NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4847 8.3193 115.2872 57.8866 64.5016 173.7349 3 F 4.7916 7.1912 111.4937 55.1599 40.5616 167.6768 4 V 4.7079 8.7570 121.3764 61.2305 34.7055 175.5329 5 V 5.1206 9.0179 126.1976 61.1908 34.6188 174.0824 6 I 4.9716 8.7009 128.1192 59.7556 40.0806 174.6055 7 I 5.1617 8.8157 128.9673 58.0778 38.5960 172.8320 8 P 4.6482 0.0000 0.0000 62.6409 32.2640 175.8214 9 A 4.6434 9.3252 131.7578 50.8999 17.7549 176.0898 10 R 4.0191 8.2401 118.1860 56.7295 29.9319 175.5781 11 Y 3.9767 8.8576 124.6030 59.0016 39.3865 175.3754 12 A 4.2429 7.9299 121.3165 52.2926 19.1342 176.8059 13 S 4.4286 8.3693 112.9571 57.5658 65.3600 174.6801 14 T 4.0694 9.0399 119.1342 65.1360 68.2637 175.5707 15 R 4.0251 7.9302 119.7004 56.9422 30.4591 176.2032 16 L 4.5538 8.2370 117.5802 51.9597 42.7357 173.8393 17 P 4.3907 0.0000 0.0000 62.8086 32.7340 176.4529 18 G 2.7826 8.1290 110.8911 45.5743 0.0000 175.2068 19 K 3.6536 7.0864 119.4376 58.8761 32.6486 177.8431 20 P 4.2670 0.0000 0.0000 65.5078 30.8811 176.7512 21 L 4.4771 7.3057 115.4287 53.9959 41.9452 176.5313 22 V 3.6101 8.0991 121.4957 62.4695 31.7868 174.9152 23 D 4.4510 8.6391 127.3276 54.5115 41.9096 175.9553 24 I 4.3766 8.0629 126.7642 60.0734 37.9388 174.8768 25 N 4.2683 9.4202 124.0236 54.7862 35.6684 175.5771 26 G 4.1564 9.0425 105.7638 45.3577 0.0000 174.9610 27 K 4.7398 7.9874 118.3374 53.7309 37.2055 174.3188 28 P 5.0994 0.0000 0.0000 61.8836 30.5016 178.9299 *30 I 4.0374 8.4419 114.4466 60.7199 39.6409 177.3885 31 V 3.7153 7.7292 119.1737 66.0851 31.2854 177.5590 32 H 4.1243 8.0092 116.2237 58.9244 28.5611 177.9280 33 V 3.6256 7.8186 119.5306 65.9229 31.3781 177.6534 34 L 4.0116 8.4619 120.4371 57.8757 41.7856 178.6935 35 E 4.0937 8.1969 118.7670 58.8996 29.4735 179.1759 36 R 4.0808 8.2120 118.0924 59.3386 29.9556 178.9563 37 A 4.0884 7.9995 119.2654 55.1772 18.4740 179.6187 38 R 4.0131 7.9730 116.8003 59.4985 29.9249 179.1167 39 E 4.0579 8.3822 118.0197 59.0113 29.4796 179.0002 40 S 4.5411 7.9454 114.2310 60.0877 62.9300 175.4788 41 G 3.9617 7.9493 108.5975 44.5746 0.0000 173.3082 42 A 2.5800 7.5147 122.2836 52.1727 18.6270 178.0480 43 E 4.1978 8.4200 118.6636 57.8176 30.9328 176.7860 44 R 4.6000 7.3936 120.4019 55.1580 33.1319 173.4111 45 I 5.0767 8.4911 126.0748 59.7925 40.7415 174.0451 46 I 4.8118 8.9381 128.9939 59.4725 39.7919 174.9479 47 V 4.6285 8.8539 127.5344 61.5580 33.2398 174.3267 48 A 4.9893 8.8694 131.0001 51.2013 19.9830 175.6871 49 T 4.9421 8.3466 115.8324 61.1231 70.9664 173.0660 50 D 4.9532 8.7531 123.7907 53.1057 40.0808 175.8214 51 H 4.8610 7.9768 119.5467 54.7903 32.7059 175.3574 52 E 4.1389 8.6652 123.8860 60.6440 29.7023 177.6900 53 D 4.5504 8.0580 118.1290 56.9802 39.5722 178.6077 54 V 3.6106 7.9782 119.9455 65.2658 31.5781 177.4979 55 A 4.0104 8.0456 120.3909 55.4502 18.2249 179.8969 56 R 3.9037 8.2237 116.2340 59.1356 29.9689 179.1988 57 A 3.9895 8.0771 120.6978 55.1410 18.4569 179.8416 58 V 3.5542 7.9969 116.9161 66.3442 31.6263 178.1759 59 E 4.2504 8.6488 119.3937 58.7241 29.0301 179.1067 60 A 4.1259 7.9951 120.0235 54.7643 18.4747 178.5443 61 A 4.3947 7.5774 116.7623 51.9911 18.7126 177.9696 62 G 3.7978 8.4079 106.5078 45.9968 0.0000 173.9747 63 G 4.1549 7.9616 106.5646 44.4774 0.0000 172.9384 64 E 4.8470 8.1258 122.4927 54.7035 31.6113 175.0644 65 V 4.8862 8.2759 124.4643 61.1604 34.3023 174.4994 