NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4219 8.3193 115.4119 58.3832 64.1990 173.1112 10 D 4.5060 8.4747 119.0693 53.2403 39.5747 174.8065 11 M 4.3504 8.1952 121.1877 54.0324 34.0533 175.6233 12 P 4.6029 0.0000 0.0000 63.1824 32.8002 175.6368 13 V 5.0585 8.1963 121.0407 61.1731 35.1280 172.4598 14 A 4.7458 8.5990 121.0463 51.6385 23.2246 175.3134 15 H 4.7155 9.3461 121.7177 54.7107 31.5478 172.2892 16 V 4.5986 8.5572 117.7688 60.2485 33.5618 175.3100 17 V 5.3309 8.7392 115.6859 59.4328 35.8588 174.5116 18 A 4.4062 8.4930 124.0301 51.1141 19.2807 176.8093 19 N 4.0824 8.5538 121.6306 53.2770 39.6637 173.6879 20 P 4.2718 0.0000 0.0000 63.5039 31.4083 176.9985 21 Q 4.4160 8.8215 117.1540 55.7345 30.7004 176.0334 22 A 4.3319 7.3477 121.3532 50.6226 17.3131 176.2065 23 E 4.3447 8.2706 118.8295 57.4057 30.8678 178.1920 24 G 3.9443 10.6053 109.3614 45.4634 0.0000 172.5186 25 Q 4.3984 7.4335 115.2256 55.1319 31.1365 173.3807 26 L 4.1820 8.1827 120.4346 53.3442 42.6359 174.9641 27 Q 4.4027 7.8609 127.9218 53.8262 31.4750 174.1877 28 W 5.3039 8.8409 127.4983 56.5365 30.0277 175.9810 29 L 5.1135 9.4726 124.4783 53.0476 44.6680 176.9668 30 N 4.8850 8.8726 116.7090 53.0121 39.7043 175.1222 31 R 4.3525 7.8435 119.2901 55.7204 29.5959 175.2791 32 R 4.6989 7.3047 116.3109 53.8257 34.8069 175.1761 33 A 4.2222 8.3803 122.7152 53.5944 18.7849 177.5842 34 N 4.3218 9.0333 118.3629 53.5749 35.8865 173.6915 35 A 5.1010 7.5361 118.9221 50.5369 21.9357 176.8134 36 L 4.6241 8.3901 117.7374 53.6475 46.7241 175.6329 37 L 4.8627 8.1172 118.5707 54.6632 43.8090 172.6067 38 A 4.6914 8.5082 126.6006 49.2549 23.8240 174.7626 39 N 4.3924 10.0192 112.5854 55.0247 36.1969 175.6743 40 G 4.0809 8.5108 106.5489 45.5121 0.0000 175.2264 41 V 3.9323 7.4200 119.9481 63.0189 31.9116 175.3643 42 E 4.7037 8.7608 126.2028 54.5783 33.4282 174.8199 43 L 5.0302 8.4872 123.9131 53.1932 42.2882 174.5245 44 R 4.5883 8.6914 122.6560 55.3059 32.4580 176.4386 45 D 4.4189 9.6805 120.7840 55.5457 38.5386 174.1593 46 N 4.5681 8.5457 113.6079 53.9301 38.1490 172.8362 47 Q 5.0503 8.5454 115.7201 54.4928 32.7435 174.3587 48 L 4.8059 8.8588 122.0500 53.9498 43.4599 175.8383 49 V 4.6505 8.4897 124.0090 61.1175 34.0939 174.4859 50 V 3.8009 8.1546 128.0980 61.5737 32.1332 174.1970 51 P 4.3349 0.0000 0.0000 63.5654 31.8833 177.1795 52 S 4.7858 7.6974 113.4217 56.1869 65.6848 173.4472 53 E 4.4677 8.5864 121.1654 55.1841 30.2641 176.2849 54 G 3.9183 7.6673 111.0339 45.0393 0.0000 170.8712 55 L 4.9448 7.7170 119.9336 54.0248 42.8062 175.6752 56 Y 5.0212 9.3408 122.9611 56.1632 40.6452 174.9202 57 L 4.8881 9.1227 126.7303 54.6465 43.6507 175.2711 58 I 5.2791 9.2638 127.8896 59.7216 40.1944 174.3215 59 Y 5.4375 8.4653 123.6524 56.2068 41.9577 173.7652 60 S 5.0245 9.0242 114.3130 57.3758 66.7310 172.6802 61 Q 4.9463 8.3952 125.6014 54.4278 32.6245 174.2149 62 V 4.7197 8.4606 117.0910 59.5241 36.3170 174.4704 63 L 5.0560 7.7264 122.8620 53.9908 45.0290 175.0975 64 F 5.1224 9.7900 126.1715 56.8719 41.4211 175.1066 65 S 4.0608 8.7065 114.6890 56.9810 65.8510 173.7543 66 G 3.3777 5.5288 107.9706 44.3531 0.0000 173.3705 67 Q 3.9248 8.6736 122.1033 57.9578 29.6008 175.5165 68 G 4.1353 7.6548 103.3893 44.6326 0.0000 172.0419 69 C 4.8403 8.6025 116.9909 54.0649 36.0336 172.0419 70 P 4.3894 0.0000 0.0000 62.2787 31.4608 177.7105 71 S 4.2541 8.5939 114.3216 60.6058 62.6731 173.9589 72 T 4.4185 7.3625 114.0077 59.5469 70.0919 172.7402 73 H 4.4847 7.8487 118.9589 54.2679 28.0848 175.2732 74 V 3.8439 8.0829 126.0952 62.0774 32.0967 174.4088 75 L 4.7427 8.2995 128.0387 53.0543 43.9164 176.1952 76 L 4.6523 8.6560 122.5962 53.0246 45.0745 175.5080 77 T 5.0857 9.2694 114.8438 60.0380 71.9175 172.6609 78 H 5.5690 9.3335 123.8728 54.8953 33.4050 172.3178 79 T 4.8618 9.0731 122.1089 62.2688 73.0714 172.9252 80 I 4.4574 8.5420 128.8198 60.4341 38.3345 175.4554 81 S 5.1245 8.9740 122.3694 56.4283 66.6166 172.8652 82 R 4.8859 8.9319 120.3619 54.7326 33.1001 174.3778 83 I 