NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3147 8.4444 120.2254 56.0376 31.0901 174.9468 4 K 3.9013 8.3573 119.1785 57.5234 32.4932 174.6562 5 R 4.1512 8.7323 119.2558 56.6820 31.3516 175.3205 6 N 4.6290 8.7117 122.2077 53.4956 40.2316 173.8474 7 I 4.6361 8.3953 122.3717 59.6090 40.5819 174.3823 8 F 5.6352 8.9359 126.7040 55.8559 41.4554 174.6572 9 L 5.1953 9.4044 124.7517 53.5625 43.3270 176.2850 10 V 4.7184 10.1829 116.9580 59.0620 35.8078 175.2559 11 G 3.9425 8.0205 109.8002 42.5798 0.0000 170.6454 12 P 4.5789 0.0000 0.0000 61.8514 32.1137 175.7086 13 M 4.1470 8.3397 116.9479 57.0556 31.3687 176.7061 14 G 3.8949 9.0401 109.6171 45.4488 0.0000 173.8636 15 A 4.1264 7.0147 121.5385 52.4229 19.0032 179.0818 16 G 3.9676 8.3112 104.1210 45.8033 0.0000 175.5418 17 K 3.9302 8.3709 120.8114 59.5249 32.0253 179.2219 18 S 4.3317 8.0414 114.6079 61.9104 62.7740 176.7729 19 T 3.7552 7.7309 117.8538 66.7761 68.3266 176.8316 20 I 3.8170 8.2392 122.3172 64.1804 37.0230 178.7987 21 G 3.6869 8.2180 106.7389 47.7727 0.0000 176.0762 22 R 3.3203 7.4582 120.2982 58.8752 29.9746 179.1524 23 Q 3.9454 7.6751 117.8163 58.7470 28.5910 178.8239 24 L 3.9305 8.0235 119.7503 57.8319 41.6539 179.3025 25 A 4.0314 8.1461 120.7319 55.5120 18.1697 179.7662 26 Q 3.7535 8.1775 116.3950 59.1257 28.5842 178.8176 27 Q 4.1571 8.1759 118.2811 57.8710 28.8601 177.4711 28 L 4.4469 7.9269 117.4082 53.1744 42.9796 175.8097 29 N 4.1512 7.6163 114.0263 55.2255 36.2860 172.4463 30 M 4.9340 8.5846 116.3631 53.2603 36.4893 176.6443 31 E 4.3825 8.6222 119.0633 56.1067 31.0617 175.8414 32 F 5.4434 8.5740 125.2690 56.8265 41.6634 174.1223 33 Y 4.2919 8.0378 121.8271 56.0110 42.8938 173.8472 34 D 5.0215 8.1840 120.6639 51.8298 43.8793 176.2094 35 S 4.1404 8.9060 122.7786 61.8250 62.7891 176.3721 36 D 4.4453 8.6582 122.5331 57.3761 40.5616 178.7478 37 Q 4.0840 8.1770 118.1299 58.8214 28.7752 178.1867 38 E 4.0117 8.2866 120.5618 59.1131 29.6539 178.9428 39 I 3.7131 7.8082 120.0830 64.3944 37.0856 178.2387 40 E 4.4783 8.2063 120.8355 58.8263 29.0486 179.3476 41 K 3.9495 7.9706 118.8748 59.4955 32.3464 178.7306 42 R 4.1806 8.0406 117.4524 57.9802 30.2356 177.8112 43 T 4.5359 7.9420 107.3891 60.3836 69.7537 175.0951 44 G 3.8842 8.3744 109.3020 46.1558 0.0000 172.9268 45 A 4.6026 7.6063 121.2451 48.6056 22.6660 175.9403 46 D 4.7842 8.4995 118.4528 54.5531 42.9018 177.6993 47 V 3.9921 9.4069 127.4948 65.2107 31.3349 179.0891 48 G 3.6505 8.7968 106.6160 47.0233 0.0000 175.5907 49 W 4.1110 8.4062 130.2829 60.3742 30.7931 178.1274 50 V 3.6067 8.3101 118.3797 65.8137 30.9172 177.7213 51 F 3.8773 8.4146 120.3663 61.4269 39.0139 176.7766 52 D 4.2240 8.0540 117.0952 57.3657 40.6852 178.6712 53 L 3.8294 7.3255 118.2827 57.5447 41.7139 178.9051 54 E 4.0841 8.0647 116.9870 55.9037 30.0325 178.1107 55 G 3.7883 7.4530 104.1871 45.2694 0.0000 174.0105 56 E 3.6552 8.2985 119.1486 59.2332 29.5324 178.3936 57 E 3.9753 8.2449 118.6265 59.6242 29.6097 179.0276 58 G 3.5841 7.9438 104.8933 47.5396 0.0000 175.1862 59 F 3.9993 8.2541 123.0228 61.2662 39.4747 177.3855 60 R 4.0997 8.7079 118.0470 59.3827 29.8344 178.8740 61 D 4.2860 7.9780 118.1202 57.3372 40.8231 178.7165 62 R 3.7633 7.8255 119.1621 59.3427 29.6628 178.0833 63 E 3.6795 8.2321 119.4456 59.1968 29.5370 178.3448 64 E 3.8865 8.2325 119.3515 59.2207 29.6716 179.0375 65 K 3.9014 7.9509 118.4947 59.2653 32.0687 179.4506 66 V 3.4757 7.8048 118.5843 66.1895 31.3909 178.2073 67 I 3.5462 7.9031 119.7355 64.1434 36.6531 177.8252 68 N 4.1798 8.0143 117.1665 56.8345 38.9254 176.4927 69 