NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5761 8.1733 120.0891 56.4121 34.1461 174.1849 3 I 4.7287 8.5566 126.7808 58.8860 40.2732 173.1908 4 G 4.3398 9.9150 116.8624 44.6238 0.0000 171.9412 5 I 4.9525 8.9207 126.0216 59.4704 39.8827 174.8226 6 I 4.3868 8.7116 129.7032 61.3191 38.5718 177.1425 7 G 4.5249 8.9747 115.2928 47.4512 0.0000 174.6339 8 A 4.2984 8.1412 117.4628 53.0036 17.9625 179.0110 9 T 4.3835 7.8095 115.8026 65.2316 70.6289 175.9015 10 G 3.8808 7.7794 107.3182 43.9576 0.0000 173.6101 11 R 3.8216 8.6851 118.6663 59.9576 29.7426 178.0455 12 A 4.1091 7.8782 119.2660 55.2981 18.7400 179.8324 13 G 3.6145 8.0675 103.5440 47.5799 0.0000 175.7239 14 S 4.1000 8.3899 116.0170 61.3628 62.4100 176.5114 15 R 3.9250 7.6187 119.5818 59.3585 29.9947 178.6649 16 I 3.6743 7.6460 119.6254 64.5802 37.0230 178.1202 17 L 3.9036 7.9039 120.6028 58.2131 42.0193 178.4699 18 E 3.9157 7.8784 118.0598 59.6674 29.4665 178.7789 19 E 3.8994 8.6840 119.0777 59.4844 29.4752 178.9520 20 A 3.9430 8.0148 120.3471 55.1000 18.5409 179.2929 21 K 3.8212 8.3818 118.4571 60.0508 32.0263 178.7141 22 N 4.4265 8.5840 115.4475 55.9642 38.4401 176.6418 23 R 4.3987 7.6380 117.3788 55.9829 30.1481 177.0632 24 G 3.8211 7.9697 106.6998 46.0745 0.0000 173.6185 25 H 4.6552 7.5537 115.6025 54.2774 30.3054 175.4072 26 E 4.3247 8.4902 121.3731 55.8399 29.7879 175.4678 27 V 4.6951 8.2460 125.3336 61.9708 33.7668 174.4874 28 T 4.9476 8.9401 124.2911 61.7138 71.3680 172.9016 29 A 4.6916 9.2382 129.3810 51.0600 20.4151 175.9124 30 I 5.0676 8.4934 124.3351 59.3901 39.1055 175.5649 31 V 4.4923 8.0354 119.0257 59.9937 36.1333 176.8470 32 R 3.9576 8.7781 120.8569 58.6965 30.5518 177.3296 33 N 4.9593 7.8455 114.0627 51.3494 41.9454 174.6044 34 A 4.3208 8.6802 123.7795 52.5279 17.7809 178.9534 35 G 3.6592 7.2019 107.6465 50.5543 0.0000 176.3968 36 K 4.0105 7.9351 119.5869 56.8337 32.2479 180.9735 37 I 3.6863 8.0079 119.1418 64.5004 38.0932 177.7784 38 T 4.0861 7.8643 117.5165 67.5901 68.3213 176.3312 39 Q 4.1919 7.2209 120.9213 60.6229 28.1087 180.6560 40 T 4.6199 7.8934 111.7970 63.5486 70.7755 175.7433 *41 H 4.5613 9.2099 122.6854 53.5516 26.4003 177.1923 42 K 4.5384 8.2276 125.0754 54.6453 32.3284 177.6924 43 D 4.9586 7.8762 116.0378 53.4865 42.4620 180.5207 44 I 4.4449 7.4967 109.8996 59.9567 39.5342 175.5014 45 N 4.5586 8.4308 122.9059 54.0577 40.1799 173.6663 46 I 5.0373 8.2368 124.6361 59.4242 41.0912 174.3842 47 L 4.5050 8.9363 129.2471 53.2604 44.2827 175.4093 48 Q 4.4931 8.7276 129.3026 55.6380 28.8799 174.5300 49 K 4.5888 8.7377 126.7009 55.1241 35.8374 175.0529 50 D 4.6236 8.7949 126.3718 53.6814 42.4090 176.4813 51 I 3.5872 8.5741 124.2192 64.2637 37.9260 178.1709 52 F 3.9566 7.9582 117.0336 59.9730 38.7241 175.7142 53 D 4.7090 7.8894 118.2158 54.0099 41.1627 176.7238 54 L 4.1304 7.7060 121.3114 54.8934 42.1076 176.5784 55 T 4.6633 8.6436 113.3754 59.2247 71.4267 174.8147 56 L 3.8289 8.6171 124.6509 58.8251 41.3510 178.9695 57 S 4.1017 7.5766 112.8853 61.8807 62.0833 175.6017 58 D 4.4319 7.7923 118.6949 54.6314 39.7233 177.3034 59 L 4.3923 7.3139 121.1499 57.0162 42.1305 178.1562 60 S 4.4510 8.0952 110.8517 59.6238 62.9363 174.8165 61 D 4.4943 7.9880 122.4441 56.3076 41.1399 176.2097 62 Q 4.7176 7.7683 117.4046 54.2156 31.0274 175.3129 63 N 4.6795 8.9611 118.2990 55.4568 40.1251 175.5248 64 V 4.9187 7.5911 117.4493 