 H 9.44 3.45 0.00 3.05 3.05 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.75 3.92 0.00 1.74 1.87 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.44 7.81 46 N 7.82 4.92 0.00 2.64 2.75 0.00 0.00 6.94 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 7.45 4.59 0.00 2.56 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 0.00 0.00 0.00 0.00 48 T 9.04 4.76 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 49 W 8.84 4.64 0.00 3.56 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 50 E 8.13 3.87 0.00 2.01 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 2.40 2.53 0.00 51 D 8.27 4.36 0.00 2.99 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.79 3.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 6.84 3.36 0.00 1.71 1.54 0.91 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.83 3.86 0.00 3.06 3.05 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 55 I 7.66 3.80 2.04 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 1.82 0.79 1.06 0.00 0.00 56 I 7.38 3.10 1.52 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.21 0.29 0.00 0.00 57 R 7.99 3.76 0.00 1.63 1.81 0.00 2.95 0.00 0.00 3.01 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.53 0.00 58 K 7.69 3.99 0.00 1.93 1.79 0.00 1.65 0.00 0.00 1.46 0.00 0.00 2.59 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.01 1.41 7.81 59 C 8.16 4.13 0.00 3.29 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 60 L 8.11 4.13 0.00 1.73 1.71 0.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.66 4.78 0.00 2.80 2.79 0.00 0.00 7.04 7.31 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 62 L 8.24 3.86 0.00 1.75 1.63 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.55 4.91 0.00 1.91 2.06 0.00 3.18 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.91 0.00 64 L 8.72 5.19 0.00 0.74 1.45 0.69 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.33 4.66 0.00 3.76 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 66 N 8.50 4.75 0.00 2.61 2.65 0.00 0.00 6.77 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 9.10 4.80 0.00 2.70 2.64 0.00 0.00 7.48 9.03 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 68 D 8.47 4.15 0.00 2.83 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 0.00 0.00 0.00 69 N 9.02 4.51 0.00 2.71 2.87 0.00 0.00 6.60 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 70 K 8.10 4.63 0.00 1.80 1.69 0.00 1.65 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 1.36 1.33 7.81 71 T 8.26 4.42 3.46 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 0.98 0.00 0.00 72 W 7.90 3.90 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 8.87 4.87 0.00 2.69 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 74 K 8.16 5.01 0.00 1.80 1.66 0.00 1.90 0.00 0.00 1.90 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.33 7.81 75 N 10.24 5.97 0.00 3.01 3.25 0.00 0.00 6.62 7.55 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 76 V 8.71 3.32 2.41 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 1.04 0.00 0.00 1.17 0.00 0.00 77 K 7.86 3.52 0.00 1.77 1.53 0.00 1.27 0.00 0.00 1.40 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 0.98 7.81 78 D 8.19 4.31 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 79 L 6.86 4.02 0.00 0.27 0.13 0.41 0.80 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 80 N 7.61 4.32 0.00 2.74 2.87 0.00 0.00 6.94 6.98 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 81 Y 7.64 4.93 0.00 2.64 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 82 E 8.58 4.65 0.00 1.89 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 2.30 2.32 0.00 83 L 9.42 5.17 0.00 1.37 1.33 1.23 0.59 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 84 L 8.85 4.89 0.00 1.67 1.41 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.81 4.68 1.72 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.54 0.82 0.00 0.00 86 V 8.51 4.61 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.78 0.00 0.00 87 S 8.81 4.83 0.00 3.56 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 88 Q 9.55 4.65 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 89 F 8.38 4.57 0.00 3.26 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 6.98 3.57 3.90 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 0.10 0.00 0.00 91 L 7.64 3.87 0.00 1.80 1.58 1.12 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 92 F 7.96 4.75 0.00 3.27 3.17 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 93 G 8.42 4.06 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 0.00 0.00 0.00 94 N 9.61 4.94 0.00 2.78 2.69 0.00 0.00 6.37 7.46 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 95 T 8.31 4.62 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 1.21 0.00 0.00 96 K 8.32 4.02 0.00 1.98 1.91 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.38 7.81 97 K 7.91 4.24 0.00 1.67 1.67 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.44 7.81 98 G 8.55 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 99 N 8.55 4.74 0.00 2.69 2.80 0.00 0.00 6.65 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 4.40 0.00 1.65 1.64 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.35 7.81 101 P 0.00 4.42 0.00 2.24 2.09 0.00 3.77 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 2.10 2.11 0.00 102 D 8.17 4.39 0.00 2.49 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 7.79 5.57 0.00 3.25 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 0.00 104 H 8.16 