NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5568 8.1627 120.6028 55.7177 34.3067 173.5607 2 H 5.2599 8.7315 123.4188 52.7778 33.2320 170.4236 3 L 4.9730 9.6327 127.1271 52.9313 44.6424 174.9065 4 K 4.9549 8.7859 123.2384 54.8083 34.7629 175.4870 5 I 4.9464 8.5802 124.4555 59.5471 41.5419 174.2440 6 V 4.7252 8.5307 126.8029 60.7409 32.9604 174.2064 7 C 4.8162 8.5968 125.8204 58.9641 29.6798 173.9215 8 L 4.8436 8.7159 122.9554 54.5798 42.1607 176.0111 9 S 4.5439 7.5459 113.5409 56.3856 66.2023 175.3267 10 D 4.3255 8.6262 119.2777 57.0748 40.8825 177.0947 11 E 3.8677 8.2777 119.5401 59.7433 29.5363 179.0883 12 V 3.6219 7.6171 117.8640 65.9357 31.5544 177.8667 13 R 4.0853 8.3109 120.9825 60.0369 29.9028 178.5669 *14 E 3.9734 8.4038 118.3612 61.7999 29.4278 180.9466 15 M 3.8377 7.5842 118.1665 58.3930 31.9660 178.2813 16 Y 4.4641 7.9456 117.8207 61.1691 38.2270 178.5493 17 K 4.3335 8.4124 124.4692 59.2044 32.2993 181.4927 18 N 5.3968 7.9675 116.8845 52.3132 39.8040 176.3205 19 H 4.5011 8.4257 123.7004 56.7949 28.9292 174.4399 *20 K 4.4892 8.5763 126.5120 54.5599 31.6458 175.2095 21 T 4.6417 8.1063 106.7941 62.1969 69.2749 172.8397 22 H 4.7869 8.4869 121.3985 55.3604 30.8743 172.5362 *23 H 4.7512 8.5941 126.0897 54.4485 31.4658 175.1977 *24 E 4.2085 8.3588 112.6106 56.0128 31.3146 172.9597 *26 D 4.4250 8.0264 119.2716 54.2967 42.0127 176.2220 27 S 4.5776 8.0336 116.0147 58.5917 63.8628 173.8148 28 G 4.2299 7.6337 106.9571 44.1928 0.0000 171.9230 29 L 4.8733 8.7262 122.2719 52.7942 44.8303 175.4299 30 D 4.6701 8.8258 127.0067 54.4457 41.3551 175.8352 31 L 4.7220 8.5077 123.3065 53.1513 44.3769 175.5436 32 F 4.9814 8.3736 121.3068 56.2641 40.4208 176.0613 33 I 3.8266 8.8740 124.5795 62.3114 37.4043 176.7736 34 V 4.4454 8.5683 125.0044 63.8237 33.2083 175.4850 35 K 4.7221 7.7796 116.6801 54.6704 36.1592 175.6994 36 D 4.7803 8.6639 122.4019 55.0813 41.5938 175.8201 37 E 4.7415 8.9167 120.4312 54.8375 34.5650 174.1952 38 V 4.3839 8.3250 122.5480 61.4133 33.2935 174.6942 39 L 4.7274 8.7178 128.3495 52.7991 43.4454 176.5789 40 K 4.5433 8.7240 123.4340 55.8192 32.8734 175.0114 41 P 4.4103 0.0000 0.0000 62.8286 32.4847 175.8231 42 K 4.1310 8.3465 118.4658 56.7460 30.5168 174.2691 43 S 4.8655 7.6759 110.3935 56.7358 67.2683 172.6461 44 T 5.0051 8.3319 114.2086 60.5077 69.4598 173.0643 45 T 4.5123 8.6149 124.7825 61.7239 72.2019 173.1786 46 F 4.8078 8.8669 125.0395 56.3297 39.7172 175.5720 47 V 4.1328 8.8105 126.3839 61.3480 32.4307 175.3510 48 K 4.4615 8.7707 128.5047 56.6524 32.3547 177.0939 49 L 4.3748 8.9704 124.0947 53.7873 42.5347 177.3767 50 G 3.9955 9.7970 108.0355 45.4629 0.0000 172.9320 51 I 5.0082 7.3924 110.9287 59.3494 40.9228 173.5278 52 K 5.0934 8.9047 123.5197 55.2326 34.8149 175.4063 53 A 4.9447 8.3957 123.5111 50.9788 22.1575 175.3288 54 I 4.6436 8.7899 122.9211 59.1004 41.0668 174.0078 55 A 5.0244 8.4790 128.7651 50.0122 22.1377 174.9673 56 L 5.3609 8.8769 121.3700 53.1406 45.5169 175.8452 57 Q 4.7702 8.8861 120.8299 53.9665 33.7024 173.9838 58 Y 4.9246 8.2647 119.4312 58.4715 38.5853 176.5994 59 K 3.9038 9.7543 126.3337 58.2135 32.7803 177.5312 *60 S 4.6086 8.8340 122.9207 57.1329 64.8364 170.5725 *61 N 4.8275 8.6320 117.3170 53.0337 38.3942 172.5140 *62 Y 4.4002 8.2443 125.0468 54.9339 39.4254 172.3996 *63 Y 4.4236 8.1791 114.4201 58.9051 38.6170 172.3746 *80 N 4.7929 8.1276 117.2418 51.9263 39.6571 174.0226 81 I 4.8973 8.0912 120.6866 61.1315 38.2490 175.2411 82 V 4.6177 8.8232 119.6254 58.9963 35.8377 174.4569 83 N 5.0395 8.7039 120.9114 54.1598 39.4409 173.9882 84 T 4.8694 8.9146 119.7875 60.0938 70.8874 173.6927 85 S 4.8134 8.8045 122.7504 59.2989 64.5424 173.1667 86 F 5.2336 8.5942 116.4594 56.2182 41.7060 172.5663 87 L 5.1711 9.1357 117.1753 52.8943 45.9908 176.1185 88 L 5.0916 8.9030 123.8343 53.7146 44.4180 175.1984 89 F 4.9279 9.1548 125.7976 55.0149 41.5200 174.1772 90 P 4.6971 0.0000 0.0000 62.8333 32.1170 176.5052 91 R 4.1932 8.6696 121.8672 55.9481 31.2929 177.8120 92 S 4.1315 9.0508 118.9534 62.1505 62.8834 177.1828 93 S 4.3415 7.9879 114.8928 60.2231 62.9463 175.7449 94 I 