E 4.3255 7.9317 121.0930 58.8285 29.5244 179.3342 70 L 3.7271 7.9364 119.4166 57.8124 41.4849 179.4872 71 T 4.0505 7.7251 107.9337 63.8791 68.4606 175.6249 72 E 4.2466 7.7767 121.3187 56.9623 29.6019 176.7101 73 K 4.2425 7.5179 118.6877 55.9518 33.0402 175.9453 74 Q 4.5922 8.0899 118.1797 55.3345 31.7064 175.8113 75 G 4.3545 8.8533 109.2408 47.9565 0.0000 172.7443 76 I 5.0561 8.8477 111.8620 58.6736 41.6252 174.3712 77 V 4.9721 9.2155 123.3348 61.1966 33.9356 173.8624 78 L 5.1339 9.4226 130.3874 53.2679 44.8295 174.8318 79 A 5.0654 9.0264 129.5297 51.0093 19.7682 176.2991 80 T 4.5282 8.4696 112.7772 61.0659 70.6098 175.5901 81 G 3.8393 8.6201 112.3711 45.4956 0.0000 174.8684 82 G 3.8839 9.0380 111.6276 48.0959 0.0000 174.5959 83 G 4.0791 8.0460 106.6972 44.9453 0.0000 175.3780 84 S 4.4777 7.9807 116.1453 60.3887 63.0693 176.4438 85 V 3.9718 7.7197 112.4250 62.5118 31.6600 177.1848 86 K 3.9891 7.8476 119.9450 59.1671 32.2711 178.2449 87 S 4.2606 7.7435 113.4249 57.7222 63.2027 174.8742 88 R 3.9326 8.6132 126.8102 59.5088 29.2949 178.6830 89 E 3.9600 8.1024 118.7745 59.4181 29.4923 179.2595 90 T 3.8541 7.9313 116.0278 66.5652 68.5064 176.8734 91 R 3.9839 8.0476 118.0384 59.4904 29.3680 178.7236 92 N 4.4260 8.3010 117.1217 55.8908 38.4116 177.7550 93 R 3.9493 8.0372 119.7141 59.0412 30.3052 178.8886 94 L 4.0120 8.3143 119.4980 57.8226 41.4504 179.7257 95 S 4.2876 7.9159 112.4552 61.6994 63.0104 176.1924 96 A 4.1802 7.9460 123.3699 53.9703 18.2479 178.8135 97 R 4.5256 8.1637 114.3785 56.1516 30.8895 175.8065 98 G 3.4194 7.2097 103.4520 45.7577 0.0000 172.7223 99 V 4.2209 7.7539 120.6848 61.9389 32.8492 175.3554 100 V 4.5381 9.8157 129.9834 62.1519 32.8349 174.6391 101 V 4.7589 9.1349 129.3271 61.4652 33.5349 173.6960 102 Y 5.0283 9.2402 130.9265 56.6812 39.9703 174.5818 103 L 4.5187 8.7018 128.8304 53.1462 41.0485 175.2397 104 E 3.3181 8.1877 124.7372 56.0232 29.8461 176.0537 105 T 4.5979 8.2709 122.7293 61.1150 72.4131 173.8294 106 T 4.1368 8.2180 115.9926 61.3350 71.2348 175.6858 107 I 3.7009 8.2568 122.6315 64.4449 36.8874 178.1144 108 E 3.8993 8.1108 118.7042 59.3952 29.7939 178.4114 109 K 4.0658 7.9958 119.3984 59.6323 31.9962 178.7088 110 Q 4.0443 7.8645 117.4514 58.7040 28.7100 178.0832 111 L 4.1955 7.6296 117.1918 54.8332 42.2868 176.8418 112 A 4.5057 7.5813 122.3854 51.4596 19.8761 179.0297 113 R 3.8763 7.9400 120.0969 59.0960 31.3833 179.2969 114 T 4.1607 7.5348 108.1329 60.3381 68.3241 171.3354 *121 P 4.1903 0.0000 0.0000 62.4415 32.5603 175.7489 122 L 4.6921 8.2343 121.0168 52.6526 43.7268 176.4728 123 L 3.9346 8.5436 126.5038 57.3457 42.3840 176.3568 124 H 5.1074 7.6504 114.4480 53.5215 32.0114 173.2095 125 V 3.7640 8.8238 124.4888 65.1901 31.6259 175.7469 126 E 4.8169 7.6922 116.2165 54.1896 32.6932 175.8313 127 T 3.9922 8.3497 118.0436 63.2324 69.0998 172.4683 128 P 4.7542 0.0000 0.0000 60.3641 34.0648 173.2422 129 P 4.4749 0.0000 0.0000 62.2557 32.0352 177.7474 130 R 3.9320 8.7795 119.9212 59.8851 29.8908 178.8961 131 E 3.9283 8.2876 117.5101 59.6329 29.3267 179.6269 132 V 3.5784 7.7129 117.6441 66.0672 31.6470 178.1854 133 L 4.0046 7.8507 118.2419 57.7119 41.5060 179.2280 134 E 3.9845 8.5388 118.7445 59.2767 29.1028 179.1753 135 A 4.0078 8.1825 120.8935 55.1004 18.4066 179.7167 136 L 3.9914 8.2563 117.5066 57.9557 41.6446 179.6238 137 A 4.1646 8.2072 120.6854 55.2594 18.0505 179.4603 138 N 4.2758 8.0033 114.3287 56.0584 38.6021 176.7367 139 E 4.1324 7.5451 118.6329 58.6151 30.2246 178.0152 140 R 3.8951 8.2921 117.9024 58.0324 30.4894 178.3147 141 N 4.4481 