NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.3908 8.3193 115.4105 58.3106 64.2921 171.7376 6 I 4.3833 7.8357 113.9308 57.2949 40.1300 173.1044 7 T 4.3850 7.9794 110.2202 60.8551 70.8900 175.3174 8 N 4.7529 8.4576 119.0576 52.4292 37.8409 174.3561 9 V 4.5039 7.2953 117.6086 61.5357 34.6660 174.2417 10 K 4.5703 8.2312 124.9143 54.5664 36.8075 174.7943 11 Y 5.2384 8.4436 118.8494 57.7683 39.2165 174.9395 12 L 4.6525 9.2585 125.2331 53.1465 45.1410 175.2341 13 D 4.7429 9.2204 126.1606 53.0075 42.2211 175.0478 14 P 4.4741 0.0000 0.0000 66.4005 31.2824 178.9700 15 T 4.1205 7.9534 109.1097 64.0872 68.5881 176.4082 16 E 3.5938 7.9475 121.4892 58.8431 29.3112 178.6041 17 L 3.0094 7.1883 118.4315 58.1544 42.1157 177.8784 18 H 4.0900 8.2156 117.1180 59.2964 29.8932 176.6531 19 R 4.0597 7.7191 120.2318 59.1838 29.7636 179.3526 20 W 5.0017 7.7978 117.4870 56.8930 28.5787 178.0245 *22 Q 4.2151 8.0278 119.9468 55.8609 30.0228 176.4486 23 E 4.1061 8.3907 115.8654 56.9044 29.9280 177.5540 24 G 3.9932 9.7555 107.1063 44.9691 0.0000 172.2598 25 H 4.7497 7.3299 113.3906 54.7401 30.8033 173.4428 26 T 2.4902 7.9424 110.7962 61.5395 69.0036 175.8172 27 T 4.0390 8.2893 119.6794 67.3583 68.9731 176.7215 28 T 4.0377 8.0330 116.0546 66.3878 68.5759 175.6433 29 L 4.4081 7.6919 116.9045 53.7564 42.5667 176.4623 30 R 4.4293 7.6048 115.5553 56.6161 27.4813 175.9515 31 E 4.4770 8.0023 116.7416 54.9012 31.3619 175.1286 32 P 4.7797 0.0000 0.0000 62.9833 32.9243 174.7944 33 F 5.4432 7.5613 114.3507 55.7501 41.5923 173.6885 34 Q 4.0937 9.2088 121.0558 54.7440 32.3008 173.6629 35 V 4.2367 8.2838 126.9173 62.4601 33.4860 174.7045 36 V 4.7300 8.8233 127.2701 61.2182 34.2958 173.4946 37 D 4.8924 9.4697 129.4501 53.0576 42.5838 176.7106 38 V 5.1307 8.5437 118.3299 60.5273 33.1787 176.1289 39 R 4.4113 8.6166 120.5907 56.4251 30.7347 174.9490 40 G 3.8284 8.5066 109.4365 46.6624 0.0000 175.1109 41 S 4.2849 8.7129 120.1575 59.6953 64.1608 175.3627 42 D 4.9288 7.9002 120.0092 53.2348 39.9798 176.4983 43 Y 4.2605 7.6235 119.6768 58.1651 37.3522 176.1602 *45 G 3.9178 7.8431 108.3113 44.4924 0.0000 170.4583 46 G 4.5098 7.2889 105.0464 43.9190 0.0000 172.8269 47 H 3.9062 8.5902 117.3904 53.2602 32.1726 172.7298 48 I 4.2039 8.0374 120.8093 60.4961 37.4705 175.9432 49 K 4.1684 8.5669 127.2501 58.0415 32.3825 176.8066 50 D 4.7543 9.1155 124.1734 54.3468 38.6026 174.3546 51 G 3.9133 7.7677 106.1253 45.9521 0.0000 173.1139 52 W 5.2889 9.0456 120.0690 55.1134 32.2449 175.0250 53 H 5.3613 8.8958 123.0304 55.0461 30.8899 173.5826 54 Y 4.5055 9.1679 124.1045 54.2796 40.5147 174.8806 55 A 4.5729 8.5431 127.6605 52.2034 19.3991 177.7606 56 Y 4.2566 9.3444 124.7634 60.8730 38.4050 178.7945 57 S 3.9203 8.2434 114.7032 61.2919 62.9028 176.3752 58 R 3.7442 7.8729 121.5148 58.9136 29.8652 177.9476 59 L 4.2438 8.1514 118.2115 57.9412 41.7463 179.4637 60 K 3.9881 7.8180 117.4920 59.0646 32.6701 178.1553 61 Q 4.5159 7.2683 118.6948 55.4903 30.4521 174.6136 62 D 4.7500 7.9363 119.1825 50.7545 41.7126 173.6870 63 P 4.3132 0.0000 0.0000 65.3224 31.4292 177.8385 64 E 4.0675 8.0872 116.0413 59.0875 28.7659 178.7479 65 Y 4.3444 8.3323 120.0949 60.6289 38.8404 177.3560 66 L 3.9203 8.0329 120.8388 58.2583 42.1563 178.9232 67 R 3.7795 8.1243 118.0027 59.1166 29.8630 178.6689 68 E 3.8468 8.1524 119.1050 59.0280 29.6363 178.5220 69 L 3.3030 7.4875 120.3271 57.8442 41.9634 178.8786 70 K 3.9256 8.1072 119.6501 59.7909 32.0546 178.2758 71 H 4.2323 8.3805 116.8079 59.1622 28.7156 177.9693 72 R 4.0551 8.2324 119.8803 59.1974 29.7656 179.1892 73 L 4.1895 8.2938 118.8149 57.9746 41.6809 179.5824 74 L 4.0263 8.2708 119.1288 57.8432 41.2960 179.4673 75 E 3.9933 8.3701 118.0736 59.1880 29.7577 179.0441 76 K 4.2917 8.1665 119.6255 59.5973 32.4124 178.5355 77 Q 3.9532 8.3891 119.8231 59.3195 28.7085 178.3325 78 A 4.0909 7.8824 120.4602 54.6527 18.4662 178.4761 79 D 4.7009 7.8619 115.5466 54.3826 41.4351 175.8357 80 G 4.1980 7.5358 107.2020 43.3576 0.0000 172.1753 81 R 4.3131 8.3397 117.9918 55.7622 31.6321 