66 C 4.6994 9.2916 128.0448 59.4560 35.1344 171.0198 *68 T 4.8428 8.3098 111.7939 62.8210 67.6434 175.4213 *73 Q 4.3417 8.6951 125.1347 55.4446 29.9721 172.3990 74 S 4.6198 8.2538 114.5200 59.3076 65.6623 178.1905 75 G 4.3410 8.4851 111.4414 47.0188 0.0000 176.0464 76 T 3.8412 7.8622 114.3897 63.9980 67.4098 176.0074 77 E 4.1084 8.3214 122.6476 59.6261 29.4608 179.6840 78 R 3.9991 7.7790 120.6474 61.1132 29.4561 182.4358 79 L 4.1579 7.8171 119.9705 57.9790 42.0380 178.8980 80 A 3.9006 7.6224 120.8661 55.0639 18.1579 179.2063 81 E 3.8286 8.0701 117.6025 59.4219 29.7393 179.2151 82 V 3.5296 7.5617 118.1712 65.9509 31.5512 178.1506 83 V 3.4715 7.9518 118.2440 65.9787 31.1331 177.9611 84 E 3.8816 8.3314 117.8134 58.9914 29.3954 178.7080 85 K 3.9418 8.0728 119.0412 59.9945 32.3607 178.4115 86 C 3.9548 8.1383 115.0517 60.0098 28.0115 173.6328 87 A 3.6209 7.6442 121.6715 52.6880 16.0219 177.8351 88 F 4.6101 7.7433 117.3852 59.2068 39.8829 175.9730 89 S 4.4750 8.5864 117.7926 57.9113 63.8885 174.7437 90 D 4.5479 8.8572 121.3960 57.9343 40.6730 179.0265 91 D 4.4494 8.0272 117.0149 56.7476 41.3569 176.7850 92 T 3.8504 7.9160 117.1615 64.0606 69.6646 173.4637 93 V 4.4402 8.4597 126.5093 62.2970 32.9026 174.4378 94 I 5.0335 9.1007 129.4814 59.6450 40.1482 174.9905 95 V 4.7887 8.6250 125.3231 61.1661 33.9915 173.8316 96 N 5.1836 9.4945 128.5285 52.8287 40.2120 173.7478 97 V 4.7289 8.4157 126.9565 60.8233 34.0943 174.8444 98 Q 4.4909 8.8137 127.2257 55.9582 29.5687 177.4893 99 G 3.8809 8.6978 111.5769 46.8939 0.0000 173.7510 100 D 4.9464 7.9855 119.1692 53.0077 39.8864 175.7536 101 E 5.1253 7.5126 118.3598 54.5378 29.6193 174.9709 102 P 4.3792 0.0000 0.0000 62.2177 31.4169 177.9491 *104 I 3.8144 7.6520 118.3729 60.7978 38.6545 172.8764 105 P 4.2868 0.0000 0.0000 62.8097 31.5992 177.3337 106 A 4.0545 8.7008 123.5601 55.0912 18.2356 179.4062 107 T 4.1476 7.8536 107.3406 63.6030 69.3304 176.8107 108 I 3.8715 7.5333 116.8793 63.6590 37.7537 178.0691 109 I 3.5589 7.6893 121.1962 64.4310 37.0263 178.1354 110 R 3.6691 7.7507 119.1711 59.1533 29.7720 178.2455 111 Q 3.8521 8.1624 119.7230 59.2135 29.1015 178.4397 112 V 3.4719 8.1704 119.2874 65.9078 31.5019 177.8008 113 A 3.7112 7.6268 120.3849 55.0644 17.9832 179.3800 114 D 4.2331 8.3100 117.7358 57.4827 40.9153 178.5056 115 N 4.3118 8.3092 117.3062 56.3348 38.3881 176.9982 116 L 3.8796 7.6191 119.6271 58.1407 42.2553 178.5151 117 A 4.1404 7.7221 119.0028 55.2979 18.4236 179.2856 118 Q 4.0811 8.5440 115.7032 58.1761 29.2020 177.4521 119 R 4.2259 7.7830 118.3877 55.8799 31.3281 177.8382 120 Q 4.3134 8.5220 124.6673 55.0031 27.7234 175.0229 121 V 4.2774 7.1620 117.6865 59.8671 34.3963 176.7167 122 G 2.8151 8.0810 105.6009 47.5197 0.0000 173.1612 *124 A 4.6021 7.8258 122.1841 52.5018 20.5587 175.7383 125 T 4.8265 8.9764 113.8946 61.1554 71.5897 171.9491 126 L 5.4167 8.2049 119.5840 53.3337 46.2911 175.5968 127 A 5.0766 8.6401 120.4285 51.1601 23.0587 175.8348 128 V 4.7740 8.4711 112.5762 58.4750 35.9447 173.6989 129 P 4.6793 0.0000 0.0000 63.3787 31.8717 175.7677 130 I 4.1482 8.9584 125.5088 61.0420 37.7702 175.1779 131 H 4.7278 8.9623 123.6245 57.3225 30.0527 175.5417 132 N 4.9223 7.6575 116.1792 51.1116 40.6437 175.5465 133 A 3.8521 8.4092 123.5231 55.1623 18.2377 179.4107 134 E 3.8746 8.2056 116.8568 59.8581 29.9217 178.2032 135 E 4.0227 8.1483 118.1816 59.3408 29.5302 