8.3328 117.1139 56.0432 38.6332 175.5275 142 P 4.2914 0.0000 0.0000 65.5219 31.3358 178.5907 143 L 3.8632 7.4085 118.6399 57.7604 41.5934 178.6418 144 Y 4.1674 7.3964 116.6635 61.1794 37.4528 178.6452 145 E 4.0392 7.8880 118.2120 59.2021 29.5786 178.0923 146 E 4.0484 8.0061 119.5248 58.3955 29.7645 177.2994 147 I 4.2529 7.1279 107.6719 60.2701 38.5879 175.6539 148 A 4.1940 7.7369 125.4348 52.8359 18.6073 176.8927 149 D 4.8002 9.2045 123.0500 55.2722 42.7173 177.5113 150 V 4.5464 7.7040 117.2915 61.2918 35.1559 174.3075 151 T 5.0632 8.6870 123.3202 61.9938 71.0817 173.4568 152 I 4.6588 8.2960 128.5826 60.4077 41.2850 174.8913 *158 S 4.4007 8.5812 119.0805 58.8004 64.3753 174.8221 159 A 3.9533 8.3570 122.6603 55.1293 18.0848 180.1069 160 K 3.8124 7.9686 116.5561 59.5826 32.1763 179.4414 161 V 3.5049 7.6673 118.2437 66.1007 31.4669 178.1483 162 V 3.7982 7.9956 119.0280 65.3034 31.3273 177.6699 163 A 3.9613 8.4329 120.8256 55.4919 18.1926 179.4820 164 N 4.2735 8.1700 114.7967 56.1777 37.9895 177.8554 165 Q 3.9391 8.0699 119.7256 58.9323 28.7935 178.6185 166 I 3.7109 8.0457 121.1797 64.5335 37.2904 178.3818 167 I 3.6849 7.7023 120.4127 64.9527 36.7376 178.2306 168 H 4.6174 8.1266 117.2944 58.6461 28.5307 177.5192 169 M 4.2488 7.9120 119.9034 58.2229 31.8995 178.4783 170 L 4.1653 7.9122 118.1249 57.0229 41.6997 177.5107 171 E 4.2979 8.0374 123.2741 56.5378 29.3612 176.2636 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 3 E 8.44 4.31 0.00 1.96 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 2.21 2.30 0.00 4 K 8.36 3.90 0.00 1.91 1.79 0.00 1.66 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.55 7.81 5 R 8.73 4.15 0.00 1.82 1.79 0.00 3.32 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 6 N 8.71 4.63 0.00 2.36 2.00 0.00 0.00 6.88 7.21 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 7 I 8.40 4.64 1.89 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 1.17 0.77 0.94 0.00 0.00 8 F 8.94 5.64 0.00 3.00 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 9 L 9.40 5.20 0.00 1.66 1.66 1.09 0.73 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 10 V 10.18 4.72 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 0.82 0.00 0.00 1.08 0.00 0.00 11 G 8.02 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 12 P 0.00 4.58 0.00 2.30 2.37 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 13 M 8.34 4.15 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 14 G 9.04 3.89 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 0.00 0.00 0.00 15 A 7.01 4.13 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.31 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.37 3.93 0.00 1.88 1.98 0.00 1.91 0.00 0.00 2.02 0.00 0.00 3.05 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.57 1.56 7.81 18 S 8.04 4.33 0.00 3.92 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.73 3.76 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 1.16 0.00 0.00 20 I 8.24 3.82 1.99 0.00 0.00 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 1.42 0.72 0.90 0.00 0.00 21 G 8.22 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 22 R 7.46 3.32 0.00 1.54 1.65 0.00 2.91 0.00 0.00 2.