61.1854 35.6385 173.8882 65 V 4.6962 9.0961 127.5808 61.1334 34.0339 174.4530 66 V 4.2641 8.8033 130.0713 62.2891 32.7852 174.6294 67 D 4.9107 9.7718 130.5652 52.4858 41.0564 175.7612 68 A 5.2458 8.4166 131.8403 50.6475 18.3085 175.2652 69 Y 4.4444 8.1352 123.5385 57.8420 40.7847 174.6608 70 G 4.6621 7.7143 113.6458 47.2107 0.0000 173.9307 71 I 4.2281 8.6450 118.2113 61.8379 38.8875 176.1258 72 S 3.5467 6.9792 113.6836 55.4390 66.4389 172.9204 73 P 4.1674 0.0000 0.0000 65.7466 31.2948 178.8831 74 D 4.3463 7.9311 117.8169 56.5236 39.1988 178.1991 75 E 4.0997 7.9180 119.6969 57.7782 29.0787 178.5534 76 A 4.2993 7.5393 119.1521 53.6255 18.6767 178.1086 77 E 4.6155 8.2112 115.3599 56.1842 30.7447 177.1033 78 K 4.7488 7.4480 118.4244 56.5784 32.9049 177.8675 79 H 4.3414 8.3277 118.3767 59.1514 28.8904 177.8099 80 V 3.6815 7.8933 120.3382 65.2523 31.1806 178.3663 81 T 3.9929 7.9409 116.0794 66.4370 68.6095 176.8064 82 S 3.3208 8.2173 116.3141 60.9403 62.7634 176.2993 83 L 3.8610 7.7646 123.8232 57.8865 41.8376 178.4491 84 D 4.3348 7.9931 118.7172 57.6623 40.7885 178.3196 85 H 4.0930 7.9138 117.9849 59.4263 29.8572 177.3030 86 L 3.8265 7.6230 120.2360 57.6427 41.3583 179.5867 87 I 3.0213 7.9151 120.4269 64.1890 36.8005 178.6791 88 S 3.9809 7.5885 113.7635 61.3677 62.9509 176.3682 89 V 3.6016 7.4398 120.9870 65.2421 31.3435 177.3027 90 L 4.1654 7.7620 116.9573 54.4316 42.1639 176.6954 91 N 4.0880 6.8080 117.3774 54.9299 39.3852 174.0692 92 G 4.0052 8.6410 110.6148 46.6610 0.0000 173.3400 93 T 4.8225 7.6084 113.3263 62.1002 72.8465 175.0624 94 V 4.5611 8.1310 119.0138 60.6879 32.4030 176.5947 95 S 3.8379 7.5869 112.7654 60.6261 63.0770 172.2361 96 P 5.1140 0.0000 0.0000 59.6234 34.7490 173.8658 97 R 4.4946 8.4846 122.3884 55.4302 31.9415 174.8920 98 L 5.0253 9.1483 129.0156 53.7326 43.7846 174.7773 99 L 4.9846 8.9247 130.4701 53.6913 43.8078 175.0630 100 V 4.4443 9.3201 128.5126 61.4452 33.2282 174.5156 101 V 4.3660 8.3184 128.7552 61.6954 32.4614 175.1436 102 G 4.2681 8.4265 117.6905 44.9639 0.0000 173.0217 103 G 3.4608 8.0162 101.8325 45.3318 0.0000 174.0435 104 A 3.8327 7.2114 118.9065 52.0540 20.0848 176.5567 105 A 4.5121 7.9875 125.3552 52.5020 19.1217 176.7487 *125 A 3.8789 8.9157 121.1037 53.5161 19.9835 175.6127 126 P 3.8558 0.0000 0.0000 62.1712 31.2635 175.3627 127 Y 4.6054 7.6092 120.8336 58.1180 38.2113 175.4399 128 Y 4.9949 6.7557 118.7970 54.8045 39.6235 173.0626 129 P 4.0343 0.0000 0.0000 63.6061 31.8758 177.2687 130 T 4.4029 8.3728 115.7065 60.9626 69.8492 175.2977 131 A 4.0210 8.4400 123.1857 55.2943 18.3145 179.8728 132 R 3.9437 7.9846 113.8894 59.0402 29.8541 178.5528 133 A 3.9766 7.9958 121.1067 54.9425 18.3335 179.2015 134 Q 4.1191 8.5160 119.0909 58.8416 29.1772 178.1437 135 A 3.8807 7.6611 121.7619 55.1127 18.2422 179.7425 136 K 3.8124 8.1912 116.8531 59.7263 31.6593 179.3455 137 Q 3.9095 8.0031 118.1625 59.2187 28.6351 179.3200 138 L 3.7934 7.9482 119.9647 57.7436 41.3359 179.5249 139 E 3.9599 7.9671 117.8237 59.7133 29.5547 178.8035 140 H 4.4065 8.5648 116.6678 58.6185 28.6591 177.9068 141 L 3.6840 8.2920 121.2589 57.6009 41.1405 179.6856 142 K 4.2067 7.8954 117.0082 59.1598 32.0054 179.0830 143 S 4.3984 7.6271 114.4014 60.2538 63.0703 174.1012 144 H 5.2072 8.0400 119.1171 55.3348 29.7969 176.3177 145 Q 4.1104 8.0650 118.6973 59.1061 28.6440 178.7354 146 A 4.7093 