3.7747 7.8443 123.1544 63.6488 37.4190 177.5417 95 S 4.1545 7.7556 114.3738 60.9422 62.7483 175.7579 96 K 4.2789 7.7256 119.9714 57.1288 32.7108 176.0141 97 T 4.5201 7.3199 109.9619 59.2728 71.5693 171.4873 98 P 4.6081 0.0000 0.0000 62.9718 32.3658 175.0635 99 L 4.9981 7.5909 120.0463 54.0786 43.3038 176.3571 100 R 4.6166 8.6538 120.4906 54.3018 35.2039 174.5552 101 L 4.4642 8.5535 122.3978 54.6262 41.7934 177.3438 102 A 4.0459 9.1232 128.9295 54.1906 18.3429 177.8331 103 N 4.6375 7.9937 109.8393 52.3125 37.1679 174.6688 104 S 3.8861 7.8233 116.5219 59.2569 62.1800 171.4218 105 I 4.4102 7.0601 118.8561 59.0508 40.5179 175.0546 106 G 3.5823 8.8463 115.1796 46.0795 0.0000 171.9620 107 L 4.9854 8.4002 127.0055 53.3728 44.1070 175.3692 108 I 4.1449 8.2356 128.5904 59.3127 39.0531 175.8147 109 D 4.8803 8.7607 126.2437 53.0823 41.6395 177.1968 110 A 4.1357 8.8462 124.4754 55.6190 18.3449 179.6951 111 G 3.7450 8.0358 102.7424 47.7612 0.0000 173.4005 112 Y 4.2355 7.9679 122.7766 57.8929 39.0815 176.0977 113 R 4.3955 7.7239 123.2312 55.3362 32.0724 175.5502 114 G 3.5355 5.5373 106.4423 43.5589 0.0000 172.8930 115 E 4.2472 8.4601 119.9081 56.5230 30.2139 176.1162 116 I 4.4250 8.6610 126.5436 61.1799 38.6978 175.0403 117 I 5.2125 8.2889 125.2378 59.6595 41.3680 174.1359 118 A 4.7016 9.0849 127.8335 50.2052 21.6892 175.7232 119 A 4.3685 8.6021 124.8902 50.8305 19.3790 175.1722 120 L 4.8324 8.4471 121.7257 54.0900 43.2458 175.9903 121 D 4.8057 9.0610 125.8028 54.0101 42.1129 175.2466 122 N 4.6396 8.9427 123.9956 52.9883 39.5548 175.0023 123 T 4.5637 8.7466 117.1666 61.9061 69.8598 174.9635 124 S 4.7264 8.1698 118.1017 57.4201 65.1604 174.9824 125 D 4.5714 8.7772 119.3731 55.8751 41.0564 176.4252 126 Q 4.8460 7.4139 117.3996 53.4340 31.5732 175.5060 127 E 4.4223 8.8763 120.6620 57.4513 30.6217 175.9492 128 Y 4.7130 8.9189 122.0083 56.3805 42.3566 173.4722 129 H 5.2828 8.0842 123.6999 54.3014 30.6097 174.3651 130 I 4.7911 8.3953 116.2514 59.0431 40.8435 174.5951 131 K 4.8925 8.9034 122.3985 53.9192 35.9229 175.6791 132 K 4.0371 8.2273 123.6025 58.6952 32.3620 176.8607 133 N 4.7011 9.3053 122.5584 53.0618 37.8773 174.5001 134 D 4.4900 7.7225 118.2705 55.2112 42.2167 176.2084 135 K 4.8129 8.5735 120.7331 53.7323 33.1084 175.4926 136 L 4.5765 8.3859 123.7413 54.9426 43.6991 175.9812 137 V 5.0797 7.4302 117.9514 61.6281 35.3775 172.9598 138 Q 5.0950 9.2939 122.5025 54.6245 32.4557 173.6572 139 L 4.9556 8.9203 121.9682 54.6919 43.3150 176.3755 140 V 4.7588 8.9305 115.6796 59.6578 36.5751 174.8271 141 S 4.7161 8.6081 117.9854 57.6039 63.2641 174.8177 142 F 4.0556 9.1823 125.7033 61.1529 38.7231 177.0944 143 T 4.0014 8.1188 108.3945 62.4204 68.8891 175.2498 144 G 3.8621 8.1622 110.0436 45.8864 0.0000 173.6835 145 E 4.2221 7.9648 117.9754 54.5746 30.4374 174.5454 146 P 4.3827 0.0000 0.0000 63.4466 31.9028 175.6509 147 L 5.1603 8.5236 121.6722 53.0460 43.8390 175.9855 148 S 5.1322 9.2028 117.2537 56.7813 66.6594 172.7118 149 F 5.7627 8.5069 114.1604 56.0038 40.5458 173.1561 150 E 4.6794 8.6726 118.8449 54.5463 32.6328 174.9078 151 L 5.0294 8.4086 120.6355 54.8858 42.9850 176.2277 152 V 4.4480 8.3219 119.8516 62.3196 34.8465 174.4753 153 E 4.1303 8.8821 124.7167 58.3462 29.9746 176.1473 154 E 4.6767 7.5714 113.5512 55.8308 31.7071 174.5079 155 L 4.5089 8.2663 121.6265 53.5373 43.5468 177.2001 *156 D 4.5510 8.4491 120.0618 53.5517 39.4587 177.0504 157 E 4.6534 8.7670 124.1159 55.6601 31.9654 176.9971 *158 T 4.2962 7.6233 113.0340 59.5405 70.1902 179.5739 *159 S 4.3436 8.4570 122.8988 57.6128 63.0141 172.2714 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 4.56 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.46 0.00 2 H 8.73 5.26 0.00 3.18 3.05 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.63 4.97 0.00 1.59 1.36 0.76 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.79 4.95 0.00 1.64 1.68 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.37 7.81 5 I 8.58 4.95 1.93 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.62 0.62 0.00 0.00 6 V 8.53 4.73 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 