5.3384 8.8973 127.1344 58.0525 37.2255 175.0951 84 A 4.3634 8.1767 128.7389 51.8859 19.2818 179.2617 85 V 3.7899 8.8377 120.6185 65.4127 31.7305 177.7202 86 S 4.3685 8.0132 112.4510 59.6509 63.4654 173.7025 87 Y 4.4223 7.3449 120.5856 56.7659 39.6058 174.4674 88 Q 4.5068 7.9937 129.5374 53.4972 27.2496 175.1317 89 T 4.6301 7.1982 109.1092 59.6007 72.5091 172.4609 90 P 4.6302 0.0000 0.0000 63.2230 32.3444 176.1676 91 V 4.4009 8.7452 122.8914 61.1254 35.1174 173.6845 92 N 4.6716 8.9652 125.5819 53.9898 38.2281 174.5867 93 L 4.4256 8.4888 124.9413 56.2766 43.0099 177.7388 94 L 4.9722 7.5559 117.3887 53.0314 45.6162 175.7159 95 S 5.1551 8.5586 115.9972 57.4070 65.6154 172.7560 96 A 4.6656 8.6263 124.8066 51.2609 22.7877 175.3183 97 I 5.0818 8.2782 120.0542 59.8620 41.0665 174.8276 98 R 4.7093 8.6114 122.8468 55.3643 34.0602 174.3458 99 S 4.6187 8.0888 118.4041 55.8510 64.4719 171.7012 100 P 4.0922 0.0000 0.0000 63.6566 32.2679 177.0461 101 C 4.6253 7.7109 116.8699 55.4364 41.0387 173.8449 102 Q 4.1601 8.3704 122.3905 55.9546 30.3725 176.4215 *111 A 4.1890 7.5933 120.0122 52.2054 18.8710 175.0006 112 N 4.8088 7.9413 117.7748 51.4546 40.2997 173.5909 113 P 4.6459 0.0000 0.0000 62.1536 32.3243 175.6983 114 W 5.1129 8.2659 121.0514 54.9319 31.3920 174.1290 115 Y 5.2078 8.9085 118.0850 56.4931 41.1703 174.7521 116 E 4.7784 10.0932 123.1772 54.3458 32.8680 173.3974 117 P 5.3510 0.0000 0.0000 62.0049 33.4674 176.0787 118 I 4.7304 8.7038 122.3085 60.3308 41.6705 173.2835 119 Y 5.2126 8.9432 128.1003 55.7560 41.1585 174.5570 120 L 5.0084 8.4569 125.8333 52.8034 45.8746 175.8260 121 G 5.0385 8.6815 106.0108 46.2373 0.0000 172.5241 122 G 4.2802 8.3070 110.3552 45.7251 0.0000 171.7944 123 V 4.8521 8.1687 120.2275 61.8713 32.6869 175.1665 124 F 4.8549 9.7041 126.0664 55.5640 43.1720 173.7408 125 Q 4.7067 9.0209 125.1573 56.1949 29.5026 174.8795 126 L 5.0553 9.6604 126.2180 53.0326 46.1307 175.2746 127 E 5.1343 9.5314 119.4881 53.6104 33.5422 173.9426 128 P 4.7056 0.0000 0.0000 64.3214 31.2927 176.7352 129 G 4.0541 8.9021 112.8835 45.2046 0.0000 173.6069 130 D 4.5212 8.0474 120.6244 54.3824 42.1288 175.4420 131 R 5.0087 8.4478 122.3402 54.4924 32.6722 174.9255 132 L 5.2471 8.9260 124.7830 52.9362 44.2494 175.5790 133 S 5.0311 8.8858 118.1249 56.3978 66.0416 172.8555 134 A 4.7032 8.4606 125.7982 50.4476 19.6864 175.2978 135 E 4.9808 9.1420 121.1320 55.2840 33.6201 175.4094 136 I 5.7289 8.3098 113.1711 58.3095 40.4379 175.0598 137 N 4.4883 8.5407 121.5109 55.1811 38.2556 175.4663 138 R 4.6314 8.0079 119.2827 53.1224 30.5926 174.1174 139 P 4.3586 0.0000 0.0000 65.1574 31.7963 178.4776 140 D 4.3855 8.0637 116.0233 55.3051 39.5687 176.2159 141 Y 4.5839 7.7947 116.7600 57.5812 38.5593 175.4855 142 L 4.0764 7.3451 120.3765 54.9713 42.1422 176.4519 143 D 4.0629 7.5009 118.1445 53.5601 42.8542 174.5512 144 F 4.9304 8.1179 123.9783 57.2451 38.8876 177.0596 145 A 3.6231 7.0853 120.7301 55.0860 18.7372 178.6484 146 E 4.6038 7.8576 115.1422 54.1943 31.8406 176.3995 147 S 4.4381 8.3319 114.9585 59.2152 64.0123 174.6586 148 G 4.1566 9.0952 109.2501 46.0247 0.0000 174.0792 149 Q 4.4030 8.1100 118.3665 56.4372 30.1723 175.7552 150 V 4.6600 7.8163 117.4274 61.3226 34.6538 174.0076 151 Y 5.7654 8.2259 124.7950 56.3610 42.4275 173.5991 152 F 5.0988 8.7524 120.3443 57.2307 43.1795 172.9733 153 G 4.2211 8.2714 112.5314 45.4583 0.0000 171.6317 154 I 5.8289 7.7352 114.2381 57.9260 41.6434 173.8378 155 I 5.2314 8.2984 122.4780 59.5845 41.7029 173.2687 156 A 4.0751 8.5350 131.4234 50.9617 19.3317 177.5042 157 L 4.1504 8.2075 122.0947 54.8265 41.8742 176.5319 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 9 S 8.32 4.42 0.00 3.98 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 10 D 8.47 4.51 0.00 2.88 2.80 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 11 M 8.20 4.35 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 12 P 0.00 4.60 0.00 2.31 2.10 0.00 3.56 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 13 V 8.20 5.