178.8945 82 G 3.7482 8.4772 110.0008 45.2716 0.0000 172.3910 83 A 4.5772 8.2277 122.0040 51.1688 20.2068 177.5823 84 L 4.2199 8.7284 123.5673 54.5392 43.7346 175.6292 85 N 5.4363 9.1264 124.8604 52.5407 39.5957 174.1196 86 V 4.4340 8.9515 125.6963 61.7950 33.3905 174.7514 87 I 5.1325 8.6864 129.5389 59.7466 39.3542 174.7216 88 F 5.1523 9.5458 127.5390 57.2270 40.6046 174.9359 89 H 4.9712 9.0009 116.8839 55.4541 31.8881 171.4518 90 C 4.8674 9.0640 110.8991 59.5512 30.7557 175.3489 *92 L 4.4063 8.0287 123.3717 52.4809 43.8153 177.0004 93 S 3.8824 8.1302 112.9887 59.8882 60.5760 173.0697 94 Q 4.4827 8.3586 118.4987 57.0704 30.1126 176.3181 95 Q 4.4909 7.4140 113.0186 57.3965 31.1591 178.0225 96 R 3.5476 7.7194 117.9293 59.1549 30.4800 179.0262 97 G 3.7971 8.1442 104.9555 47.7611 0.0000 173.6073 98 P 4.2255 0.0000 0.0000 65.0001 31.4809 178.5847 99 S 4.0781 7.7760 112.8711 61.4521 62.8851 176.3323 100 A 4.2512 7.9897 123.6041 54.7896 17.9682 180.0897 101 A 2.7669 7.0968 116.2674 52.2685 17.8409 179.0621 *103 L 4.1363 7.8711 124.2611 56.5581 44.2286 178.7743 104 L 3.8906 8.0049 119.8521 58.0014 41.9845 178.3499 105 L 3.9256 8.0066 120.5618 58.6379 41.7260 179.3779 106 R 4.0137 7.3308 116.1833 58.6718 30.0416 178.2325 107 S 4.5000 7.8443 111.6280 57.6940 63.7344 173.6663 108 L 4.7005 7.0946 123.5921 53.3574 42.9039 176.8920 109 D 4.6692 9.2043 124.2353 53.8924 42.9407 177.8429 110 T 3.8151 8.3123 115.9409 67.0396 68.2094 176.7275 111 A 4.0104 7.9356 120.6950 55.3252 18.6737 179.1095 112 E 4.0692 8.0551 116.5183 59.4479 29.6805 179.1312 113 L 4.0106 8.1992 120.8532 57.9688 41.9692 178.8471 114 S 4.2564 7.9744 112.7270 60.3830 63.1470 175.5997 115 R 4.3378 7.8973 121.1869 56.2191 30.1462 175.0642 116 C 5.4782 7.4472 115.5501 57.8099 32.3214 173.6154 117 R 4.5168 8.8848 118.9527 54.5240 33.3163 174.5486 118 L 5.1106 8.1847 123.8390 52.9997 44.0061 175.6418 119 W 5.5577 9.7530 122.9439 54.9167 33.7329 174.2302 120 V 5.0710 8.8410 122.2592 61.0123 33.8466 174.4154 121 L 4.7064 9.1119 130.8369 54.5401 42.9054 176.1819 122 R 4.0674 9.0657 128.7052 57.7524 30.3996 176.7721 123 G 3.8535 8.8348 114.0323 44.0530 0.0000 174.5066 124 G 4.1962 7.9558 108.7830 45.3186 0.0000 173.7935 125 F 4.1926 8.8605 119.2678 60.8960 39.2172 178.1905 126 S 4.2295 8.3734 112.8738 61.6151 61.0022 176.0346 127 R 3.8761 7.7960 121.3510 58.7206 29.7246 178.1632 128 W 3.8751 7.8380 128.1940 60.4251 30.6985 178.0478 129 Q 3.3478 7.3729 117.8010 58.7968 27.5268 178.4036 130 S 3.8464 6.9556 114.3083 60.3723 62.8150 175.9244 131 V 3.8701 6.3273 120.1814 61.2814 32.8648 175.7320 132 Y 4.5018 7.0043 114.5151 56.8083 39.5989 177.3250 133 G 2.6906 7.4071 109.6722 48.4395 0.0000 174.9268 134 D 4.3732 7.5458 117.2831 55.5053 41.2408 176.0163 135 D 4.6229 7.6920 119.7673 52.4075 40.0390 176.4539 136 E 4.8214 8.8497 124.7114 57.8449 29.8444 178.5800 137 S 4.3593 8.3990 114.0774 60.3114 63.5237 175.0095 138 V 4.5944 7.8486 111.8620 60.8995 34.7186 175.1169 139 T 5.2533 8.5815 117.7970 61.6575 71.8437 172.6879 140 A 4.7016 9.2398 129.0361 50.7752 21.4061 177.3204 141 G 4.0636 8.9237 109.0062 46.3413 0.0000 173.0670 142 Y 4.6755 8.2728 120.4817 57.6477 39.3060 176.0157 143 L 4.5375 8.3203 128.0098 51.6301 42.0023 175.0341 144 P 3.8124 0.0000 0.0000 65.6702 30.7884 178.1208 145 D 4.4061 8.0188 117.9925 56.8847 40.5551 177.9534 146 L 4.0372 7.8724 118.0967 55.9780 41.6190 178.0534 147 W 4.6369 7.7684 117.4863 56.0787 29.8796 175.7776 148 R 4.1216 7.6898 124.4340 56.6458 29.4928 175.8855 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 5 S 8.32 4.39 0.00 3.97 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 6 I 7.84 4.38 1.84 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 1.45 0.58 0.90 0.00 0.00 7 T 7.98 4.39 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 1.16 0.00 0.00 8 N 8.46 4.75 0.00 2.73 2.85 0.00 0.00 5.75 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 9 V 7.30 4.50 1.93 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 0.74 0.00 0.00 0.83 0.00 0.00 