7.9215 116.6498 52.0584 19.3239 177.2384 147 E 4.3069 8.5494 117.1096 58.2442 29.8565 175.9135 148 F 5.5683 7.7656 111.8199 57.2323 40.9917 173.1219 149 S 4.5300 8.6782 114.1684 57.0593 63.0739 172.6754 150 W 5.7327 7.7170 123.1694 55.7351 32.1467 173.8328 151 T 4.7705 9.3417 116.3659 62.6251 73.2001 172.1020 152 Y 5.0591 9.1298 127.2439 55.9019 41.2607 173.8638 153 I 4.6622 8.7470 127.4012 59.2376 40.7937 174.2388 154 S 5.3177 8.5148 124.8792 55.9691 66.1807 172.2852 155 P 4.7059 0.0000 0.0000 62.1154 32.2214 176.8608 156 S 4.1317 8.7258 114.2177 61.1492 63.0945 173.8105 157 A 4.3381 7.4862 119.4500 52.6458 20.9963 175.7919 *159 F 4.8659 7.5213 112.0366 57.4461 40.2299 174.7655 160 E 4.6545 8.5067 121.8613 53.8550 32.7848 173.6170 161 P 4.1414 0.0000 0.0000 63.1339 32.2405 175.6906 162 G 4.2079 8.3266 114.5461 44.8173 0.0000 170.7917 *184 F 4.8456 8.2379 118.9127 57.5515 41.1126 174.3810 185 I 4.6513 8.3121 121.2046 60.4831 41.0085 174.5497 186 S 5.1086 8.6147 126.4380 58.4438 64.2931 175.7719 *188 E 4.3776 8.8789 111.7024 56.2167 31.6478 178.0902 189 D 4.4230 7.9959 119.3689 57.3665 40.7775 177.9182 190 Y 4.3207 8.1673 119.4782 60.6995 38.7752 177.7841 191 A 3.9472 7.9451 121.3138 55.0837 18.5634 179.5298 192 I 3.6411 7.6605 117.7974 64.2612 37.1533 178.5372 193 A 3.9404 8.0450 121.6196 55.1483 18.1865 179.4404 194 V 3.4198 7.8298 117.1615 66.5299 31.6445 178.3687 195 L 4.0299 8.1730 118.0410 57.2080 41.3607 179.4001 196 D 4.3109 7.9009 119.4516 57.4260 40.5475 178.2446 197 E 4.1513 8.3272 119.6264 59.2116 29.2876 178.9617 198 I 3.7778 7.1949 119.5404 64.1634 37.3071 177.7002 199 E 4.3205 7.9280 118.0519 57.6972 30.7813 177.3995 200 R 4.5398 8.1726 116.9132 52.5384 30.6652 171.9167 201 P 4.4800 0.0000 0.0000 62.5959 32.0015 176.1322 202 N 4.8035 9.5824 117.5798 52.8934 41.3318 174.0717 203 H 4.6559 7.6759 114.3554 54.4536 29.5525 173.9878 204 L 3.8143 7.5430 119.0449 55.7447 42.3692 177.5436 205 N 3.1400 8.2000 121.9135 52.8211 36.7336 173.4913 206 E 4.4603 6.5291 112.5916 55.5849 33.1320 173.4423 207 H 5.7087 8.8729 120.5036 55.7611 31.6238 174.0179 208 F 4.8201 8.9987 116.2833 56.3480 41.2789 172.7777 209 T 4.7741 8.3062 117.4935 61.6376 70.1929 174.8532 210 V 3.8826 8.6583 125.6829 62.3186 32.2379 176.4663 211 A 4.6485 8.7655 127.3232 49.7347 18.3799 177.2516 212 G 4.3848 8.9634 107.9282 48.2942 0.0000 172.4403 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 K 8.17 4.58 0.00 1.96 1.85 0.00 1.58 0.00 0.00 2.05 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.60 7.81 3 I 8.56 4.73 1.85 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.91 0.88 0.00 0.00 4 G 9.91 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 0.00 0.00 0.00 5 I 8.92 4.95 1.88 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 1.22 0.66 0.92 0.00 0.00 6 I 8.71 4.39 2.02 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 1.18 0.68 1.00 0.00 0.00 7 G 8.97 4.52 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 8 A 8.14 4.30 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 9 T 7.81 4.38 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 10 G 7.78 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 11 R 8.69 3.82 0.00 1.90 1.90 0.00 3.20 0.00 0.00 3.30 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 12 A 7.88 4.11 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 13 G 8.07 