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.87 0.00 23 Q 7.68 3.95 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 24 L 8.02 3.93 0.00 1.90 1.73 0.95 0.66 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 25 A 8.15 4.03 1.49 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 0.00 0.00 26 Q 8.18 3.75 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 27 Q 8.18 4.16 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.66 0.00 28 L 7.93 4.45 0.00 1.69 1.69 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.62 4.15 0.00 2.91 2.88 0.00 0.00 6.70 7.54 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 30 M 8.58 4.93 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.50 0.00 31 E 8.62 4.38 0.00 2.05 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 2.35 2.33 0.00 32 F 8.57 5.44 0.00 2.96 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 Y 8.04 4.29 0.00 2.77 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 5.02 0.00 2.66 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 35 S 8.91 4.14 0.00 4.06 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 36 D 8.66 4.45 0.00 2.94 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 37 Q 8.18 4.08 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 38 E 8.29 4.01 0.00 2.13 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 0.00 2.25 2.36 0.00 39 I 7.81 3.71 2.08 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.64 0.93 0.00 0.00 40 E 8.21 4.48 0.00 2.22 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 2.59 2.53 0.00 41 K 7.97 3.95 0.00 1.88 2.05 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.50 7.81 42 R 8.04 4.18 0.00 1.84 1.97 0.00 3.15 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 43 T 7.94 4.54 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 44 G 8.37 3.88 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 0.00 0.00 0.00 45 A 7.61 4.60 1.07 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 0.00 0.00 46 D 8.50 4.78 0.00 2.76 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 47 V 9.41 3.99 2.23 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 0.86 0.00 0.00 1.31 0.00 0.00 48 G 8.80 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 0.00 0.00 0.00 49 W 8.41 4.11 0.00 3.47 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.31 3.61 2.60 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 1.22 0.00 0.00 1.32 0.00 0.00 51 F 8.41 3.88 0.00 2.62 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 52 D 8.05 4.22 0.00 2.52 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 53 L 7.33 3.83 0.00 0.84 1.18 0.68 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.06 4.08 0.00 2.08 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 2.27 2.24 0.00 55 G 7.45 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.30 3.66 0.00 1.99 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 2.40 2.47 0.00 57 E 8.24 3.98 0.00 2.04 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 2.36 2.38 0.00 58 G 7.94 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 59 F 8.25 4.00 0.00 3.23 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 60 R 8.71 4.10 0.00 1.91 2.03 0.00 3.49 0.00 0.00 3.56 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 61 D 7.98 4.29 0.00 2.84 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 62 R 7.83 3.76 0.00 1.79 1.85 0.00 2.89 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 63 E 8.23 3.68 0.00 1.62 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 2.26 2.25 0.00 64 E 8.23 3.89 0.00 2.22 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 2.27 2.32 0.00 65 K 7.95 3.90 0.00 1.92 1.78 0.00 1.70 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.54 7.81 66 V 7.80 3.48 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 1.02 0.00 0.00 0.85 0.00 0.00 67 I 7.90 3.55 1.77 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 1.30 0.50 0.72 0.00 0.00 68 N 8.01 4.18 0.00 2.68 