10 K 8.23 4.57 0.00 1.13 1.65 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.44 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.18 1.06 7.81 11 Y 8.44 5.24 0.00 3.01 2.90 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 0.00 12 L 9.26 4.65 0.00 1.37 1.33 -0.27 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 13 D 9.22 4.74 0.00 2.71 2.39 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 14 P 0.00 4.47 0.00 2.18 2.38 0.00 3.61 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.27 0.00 15 T 7.95 4.12 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 1.17 0.00 0.00 16 E 7.95 3.59 0.00 1.40 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 2.13 2.09 0.00 17 L 7.19 3.01 0.00 1.19 1.83 0.54 0.54 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 18 H 8.22 4.09 0.00 2.56 3.14 0.00 5.82 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.72 4.06 0.00 1.90 2.05 0.00 3.21 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 20 W 7.80 5.00 0.00 3.01 2.32 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 0.00 0.00 0.00 0.00 *22 Q 8.03 4.22 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.94 7.03 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 23 E 8.39 4.11 0.00 1.92 1.94 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 2.31 2.48 0.00 24 G 9.76 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 25 H 7.33 4.75 0.00 3.29 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.94 2.49 3.36 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 -0.36 0.00 0.00 27 T 8.29 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 1.26 0.00 0.00 28 T 8.03 4.04 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 1.23 0.00 0.00 29 L 7.69 4.41 0.00 1.57 1.65 0.93 0.89 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 30 R 7.60 4.43 0.00 1.83 1.74 0.00 3.01 0.00 0.00 4.01 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 31 E 8.00 4.48 0.00 1.74 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 2.42 2.34 0.00 32 P 0.00 4.78 0.00 1.99 2.07 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 33 F 7.56 5.44 0.00 3.24 2.97 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 34 Q 9.21 4.09 0.00 1.63 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.03 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 35 V 8.28 4.24 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 0.97 0.00 0.00 0.89 0.00 0.00 36 V 8.82 4.73 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 1.02 0.00 0.00 0.52 0.00 0.00 37 D 9.47 4.89 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.54 5.13 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.12 0.00 0.00 39 R 8.62 4.41 0.00 2.21 2.19 0.00 3.50 0.00 0.00 3.46 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.84 0.00 40 G 8.51 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.71 4.28 0.00 4.02 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 42 D 7.90 4.93 0.00 2.79 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 43 Y 7.62 4.26 0.00 2.91 2.97 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 *45 G 7.84 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 0.00 0.00 0.00 46 G 7.29 4.51 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 0.00 0.00 0.00 47 H 8.59 3.91 0.00 3.11 2.70 0.00 5.27 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.04 4.20 1.68 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.89 0.49 0.00 0.00 49 K 8.57 4.17 0.00 1.76 1.79 0.00 2.09 0.00 0.00 1.75 0.00 0.00 3.25 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.49 7.81 50 D 9.12 4.75 0.00 2.93 2.87 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 0.00 0.00 0.00 51 G 7.77 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 0.00 0.00 0.00 52 W 9.05 5.29 0.00 3.40 3.21 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 53 H 8.90 5.36 0.00 2.96 2.98 0.00 5.69 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 9.17 4.51 0.00 2.96 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 55 A 8.54 4.57 