1.36 0.00 0.00 0.94 0.00 0.00 7 C 8.60 4.82 0.00 2.96 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.72 4.84 0.00 1.62 1.70 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.55 4.54 0.00 3.79 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.63 4.33 0.00 2.78 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 11 E 8.28 3.87 0.00 2.07 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 2.36 2.39 0.00 12 V 7.62 3.62 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 1.22 0.00 0.00 1.01 0.00 0.00 13 R 8.31 4.09 0.00 2.10 2.12 0.00 3.21 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 *14 E 8.40 3.97 0.00 2.00 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 2.25 2.25 0.00 15 M 7.58 3.84 0.00 0.51 1.66 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.15 0.00 16 Y 7.95 4.46 0.00 3.15 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 17 K 8.41 4.33 0.00 1.84 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.35 7.81 18 N 7.97 5.40 0.00 2.67 2.86 0.00 0.00 7.04 7.91 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 19 H 8.43 4.50 0.00 3.58 3.55 0.00 5.74 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 K 8.58 4.49 0.00 1.81 1.66 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 0.99 7.81 21 T 8.11 4.64 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 1.25 0.00 0.00 22 H 8.49 4.79 0.00 2.93 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *23 H 8.59 4.75 0.00 3.15 2.97 0.00 7.34 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *24 E 8.36 4.21 0.00 1.73 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 2.13 2.40 0.00 *26 D 8.03 4.42 0.00 2.57 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 27 S 8.03 4.58 0.00 4.05 3.92 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 0.00 0.00 0.00 0.00 28 G 7.63 4.23 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 0.00 0.00 0.00 29 L 8.73 4.87 0.00 1.71 1.44 0.53 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.83 4.67 0.00 2.46 2.33 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 31 L 8.51 4.72 0.00 1.64 1.68 0.98 1.00 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 32 F 8.37 4.98 0.00 2.90 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 33 I 8.87 3.83 2.09 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 1.34 0.85 0.98 0.00 0.00 34 V 8.57 4.45 2.17 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 0.85 0.00 0.00 1.14 0.00 0.00 35 K 7.78 4.72 0.00 1.91 1.65 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.35 1.04 7.81 36 D 8.66 4.78 0.00 2.53 2.59 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 0.00 0.00 0.00 0.00 37 E 8.92 4.74 0.00 1.92 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 38 V 8.33 4.38 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 0.80 0.00 0.00 0.72 0.00 0.00 39 L 8.72 4.73 0.00 1.80 1.60 0.99 0.95 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 40 K 8.72 4.54 0.00 1.62 1.76 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.52 7.81 41 P 0.00 4.41 0.00 2.16 2.19 0.00 3.92 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 1.99 2.01 0.00 42 K 8.35 4.13 0.00 1.89 1.87 0.00 1.59 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.54 1.31 7.81 43 S 7.68 4.87 0.00 3.83 3.93 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 44 T 8.33 5.01 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 1.19 0.00 0.00 45 T 8.61 4.51 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 46 F 8.87 4.81 0.00 2.95 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 47 V 8.81 4.13 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 1.09 0.00 0.00 0.95 0.00 0.00 48 K 8.77 4.46 0.00 1.74 2.03 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.54 7.81 49 L 8.97 4.37 0.00 1.70 1.81 0.98 0.88 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 50 G 9.80 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.39 5.01 1.77 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 1.36 0.66 0.79 0.00 0.00 52 K 8.90 5.09 0.00 1.69 1.81 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.35 7.81 53 A 8.40 4.94 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 54 I 8.79 4.64 1.90 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 1.15 1.80 0.93 0.00 0.00 55 A 8.48 5.