178.6331 136 A 3.8327 7.4064 119.7445 54.0936 18.3089 178.5726 137 F 4.8776 7.5760 115.0200 55.4557 39.6222 175.0495 138 N 4.7464 7.6572 119.6773 51.5448 38.8644 174.0880 139 P 5.1868 0.0000 0.0000 64.8358 31.5937 177.4309 140 N 4.3794 8.2488 113.7715 54.4569 38.7245 174.8624 141 A 4.3977 8.0634 122.1007 50.3957 18.9103 176.7326 142 V 4.0590 8.2412 123.3218 63.5786 32.7393 175.2721 143 K 5.1755 9.1314 128.1403 55.4129 34.1134 176.1117 144 V 4.7001 8.4771 121.8117 60.0003 34.8847 175.2458 145 V 4.2980 8.0196 115.2748 59.7716 34.4858 175.2647 146 L 4.9610 8.4913 125.5275 53.4816 43.9050 175.8675 147 D 4.7088 8.6396 120.8185 51.4761 41.5022 177.1710 148 A 3.9264 8.6180 121.3834 55.5840 18.0903 178.3887 149 E 4.1613 8.3337 111.7298 56.6993 30.0116 177.4674 150 G 3.7722 8.5713 108.5600 45.5131 0.0000 173.1822 151 Y 4.6429 8.0170 117.4432 57.0269 38.7001 174.8192 152 A 4.1801 8.9764 125.9762 52.3919 18.5464 177.5888 153 L 4.3752 8.9407 122.2850 57.1017 42.8286 176.6535 154 Y 4.8807 7.2397 115.9067 56.8921 42.0688 172.7133 155 F 5.0280 8.0969 122.5332 55.8410 41.8468 174.5975 156 S 4.8959 8.9919 116.2631 57.2969 66.2765 174.7154 157 R 4.2550 9.9590 122.2224 56.7940 30.4865 176.8510 158 A 4.6411 8.0149 121.5048 51.4585 19.4712 178.1156 159 T 4.3361 8.6091 117.1467 63.1059 67.3613 173.7097 160 I 4.9434 8.0687 119.1089 57.8742 40.4727 174.1753 161 P 4.4775 0.0000 0.0000 62.0958 32.0313 175.6036 162 W 4.3914 8.6945 130.5956 57.0893 31.1956 175.2918 163 D 4.1491 6.8475 125.7939 52.6605 39.7033 176.3614 164 R 4.1876 8.6334 129.8865 60.4870 30.4826 179.1157 165 D 4.4064 7.9966 115.1357 56.2098 40.0300 179.7279 166 R 4.1895 7.9890 118.4545 57.7536 30.2619 176.8168 167 F 4.8802 7.5412 114.7116 58.8300 39.9545 176.8923 168 A 4.1916 7.7401 119.7003 53.4400 17.7138 176.9712 *174 V 4.0055 7.4205 116.4573 61.5534 33.1458 177.2273 175 G 4.1605 8.2641 110.0554 45.7248 0.0000 174.1470 176 D 4.9185 8.7390 123.7985 54.1631 42.3041 175.0649 177 N 5.0201 8.3756 113.9184 52.7808 39.7726 173.3059 178 F 4.7293 8.4522 114.8725 55.2809 41.7055 174.7817 179 L 5.1138 8.4897 122.8329 52.9234 44.7531 175.0511 180 R 5.0331 8.7369 124.5405 54.9070 32.0181 174.6618 181 H 5.0229 9.4235 127.4412 56.2105 30.5123 174.3918 182 L 4.4138 8.3082 125.7942 52.6123 43.3400 177.3371 183 G 3.7130 8.3002 110.3699 45.9932 0.0000 172.9280 184 I 4.5683 7.1811 119.7323 58.8866 40.8593 173.6223 185 Y 4.9470 8.4937 125.2316 55.9847 42.2059 174.5267 186 G 4.3594 8.6834 109.3366 44.8138 0.0000 172.1106 187 Y 5.3520 9.2284 122.4208 55.3934 43.3140 174.7176 188 R 4.9519 8.5957 118.8273 55.0190 31.7661 177.7922 189 A 4.1728 9.1510 124.0037 55.4087 18.3258 180.6903 190 G 3.7452 8.4855 104.6798 48.5935 0.0000 175.8488 191 F 4.0977 8.1354 122.4495 61.0278 39.4189 177.2565 192 I 3.6037 7.7143 119.3498 64.0208 36.8062 178.6439 193 R 3.7708 7.5512 118.2326 58.9386 29.8945 178.8314 194 R 3.3468 7.5436 118.4468 59.4113 29.7533 177.3913 195 Y 2.7972 6.8222 117.9447 60.8121 38.7026 178.4954 196 V 3.7832 7.7350 117.5261 65.7011 31.6799 177.1414 197 N 4.5316 7.7540 114.8870 53.6900 38.8687 175.7184 198 W 4.3680 6.8441 119.6461 56.5533 29.7186 175.6495 199 Q 4.4085 8.0868 118.6362 54.4990 29.0678 174.7794 200 P 4.3138 0.0000 0.0000 62.8987 30.5998 176.5887 201 S 3.8997 9.9243 118.1671 56.6962 63.8658 173.6488 202 P 4.2494 0.0000 0.0000 65.7604 30.8888 178.4344 203 L 3.7890 6.8504 