2.96 0.00 0.00 7.29 7.77 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 69 E 7.93 4.33 0.00 2.13 1.89 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 2.27 2.27 0.00 70 L 7.94 3.73 0.00 1.46 1.42 0.78 0.00 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 71 T 7.73 4.05 4.19 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 0.51 0.00 0.00 72 E 7.78 4.25 0.00 2.11 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 2.31 2.62 0.00 73 K 7.52 4.24 0.00 1.83 1.77 0.00 1.13 0.00 0.00 1.60 0.00 0.00 2.64 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.40 1.33 7.81 74 Q 8.09 4.59 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 75 G 8.85 4.35 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 0.00 0.00 0.00 76 I 8.85 5.06 2.17 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.14 1.08 0.00 0.00 77 V 9.22 4.97 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 1.29 0.00 0.00 1.02 0.00 0.00 78 L 9.42 5.13 0.00 1.92 1.81 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 79 A 9.03 5.07 1.53 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 0.00 0.00 80 T 8.47 4.53 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 1.13 0.00 0.00 81 G 8.62 3.84 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 0.00 82 G 9.04 3.88 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 0.00 0.00 0.00 83 G 8.05 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 7.98 4.48 0.00 4.04 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 0.00 85 V 7.72 3.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.64 0.00 0.00 86 K 7.85 3.99 0.00 1.79 1.87 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.53 7.81 87 S 7.74 4.26 0.00 3.96 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.61 3.93 0.00 2.06 2.16 0.00 3.01 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 89 E 8.10 3.96 0.00 2.01 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 2.39 2.39 0.00 90 T 7.93 3.85 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 1.20 0.00 0.00 91 R 8.05 3.98 0.00 2.05 2.17 0.00 2.74 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.67 0.00 92 N 8.30 4.43 0.00 2.90 2.91 0.00 0.00 7.01 7.13 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 93 R 8.04 3.95 0.00 2.03 1.94 0.00 3.18 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 94 L 8.31 4.01 0.00 1.85 1.84 0.91 0.24 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 95 S 7.92 4.29 0.00 4.08 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 96 A 7.95 4.18 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.16 4.53 0.00 2.21 2.36 0.00 3.25 0.00 0.00 3.35 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 98 G 7.21 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.75 4.22 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 0.97 0.00 0.00 0.87 0.00 0.00 100 V 9.82 4.54 2.34 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 1.00 0.00 0.00 1.12 0.00 0.00 101 V 9.13 4.76 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 0.99 0.00 0.00 0.96 0.00 0.00 102 Y 9.24 5.03 0.00 2.97 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 0.00 103 L 8.70 4.52 0.00 1.49 1.53 0.96 1.01 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 0.00 104 E 8.19 3.32 0.00 1.16 1.64 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 2.19 2.17 0.00 105 T 8.27 4.60 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 1.19 0.00 0.00 106 T 8.22 4.14 4.24 0.00 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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 *121 P 0.00 4.19 