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.88 5.36 0.00 1.65 1.53 0.95 0.96 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 57 Q 8.89 4.77 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 58 Y 8.26 4.92 0.00 2.88 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 59 K 9.75 3.90 0.00 1.65 1.82 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.47 7.81 *60 S 8.83 4.61 0.00 3.61 3.65 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 *61 N 8.63 4.83 0.00 2.71 2.63 0.00 0.00 6.41 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 *62 Y 8.24 4.40 0.00 2.32 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 0.00 0.00 0.00 0.00 *63 Y 8.18 4.42 0.00 2.07 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 *80 N 8.13 4.79 0.00 2.62 2.75 0.00 0.00 6.99 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 81 I 8.09 4.90 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.13 0.95 0.00 0.00 82 V 8.82 4.62 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 0.73 0.00 0.00 1.07 0.00 0.00 83 N 8.70 5.04 0.00 2.76 2.77 0.00 0.00 6.68 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 84 T 8.91 4.87 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 1.36 0.00 0.00 85 S 8.80 4.81 0.00 3.93 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 86 F 8.59 5.23 0.00 3.27 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 9.14 5.17 0.00 1.81 1.52 0.35 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.90 5.09 0.00 1.69 1.45 0.97 0.86 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 89 F 9.15 4.93 0.00 2.94 2.92 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 0.00 0.00 0.00 0.00 90 P 0.00 4.70 0.00 1.96 1.98 0.00 3.71 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 91 R 8.67 4.19 0.00 1.79 1.83 0.00 3.26 0.00 0.00 3.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 92 S 9.05 4.13 0.00 3.85 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 93 S 7.99 4.34 0.00 4.05 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 I 7.84 3.77 1.86 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 1.51 1.29 0.90 0.00 0.00 95 S 7.76 4.15 0.00 4.09 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 96 K 7.73 4.28 0.00 1.94 1.97 0.00 1.56 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.47 7.81 97 T 7.32 4.52 3.64 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 1.22 0.00 0.00 98 P 0.00 4.61 0.00 2.12 2.18 0.00 2.64 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.80 0.00 99 L 7.59 5.00 0.00 1.41 1.52 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.65 4.62 0.00 1.60 1.69 0.00 3.24 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.68 0.00 101 L 8.55 4.46 0.00 1.54 1.56 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 102 A 9.12 4.05 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 0.00 103 N 7.99 4.64 0.00 2.79 2.88 0.00 0.00 6.04 7.64 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 0.00 104 S 7.82 3.89 0.00 3.94 3.85 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 0.00 105 I 7.06 4.41 1.56 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.40 0.30 0.00 0.00 106 G 8.85 3.58 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 0.00 0.00 0.00 107 L 8.40 4.99 0.00 1.58 1.51 1.16 1.08 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 0.00 108 I 8.24 4.14 0.74 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.48 0.54 0.00 0.00 109 D 8.76 4.88 0.00 2.73 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 0.00 110 A 8.85 4.14 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.04 3.75 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 0.00 0.00 0.00 112 Y 7.97 4.24 0.00 3.00 2.92 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 0.00 0.00 0.00 0.00 113 R 7.72 4.40 0.00 1.66 1.79 0.00 3.40 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.47 0.00 114 G 5.54 3.54 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 0.00 0.00 0.00 115 E 8.46 