119.8283 57.4381 41.8692 178.3663 204 E 4.0778 7.6171 116.9191 59.7718 29.4780 178.6560 205 H 4.4688 7.3062 114.7320 58.3906 28.7988 177.5716 206 I 3.9405 7.0513 120.8572 64.5721 37.1304 176.9933 207 E 4.1619 8.2499 118.6330 56.7262 29.2009 176.3811 *209 L 4.0627 7.6412 122.0564 55.3585 43.4175 178.4924 210 E 4.1485 8.8241 124.2329 61.1279 29.8895 175.4431 211 Q 4.3750 8.0137 117.6386 58.8794 28.5741 178.3827 212 L 4.1836 7.7376 121.3354 57.4454 41.5955 179.0615 213 R 3.9082 7.9237 119.2088 59.4648 29.8149 178.4122 214 V 4.0593 8.0633 117.4487 66.5523 31.6244 178.1275 215 L 4.1927 8.1734 117.9683 57.4644 41.3436 179.1088 216 W 4.1343 8.5236 128.0555 59.9263 30.6026 176.6078 217 Y 4.0728 7.3885 114.1118 57.1489 37.4008 176.4876 218 G 3.8970 7.7654 107.9510 45.4807 0.0000 173.8935 219 E 4.5740 7.8591 119.1491 55.9576 30.7164 175.9994 220 K 4.8072 8.5644 119.6470 54.9911 35.2086 176.2173 221 I 4.6919 8.2811 122.0543 59.9231 40.7559 173.9812 222 H 4.8195 9.0853 127.7463 55.4833 31.3247 173.7790 223 V 4.6473 7.9450 125.4128 61.1221 33.3980 174.5287 224 A 4.6005 8.8217 130.2609 50.5365 21.4035 175.4641 225 V 5.1725 8.3364 119.0426 60.6694 33.8269 176.1231 226 A 4.5079 8.3466 128.9625 50.6564 20.1659 175.2061 227 Q 4.4353 8.4095 119.4975 56.5195 26.2866 175.4929 228 E 4.4731 7.9860 124.2116 55.7091 32.8312 175.5534 *233 G 3.5192 8.3319 107.4242 45.4550 0.0000 172.8144 234 V 4.1471 8.2277 125.6727 61.3349 31.3518 173.9223 235 D 4.7925 8.9453 126.6207 53.8379 43.4226 176.3962 236 T 4.7120 7.5985 108.0123 58.6233 72.8938 172.8498 237 P 4.2832 0.0000 0.0000 66.2941 31.2885 179.1760 238 E 3.9647 8.2127 116.5894 61.5127 29.6991 180.8144 239 D 4.5707 7.8327 119.8064 57.1619 40.8488 178.7745 240 L 3.9436 7.9067 120.6295 58.2125 41.9962 179.0651 241 E 3.9060 7.9803 118.2124 59.5114 29.3056 179.1286 242 R 3.9326 7.8156 117.2422 59.0912 29.9899 177.9911 243 V 3.9347 7.3677 116.4307 65.0856 32.2001 177.7952 244 R 4.0762 8.2822 117.9554 59.1030 29.6986 178.5118 245 A 4.6108 8.4036 121.7166 52.8760 18.3936 177.8373 246 E 4.2740 7.8893 121.1197 57.7171 30.9024 178.3018 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 2 S 8.32 4.48 0.00 3.88 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 3 F 7.19 4.79 0.00 3.31 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 4 V 8.76 4.71 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 1.01 0.00 0.00 0.58 0.00 0.00 5 V 9.02 5.12 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 1.16 0.00 0.00 1.23 0.00 0.00 6 I 8.70 4.97 1.99 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.81 0.99 0.00 0.00 7 I 8.82 5.16 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.99 1.03 0.00 0.00 8 P 0.00 4.65 0.00 2.12 2.05 0.00 3.74 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 9 A 9.33 4.64 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.24 4.02 0.00 1.84 1.76 0.00 3.26 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 11 Y 8.86 3.98 0.00 2.97 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 12 A 7.93 4.24 1.32 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 0.00 0.00 13 S 8.37 4.43 0.00 3.79 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 14 T 9.04 4.07 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 15 R 7.93 4.03 0.00 1.82 2.02 0.00 3.15 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 16 L 8.24 4.55 0.00 1.66 1.54 