3.61 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 0.00 0.00 0.00 14 S 8.39 4.10 0.00 4.10 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 15 R 7.62 3.92 0.00 1.96 1.95 0.00 3.37 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 1.82 1.80 0.00 16 I 7.65 3.67 1.99 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.81 0.86 0.00 0.00 17 L 7.90 3.90 0.00 1.82 1.85 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.88 3.92 0.00 2.21 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 2.50 2.48 0.00 19 E 8.68 3.90 0.00 2.02 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 0.00 2.38 2.40 0.00 20 A 8.01 3.94 1.42 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 21 K 8.38 3.82 0.00 1.81 2.02 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 22 N 8.58 4.43 0.00 2.82 2.87 0.00 0.00 7.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.64 4.40 0.00 2.00 1.99 0.00 3.43 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 24 G 7.97 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 H 7.55 4.66 0.00 3.20 3.24 0.00 5.85 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.49 4.32 0.00 1.94 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 2.39 2.31 0.00 27 V 8.25 4.70 2.09 0.00 0.00 0.00 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 28 T 8.94 4.95 4.33 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 1.22 0.00 0.00 29 A 9.24 4.69 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.49 5.07 2.00 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 1.25 1.89 0.97 0.00 0.00 31 V 8.04 4.49 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 0.77 0.00 0.00 0.96 0.00 0.00 32 R 8.78 3.96 0.00 1.82 2.01 0.00 3.44 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 33 N 7.85 4.96 0.00 2.69 2.66 0.00 0.00 7.00 8.03 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 34 A 8.68 4.32 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 35 G 7.20 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.94 4.01 0.00 1.69 1.83 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.01 7.81 37 I 8.01 3.69 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 1.42 1.04 0.94 0.00 0.00 38 T 7.86 4.09 4.26 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 1.21 0.00 0.00 39 Q 7.22 4.19 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 40 T 7.89 4.62 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 *41 H 9.21 4.56 0.00 2.96 2.92 0.00 7.19 0.00 0.00 0.00 0.00 6.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.23 4.54 0.00 1.76 1.71 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 0.98 7.81 43 D 7.88 4.96 0.00 2.63 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.50 4.44 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 1.34 1.33 0.92 0.00 0.00 45 N 8.43 4.56 0.00 2.79 2.73 0.00 0.00 7.07 8.00 0.00 0.00 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 I 8.24 5.04 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 1.24 0.96 0.92 0.00 0.00 47 L 8.94 4.51 0.00 1.73 1.52 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.73 4.49 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.40 0.00 0.00 0.00 0.00 0.00 2.33 2.60 0.00 49 K 8.74 4.59 0.00 1.77 1.63 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.40 7.81 50 D 8.79 4.62 0.00 2.88 2.79 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 59 L 7.31 4.39 0.00 1.71 