4.38 0.00 3.33 3.35 0.00 5.67 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 0.00 105 L 7.97 4.07 0.00 1.62 1.49 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.35 4.19 1.45 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 0.00 107 K 8.71 4.05 0.00 1.93 1.75 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.62 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.33 7.81 108 E 8.64 4.33 0.00 2.07 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 2.31 2.33 0.00 109 P 0.00 4.49 0.00 2.25 2.33 0.00 3.59 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 2.09 2.13 0.00 110 N 8.16 4.32 0.00 2.74 2.87 0.00 0.00 7.08 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.15 4.00 0.00 2.13 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 2.40 2.37 0.00 112 A 8.54 4.20 1.55 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 0.00 0.00 113 L 8.12 2.65 0.00 0.58 1.54 0.47 0.78 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 0.00 114 I 7.37 3.69 1.88 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 1.41 1.06 0.98 0.00 0.00 115 F 8.60 4.31 0.00 3.30 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 8.81 4.24 0.00 3.38 3.17 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 0.00 117 N 8.57 4.41 0.00 3.06 2.88 0.00 0.00 7.13 7.08 0.00 0.00 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 7.94 4.05 0.00 1.92 1.66 0.00 1.53 0.00 0.00 1.60 0.00 0.00 2.25 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.32 1.59 7.81 119 I 7.96 3.68 1.96 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 1.16 0.30 0.98 0.00 0.00 120 I 8.00 3.75 1.91 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.58 0.89 0.00 0.00 121 D 8.24 4.40 0.00 2.80 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 0.00 122 E 8.12 4.03 0.00 2.44 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 2.13 2.21 0.00 123 F 8.05 4.10 0.00 3.39 3.05 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 0.00 124 K 8.22 4.13 0.00 1.88 1.89 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.66 7.81 125 K 8.26 4.12 0.00 1.93 1.98 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.55 7.81 126 Q 8.84 4.21 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 127 Y 8.58 4.83 0.00 2.99 2.55 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 0.00 128 N 8.81 4.68 0.00 2.64 2.11 0.00 0.00 6.50 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 8.54 4.31 0.00 2.76 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 0.00 130 D 8.31 4.54 0.00 2.63 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 0.00 131 K 7.51 4.35 0.00 0.79 1.51 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.91 0.65 7.81 132 I 7.80 4.75 1.90 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 1.46 0.90 0.80 0.00 0.00 133 K 9.44 4.80 0.00 1.63 1.64 0.00 1.43 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.36 7.81 134 I 7.74 5.02 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.46 0.99 0.00 0.00 135 G 8.08 4.14 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 0.00 136 K 8.48 4.64 0.00 1.73 1.72 0.00 1.82 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.44 7.81 137 F 8.95 3.91 0.00 2.81 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.56 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 7.72 5.06 0.00 2.67 2.72 0.00 0.00 7.09 7.46 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 0.00 140 Y 8.74 4.01 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 0.00 141 M 7.54 4.91 0.00 1.77 1.73 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 142 N 9.10 4.71 0.00 2.89 2.71 0.00 0.00 7.00 7.78 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 0.00 143 I 8.11 5.37 1.93 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 1.32 0.73 0.91 0.00 0.00 144 D 8.66 4.47 0.00 2.61 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 0.00 145 V 8.28 4.57 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 0.87 0.00 0.00 1.08 0.00 0.00 146 T 8.50 4.07 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 1.22 0.00 0.00 147 N 8.61 4.82 0.00 2.62 2.77 0.00 0.00 7.02 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 10.14 4.38 0.00 2.76 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 0.00 149 G 8.69 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 0.00 150 P 0.00 4.50 0.00 2.20 2.07 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 151 V 8.18 4.41 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 1.03 0.00 0.00 1.16 0.00 0.00 152 T 8.65 5.14 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 1.27 0.00 0.00 153 I 9.34 4.52 1.88 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 1.07 0.84 0.88 0.00 0.00 154 Y 8.54 5.29 0.00 2.85 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 7.98 4.29 1.84 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 1.12 0.43 0.93 0.00 0.00 156 D 7.89 5.04 0.00 2.31 2.37 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 0.00 157 T 9.27 3.65 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 1.12 0.00 0.00 158 H 8.54 4.21 0.00 3.39 3.46 0.00 5.84 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 0.00 159 D 7.64 4.73 0.00 2.54 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 0.00 160 I 7.21 4.59 1.74 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 1.09 0.58 0.84 0.00 0.00 161 N 8.61 4.53 0.00 2.67 2.68 0.00 0.00 6.62 7.56 0.00 0.00 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.