0.00 2.15 2.26 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.31 0.00 122 L 8.23 4.69 0.00 1.57 1.56 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.54 3.93 0.00 1.54 1.34 0.33 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 124 H 7.65 5.11 0.00 3.04 3.08 0.00 5.96 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.82 3.76 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 0.82 0.00 0.00 0.97 0.00 0.00 126 E 7.69 4.82 0.00 1.93 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 0.00 2.20 2.35 0.00 127 T 8.35 3.99 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 0.00 128 P 0.00 4.75 0.00 2.13 2.01 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 137 A 8.21 4.16 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 0.00 138 N 8.00 4.28 0.00 2.88 2.90 0.00 0.00 6.96 7.68 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 0.00 139 E 7.55 4.13 0.00 1.98 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 2.22 2.29 0.00 140 R 8.29 3.90 0.00 1.76 1.24 0.00 3.21 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.74 0.00 141 N 8.33 4.45 0.00 2.88 3.00 0.00 0.00 6.66 8.89 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 0.00 142 P 0.00 4.29 0.00 2.21 2.28 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 143 L 7.41 3.86 0.00 1.43 1.53 0.76 0.84 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 0.00 144 Y 7.40 4.17 0.00 2.23 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 4.04 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 146 E 8.01 4.05 0.00 2.08 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 0.00 2.32 2.25 0.00 147 I 7.13 4.25 1.92 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 1.52 0.85 0.92 0.00 0.00 148 A 7.74 4.19 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.20 4.80 0.00 2.67 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 0.00 150 V 7.70 4.55 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 0.91 0.00 0.00 0.95 0.00 0.00 151 T 8.69 5.06 4.28 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 1.17 0.00 0.00 152 I 8.30 4.66 1.78 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 1.25 1.09 0.86 0.00 0.00 *158 S 8.58 4.40 0.00 4.00 4.02 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 0.00 0.00 0.00 159 A 8.36 3.95 1.29 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 0.00 0.00 160 K 7.97 3.81 0.00 1.78 1.85 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.51 7.81 161 V 7.67 3.50 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 0.98 0.00 0.00 0.91 0.00 0.00 162 V 8.00 3.80 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 1.16 0.00 0.00 0.93 0.00 0.00 163 A 8.43 3.96 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 0.00 164 N 8.17 4.27 0.00 2.68 2.69 0.00 0.00 7.09 7.72 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 0.00 165 Q 8.07 3.94 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 166 I 8.05 3.71 2.01 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 1.51 0.74 0.91 0.00 0.00 167 I 7.70 3.68 1.98 0.00 0.00 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 1.51 1.27 0.91 0.00 0.00 168 H 8.13 4.62 0.00 3.25 3.33 0.00 5.63 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 M 7.91 4.25 0.00 2.01 2.29 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.59 0.00 170 L 7.91 4.17 0.00 1.76 1.73 0.91 0.79 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 0.00 171 E 8.04 4.30 0.00 2.23 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 2.34 2.62 0.00 * Residues marked with a * may have inaccurate shift predictions.