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 0.00 0.00 0.00 0.00 0.00 56 Y 9.34 4.26 0.00 3.13 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 57 S 8.24 3.92 0.00 4.07 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.87 3.74 0.00 1.78 2.12 0.00 2.74 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.48 0.00 59 L 8.15 4.24 0.00 1.84 1.81 1.19 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.82 3.99 0.00 1.63 1.07 0.00 1.33 0.00 0.00 1.17 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.23 7.81 61 Q 7.27 4.52 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 62 D 7.94 4.75 0.00 2.62 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 63 P 0.00 4.31 0.00 2.21 2.10 0.00 3.65 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 2.12 2.19 0.00 64 E 8.09 4.07 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 65 Y 8.33 4.34 0.00 3.11 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 66 L 8.03 3.92 0.00 1.98 1.83 0.94 0.99 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 67 R 8.12 3.78 0.00 2.01 1.79 0.00 3.18 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 1.58 1.61 0.00 68 E 8.15 3.85 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 69 L 7.49 3.30 0.00 0.55 1.43 0.62 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.11 3.93 0.00 1.83 1.88 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.51 7.81 71 H 8.38 4.23 0.00 3.33 3.31 0.00 5.69 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 72 R 8.23 4.06 0.00 1.90 1.51 0.00 2.87 0.00 0.00 2.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.63 0.00 73 L 8.29 4.19 0.00 1.92 1.77 0.94 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.27 4.03 0.00 1.72 1.74 0.96 1.26 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 75 E 8.37 3.99 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 76 K 8.17 4.29 0.00 2.08 2.05 0.00 1.70 0.00 0.00 1.44 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.50 7.81 77 Q 8.39 3.95 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.70 0.00 78 A 7.88 4.09 1.37 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 0.00 0.00 79 D 7.86 4.70 0.00 2.87 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 80 G 7.54 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 0.00 0.00 0.00 0.00 81 R 8.34 4.31 0.00 1.77 1.84 0.00 3.45 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 82 G 8.48 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 83 A 8.23 4.58 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.73 4.22 0.00 1.77 1.56 0.83 0.95 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 85 N 9.13 5.44 0.00 2.95 3.25 0.00 0.00 6.18 7.28 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 86 V 8.95 4.43 2.20 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 0.42 0.00 0.00 1.00 0.00 0.00 87 I 8.69 5.13 1.89 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.75 0.95 0.00 0.00 88 F 9.55 5.15 0.00 3.18 3.04 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 89 H 9.00 4.97 0.00 3.38 3.48 0.00 5.40 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 C 9.06 4.87 0.00 3.07 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 *92 L 8.03 4.41 0.00 1.75 1.87 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.13 3.88 0.00 4.12 4.07 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 94 Q 8.36 4.48 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.38 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.56 0.00 95 Q 7.41 4.49 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 96 R 7.72 3.55 0.00 1.89 1.98 0.00 3.30 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.73 0.00 97 G 8.14 3.80 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 0.00 98 P 0.00 4.23 0.00 1.99 2.12 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 99 S 7.78 4.08 0.00 3.