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.02 0.00 0.00 14 A 8.60 4.75 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 H 9.35 4.72 0.00 3.21 3.14 0.00 5.77 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 16 V 8.56 4.60 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 0.54 0.00 0.00 0.44 0.00 0.00 17 V 8.74 5.33 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 0.95 0.00 0.00 1.04 0.00 0.00 18 A 8.49 4.41 0.97 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 19 N 8.55 4.08 0.00 2.65 2.48 0.00 0.00 6.88 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.27 0.00 2.06 2.10 0.00 3.57 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 21 Q 8.82 4.42 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.15 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 22 A 7.35 4.33 1.13 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 0.00 0.00 23 E 8.27 4.34 0.00 2.13 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 2.27 2.30 0.00 24 G 10.61 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 25 Q 7.43 4.40 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 26 L 8.18 4.18 0.00 1.38 1.38 -0.08 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.86 4.40 0.00 2.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 28 W 8.84 5.30 0.00 3.37 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 29 L 9.47 5.11 0.00 1.59 1.55 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.87 4.89 0.00 2.78 2.90 0.00 0.00 6.12 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 31 R 7.84 4.35 0.00 1.84 1.97 0.00 3.32 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 32 R 7.30 4.70 0.00 1.81 1.79 0.00 3.31 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 33 A 8.38 4.22 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 34 N 9.03 4.32 0.00 2.92 2.97 0.00 0.00 6.88 7.35 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 35 A 7.54 5.10 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 36 L 8.39 4.62 0.00 1.67 1.51 0.93 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.12 4.86 0.00 1.54 1.51 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.51 4.69 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 10.02 4.39 0.00 2.93 2.90 0.00 0.00 7.10 7.65 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 40 G 8.51 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 41 V 7.42 3.93 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 0.68 0.00 0.00 1.07 0.00 0.00 42 E 8.76 4.70 0.00 1.89 1.77 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 2.19 2.38 0.00 43 L 8.49 5.03 0.00 1.59 1.57 0.99 1.05 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 44 R 8.69 4.59 0.00 1.93 1.80 0.00 3.42 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 45 D 9.68 4.42 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 46 N 8.55 4.57 0.00 2.90 3.04 0.00 0.00 7.06 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 47 Q 8.55 5.05 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 48 L 8.86 4.81 0.00 1.34 1.31 -0.33 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.49 4.65 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 0.90 0.00 0.00 0.91 0.00 0.00 50 V 8.15 3.80 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 0.66 0.00 0.00 0.59 0.00 0.00 51 P 0.00 4.33 0.00 2.14 2.02 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 52 S 7.70 4.79 0.00 3.92 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 0.00 53 E 8.59 4.47 0.00 2.13 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 0.00 2.33 2.54 0.00 54 G 7.67 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 55 L 7.72 4.94 0.00 1.57 1.63 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 9.34 5.02 0.00 2.98 2.91 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 57 L 9.12 4.89 0.00 1.85 1.69 1.13 0.92 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 58 I 9.26 5.28 2.00 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 1.32 1.06 0.91 0.00 0.00 59 Y 8.47 5.44 0.00 3.15 3.18 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 0.00 60 S 9.02 5.02 0.00 3.73 3.57 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 61 Q 8.40 4.95 0.00 1.