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.39 0.00 2.18 2.07 0.00 3.83 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 1.95 1.95 0.00 18 G 8.13 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 0.00 0.00 0.00 19 K 7.09 3.65 0.00 1.87 1.80 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.45 7.81 20 P 0.00 4.27 0.00 2.17 2.22 0.00 3.22 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.02 0.00 21 L 7.31 4.48 0.00 1.63 1.72 1.11 1.09 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 22 V 8.10 3.61 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 0.89 0.00 0.00 0.92 0.00 0.00 23 D 8.64 4.45 0.00 2.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.06 4.38 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.96 0.81 0.00 0.00 25 N 9.42 4.27 0.00 2.91 2.95 0.00 0.00 7.42 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 26 G 9.04 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 27 K 7.99 4.74 0.00 1.79 1.53 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.28 1.33 7.81 28 P 0.00 5.10 0.00 2.31 1.67 0.00 3.89 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 *30 I 8.44 4.04 1.89 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 1.33 0.98 1.02 0.00 0.00 31 V 7.73 3.72 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 0.99 0.00 0.00 0.93 0.00 0.00 32 H 8.01 4.12 0.00 3.23 3.34 0.00 5.87 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.82 3.63 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.75 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 51 H 7.98 4.86 0.00 3.13 3.41 0.00 5.81 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.67 4.14 0.00 1.97 1.96 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 2.31 1.93 0.00 53 D 8.06 4.55 0.00 3.03 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 54 V 7.98 3.61 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 1.18 0.00 0.00 1.15 0.00 0.00 55 A 8.05 4.01 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 56 R 8.22 3.90 0.00 2.23 2.01 0.00 3.30 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 57 A 8.08 3.99 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 58 V 8.00 3.55 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.25 4.38 0.00 2.77 2.89 0.00 0.00 6.88 6.62 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 0.00 141 A 8.06 4.40 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 0.00 142 V 8.24 4.06 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 1.13 0.00 0.00 0.99 0.00 0.00 143 K 9.13 5.18 0.00 1.88 1.89 0.00 1.57 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.69 1.69 7.81 144 V 8.48 4.70 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 0.66 0.00 0.00 -0.03 0.00 0.00 145 V 8.02 4.30 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 0.69 0.00 0.00 0.96 0.00 0.00 146 L 8.49 4.96 0.00 1.41 1.51 0.74 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.64 4.71 0.00 2.91 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 0.00 148 A 8.62 3.93 1.31 0.00 0.00 0.00 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8.45 4.73 0.00 3.01 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 0.00 179 L 8.49 5.11 0.00 1.72 1.51 0.85 0.79 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 0.00 180 R 8.74 5.03 0.00 1.89 1.92 0.00 3.16 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 181 H 9.42 5.02 0.00 3.36 3.32 0.00 5.81 