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 4.25 1.35 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 0.00 101 A 7.10 2.77 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 *103 L 7.87 4.14 0.00 1.99 1.95 0.96 0.57 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 0.00 104 L 8.00 3.89 0.00 1.92 1.64 0.98 0.66 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 0.00 105 L 8.01 3.93 0.00 1.80 1.66 0.89 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 106 R 7.33 4.01 0.00 1.67 1.98 0.00 3.20 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 107 S 7.84 4.50 0.00 4.04 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 0.00 108 L 7.09 4.70 0.00 1.77 1.64 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 109 D 9.20 4.67 0.00 2.74 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 0.00 110 T 8.31 3.82 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 1.20 0.00 0.00 111 A 7.94 4.01 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 0.00 0.00 0.00 0.00 0.00 112 E 8.06 4.07 0.00 2.16 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 2.41 2.37 0.00 113 L 8.20 4.01 0.00 1.81 1.73 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.97 4.26 0.00 4.08 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 0.00 115 R 7.90 4.34 0.00 2.10 2.00 0.00 3.06 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 116 C 7.45 5.48 0.00 2.83 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.88 4.52 0.00 2.08 1.70 0.00 3.55 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 118 L 8.18 5.11 0.00 1.67 1.64 0.92 1.03 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 0.00 119 W 9.75 5.56 0.00 3.36 3.12 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 0.00 120 V 8.84 5.07 2.30 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 1.27 0.00 0.00 1.02 0.00 0.00 121 L 9.11 4.71 0.00 1.88 1.67 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 122 R 9.07 4.07 0.00 1.71 1.79 0.00 3.21 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.25 0.00 123 G 8.83 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 0.00 0.00 0.00 124 G 7.96 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 0.00 0.00 0.00 0.00 125 F 8.86 4.19 0.00 3.37 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.37 4.23 0.00 4.20 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 0.00 127 R 7.80 3.88 0.00 1.81 2.00 0.00 3.08 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 128 W 7.84 3.88 0.00 3.40 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 0.00 129 Q 7.37 3.35 0.00 1.33 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.54 0.00 0.00 0.00 0.00 0.00 1.16 1.85 0.00 130 S 6.96 3.85 0.00 3.88 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 0.00 131 V 6.33 3.87 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 -0.61 0.00 0.00 0.27 0.00 0.00 132 Y 7.00 4.50 0.00 1.60 2.21 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 0.00 133 G 7.41 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 D 7.55 4.37 0.00 2.61 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 0.00 135 D 7.69 4.62 0.00 2.75 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.85 4.82 0.00 2.17 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 2.31 2.24 0.00 137 S 8.40 4.36 0.00 4.02 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 7.85 4.59 2.45 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 0.76 0.00 0.00 1.05 0.00 0.00 139 T 8.58 5.25 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 140 A 9.24 4.70 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.92 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 0.00 142 Y 8.27 4.68 0.00 2.94 3.02 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 0.00 143 L 8.32 4.54 0.00 1.71 1.52 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 3.81 0.00 2.25 2.29 0.00 3.59 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 145 D 8.02 4.41 0.00 2.68 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 0.00 146 L 7.87 4.04 0.00 1.66 1.18 0.85 0.51 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 0.00 147 W 7.77 4.64 0.00 3.39 3.33 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 0.00 148 R 7.69 4.12 0.00 1.95 1.83 0.00 3.30 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.