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.42 0.00 0.00 0.00 0.00 0.00 2.11 2.49 0.00 62 V 8.46 4.72 1.54 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 0.40 0.00 0.00 0.72 0.00 0.00 63 L 7.73 5.06 0.00 1.73 1.43 1.16 0.99 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 64 F 9.79 5.12 0.00 3.26 3.30 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 65 S 8.71 4.06 0.00 2.72 3.35 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 66 G 5.53 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.67 3.92 0.00 1.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 68 G 7.65 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 69 C 8.60 4.84 0.00 2.96 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.39 0.00 2.21 2.09 0.00 3.66 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 71 S 8.59 4.25 0.00 3.84 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 72 T 7.36 4.42 4.15 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 1.18 0.00 0.00 73 H 7.85 4.48 0.00 3.21 3.28 0.00 5.18 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.08 3.84 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.83 0.00 0.00 75 L 8.30 4.74 0.00 1.48 1.45 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.66 4.65 0.00 1.09 0.27 0.34 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.27 5.09 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 1.18 0.00 0.00 78 H 9.33 5.57 0.00 3.39 3.25 0.00 5.75 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 79 T 9.07 4.86 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 1.22 0.00 0.00 80 I 8.54 4.46 1.73 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 0.83 0.33 0.78 0.00 0.00 81 S 8.97 5.12 0.00 3.82 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 82 R 8.93 4.89 0.00 1.69 1.69 0.00 2.98 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 83 I 8.90 5.34 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 1.13 1.36 0.95 0.00 0.00 84 A 8.18 4.36 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 85 V 8.84 3.79 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 0.82 0.00 0.00 1.03 0.00 0.00 86 S 8.01 4.37 0.00 4.09 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 87 Y 7.34 4.42 0.00 2.92 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 88 Q 7.99 4.51 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.49 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 89 T 7.20 4.63 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 1.18 0.00 0.00 90 P 0.00 4.63 0.00 1.98 2.04 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 91 V 8.75 4.40 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 0.93 0.00 0.00 1.04 0.00 0.00 92 N 8.97 4.67 0.00 2.63 2.77 0.00 0.00 7.11 7.85 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 93 L 8.49 4.43 0.00 1.18 0.64 0.27 0.95 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 94 L 7.56 4.97 0.00 1.50 1.54 1.07 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.56 5.16 0.00 3.82 3.68 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 96 A 8.63 4.67 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 97 I 8.28 5.08 1.84 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 1.22 0.71 0.86 0.00 0.00 98 R 8.61 4.71 0.00 1.88 1.60 0.00 3.07 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 99 S 8.09 4.62 0.00 3.67 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 0.00 100 P 0.00 4.09 0.00 0.49 0.98 0.00 3.13 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.19 0.00 101 C 7.71 4.63 0.00 2.71 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 0.00 102 Q 8.37 4.16 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 *111 A 7.59 4.19 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 0.00 112 N 7.94 4.81 0.00 2.69 2.81 0.00 0.00 7.27 8.02 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 