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 L 8.31 4.41 0.00 1.39 1.41 0.85 0.74 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 0.00 183 G 8.30 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 0.00 0.00 0.00 184 I 7.18 4.57 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.56 0.73 0.00 0.00 185 Y 8.49 4.95 0.00 2.17 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 0.00 0.00 0.00 186 G 8.68 4.36 0.00 0.00 0.00 0.00 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7.74 4.18 0.00 1.86 1.88 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 213 R 7.92 3.91 0.00 2.03 2.18 0.00 2.22 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 214 V 8.06 4.06 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 1.59 0.00 0.00 215 L 8.17 4.19 0.00 1.98 1.90 1.31 1.04 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 0.00 216 W 8.52 4.13 0.00 3.28 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 Y 7.39 4.07 0.00 1.90 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 0.00 218 G 7.77 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 0.00 0.00 0.00 219 E 7.86 4.57 0.00 2.42 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 0.00 2.87 3.15 0.00 220 K 8.56 4.81 0.00 1.50 1.60 0.00 1.43 0.00 0.00 1.06 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.36 7.81 221 I 8.28 4.69 2.22 0.00 0.00 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 1.45 0.95 1.19 0.00 0.00 222 H 9.09 4.82 0.00 3.44 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 V 7.95 4.65 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 0.78 0.00 0.00 0.94 0.00 0.00 224 A 8.82 4.60 1.18 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 0.00 0.00 225 V 8.34 5.17 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 0.83 0.00 0.00 0.87 0.00 0.00 226 A 8.35 4.51 1.28 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 0.00 227 Q 8.41 4.44 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 228 E 7.99 4.47 0.00 2.03 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 2.37 2.28 0.00 *233 G 8.33 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 0.00 0.00 0.00 234 V 8.23 4.15 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 0.77 0.00 0.00 0.91 0.00 0.00 235 D 8.95 4.79 0.00 2.66 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 0.00 236 T 7.60 4.71 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 1.21 0.00 0.00 237 P 0.00 4.28 0.00 2.17 2.14 0.00 3.61 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 2.11 2.14 0.00 238 E 8.21 3.96 0.00 1.97 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 0.00 2.32 1.99 0.00 239 D 7.83 4.57 0.00 2.91 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 0.00 240 L 7.91 3.94 0.00 1.78 1.65 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 241 E 7.98 3.91 0.00 2.14 1.96 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 2.52 2.45 0.00 242 R 7.82 3.93 0.00 1.80 2.09 0.00 3.24 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 243 V 7.37 3.93 2.24 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 0.86 0.00 0.00 0.91 0.00 0.00 244 R 8.28 4.08 0.00 2.01 1.95 0.00 3.36 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 245 A 8.40 4.61 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 246 E 7.89 4.27 0.00 1.91 1.63 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 2.15 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.