4.25 0.00 1.97 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 2.37 2.53 0.00 116 I 8.66 4.43 1.97 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.66 1.00 0.00 0.00 117 I 8.29 5.21 1.93 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 1.36 0.83 1.13 0.00 0.00 118 A 9.08 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.60 4.37 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.45 4.83 0.00 1.54 1.55 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 121 D 9.06 4.81 0.00 2.60 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 0.00 122 N 8.94 4.64 0.00 2.86 2.82 0.00 0.00 6.47 6.55 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 0.00 123 T 8.75 4.56 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 1.15 0.00 0.00 124 S 8.17 4.73 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.78 4.57 0.00 2.70 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 0.00 126 Q 7.41 4.85 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.17 0.00 127 E 8.88 4.42 0.00 1.92 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 2.35 2.36 0.00 128 Y 8.92 4.71 0.00 3.08 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 0.00 129 H 8.08 5.28 0.00 2.78 3.08 0.00 5.72 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 0.00 130 I 8.40 4.79 1.95 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 1.45 0.77 1.12 0.00 0.00 131 K 8.90 4.89 0.00 1.95 1.70 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.37 7.81 132 K 8.23 4.04 0.00 1.78 1.74 0.00 1.91 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.52 7.81 133 N 9.31 4.70 0.00 2.85 3.05 0.00 0.00 7.01 8.08 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 0.00 134 D 7.72 4.49 0.00 2.90 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 0.00 135 K 8.57 4.81 0.00 1.57 1.64 0.00 1.43 0.00 0.00 2.23 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.08 1.48 7.81 136 L 8.39 4.58 0.00 1.62 1.70 0.98 0.77 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 0.00 137 V 7.43 5.08 2.10 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 1.00 0.00 0.00 0.94 0.00 0.00 138 Q 9.29 5.09 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 139 L 8.92 4.96 0.00 1.65 1.64 1.05 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.93 4.76 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 0.51 0.00 0.00 0.72 0.00 0.00 141 S 8.61 4.72 0.00 3.88 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 0.00 142 F 9.18 4.06 0.00 3.17 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 0.00 143 T 8.12 4.00 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 1.38 0.00 0.00 144 G 8.16 3.86 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 0.00 0.00 0.00 145 E 7.96 4.22 0.00 2.18 2.10 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 2.29 2.30 0.00 146 P 0.00 4.38 0.00 2.05 2.05 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 147 L 8.52 5.16 0.00 1.60 1.63 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 148 S 9.20 5.13 0.00 3.85 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 F 8.51 5.76 0.00 2.96 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 0.00 150 E 8.67 4.68 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 2.36 2.34 0.00 151 L 8.41 5.03 0.00 1.62 1.70 1.13 1.04 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 0.00 152 V 8.32 4.45 2.08 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 0.88 0.00 0.00 0.96 0.00 0.00 153 E 8.88 4.13 0.00 2.00 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 2.30 2.24 0.00 154 E 7.57 4.68 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 2.11 2.25 0.00 155 L 8.27 4.51 0.00 1.63 1.61 0.90 0.98 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 *156 D 8.45 4.55 0.00 2.70 2.49 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 0.00 157 E 8.77 4.65 0.00 1.86 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 2.17 2.25 0.00 *158 T 7.62 4.30 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *159 S 8.46 4.34 0.00 3.59 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 * Residues marked with a * may have inaccurate shift predictions.