0.00 113 P 0.00 4.65 0.00 2.10 1.94 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 114 W 8.27 5.11 0.00 3.36 3.14 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 0.00 115 Y 8.91 5.21 0.00 2.90 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 0.00 116 E 10.09 4.78 0.00 2.19 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 2.45 2.22 0.00 117 P 0.00 5.35 0.00 2.06 2.08 0.00 3.79 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 118 I 8.70 4.73 2.07 0.00 0.00 1.00 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 0.96 1.07 0.00 0.00 119 Y 8.94 5.21 0.00 3.06 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 0.00 120 L 8.46 5.01 0.00 1.46 1.51 0.74 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.68 5.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.31 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 0.00 0.00 0.00 0.00 123 V 8.17 4.85 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 0.83 0.00 0.00 0.95 0.00 0.00 124 F 9.70 4.85 0.00 3.03 2.94 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 0.00 125 Q 9.02 4.71 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 126 L 9.66 5.06 0.00 1.65 1.46 0.55 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 127 E 9.53 5.13 0.00 1.93 1.83 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 2.25 2.42 0.00 128 P 0.00 4.71 0.00 1.95 2.22 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 129 G 8.90 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 0.00 0.00 0.00 130 D 8.05 4.52 0.00 2.63 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 0.00 131 R 8.45 5.01 0.00 1.69 1.82 0.00 3.09 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 132 L 8.93 5.25 0.00 1.56 1.71 0.70 0.37 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 0.00 133 S 8.89 5.03 0.00 3.91 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.46 4.70 0.08 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 0.00 135 E 9.14 4.98 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 136 I 8.31 5.73 2.17 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 1.05 1.76 1.04 0.00 0.00 137 N 8.54 4.49 0.00 2.74 3.01 0.00 0.00 6.74 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 0.00 138 R 8.01 4.63 0.00 2.04 2.38 0.00 3.37 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 139 P 0.00 4.36 0.00 2.33 2.10 0.00 3.63 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 140 D 8.06 4.39 0.00 2.51 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 0.00 141 Y 7.79 4.58 0.00 3.43 3.32 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 0.00 142 L 7.35 4.08 0.00 1.45 0.78 0.97 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 143 D 7.50 4.06 0.00 2.44 2.51 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 0.00 144 F 8.12 4.93 0.00 3.08 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 0.00 145 A 7.09 3.62 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 7.86 4.60 0.00 2.21 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 2.28 2.30 0.00 147 S 8.33 4.44 0.00 4.06 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 0.00 148 G 9.10 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 0.00 0.00 0.00 149 Q 8.11 4.40 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 150 V 7.82 4.66 2.25 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 1.09 0.00 0.00 1.04 0.00 0.00 151 Y 8.23 5.77 0.00 2.96 3.16 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 0.00 152 F 8.75 5.10 0.00 1.51 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 0.00 153 G 8.27 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 0.00 0.00 0.00 0.00 154 I 7.74 5.83 1.88 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.35 0.53 0.00 0.00 155 I 8.30 5.23 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.64 1.03 0.00 0.00 156 A 8.54 4.08 0.57 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 0.00 0.00 157 L 8.21 4.15 0.00 1.60 1.54 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.