1.75 0.92 0.73 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 60 S 8.10 4.45 0.00 4.01 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 61 D 7.99 4.49 0.00 2.84 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 62 Q 7.77 4.72 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 63 N 8.96 4.68 0.00 2.83 2.85 0.00 0.00 6.56 7.44 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 64 V 7.59 4.92 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.91 0.00 0.00 65 V 9.10 4.70 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 1.00 0.00 0.00 0.96 0.00 0.00 66 V 8.80 4.26 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 0.90 0.00 0.00 0.90 0.00 0.00 67 D 9.77 4.91 0.00 2.79 2.58 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 68 A 8.42 5.25 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 69 Y 8.14 4.44 0.00 3.21 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 70 G 7.71 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.64 4.23 1.75 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 1.41 0.55 0.90 0.00 0.00 72 S 6.98 3.55 0.00 3.59 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 73 P 0.00 4.17 0.00 2.07 2.09 0.00 3.27 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.82 0.00 74 D 7.93 4.35 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 75 E 7.92 4.10 0.00 1.86 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.93 0.00 76 A 7.54 4.30 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 0.00 0.00 77 E 8.21 4.62 0.00 1.98 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 2.29 2.60 0.00 78 K 7.45 4.75 0.00 2.16 2.23 0.00 1.89 0.00 0.00 1.65 0.00 0.00 3.22 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.48 1.57 7.81 79 H 8.33 4.34 0.00 3.39 3.49 0.00 5.82 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.89 3.68 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.88 0.00 0.00 81 T 7.94 3.99 4.41 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 1.60 0.00 0.00 82 S 8.22 3.32 0.00 2.96 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 83 L 7.76 3.86 0.00 1.82 1.84 0.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.61 4.82 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 94 V 8.13 4.56 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 0.81 0.00 0.00 0.94 0.00 0.00 95 S 7.59 3.84 0.00 4.02 4.01 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 96 P 0.00 5.11 0.00 1.98 2.08 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.18 0.00 97 R 8.48 4.49 0.00 1.91 1.79 0.00 3.02 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 98 L 9.15 5.03 0.00 2.04 1.85 1.07 0.61 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 99 L 8.92 4.98 0.00 1.73 1.53 0.97 0.96 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 0.00 100 V 9.32 4.44 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.44 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Q 8.06 4.11 0.00 2.16 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.62 2.47 0.00 146 A 7.92 4.71 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 0.00 147 E 8.55 4.31 0.00 2.33 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 0.00 2.41 2.34 0.00 148 F 7.77 5.57 0.00 3.17 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 0.00 149 S 8.68 4.53 0.00 3.94 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 0.00 150 W 7.72 5.73 0.00 3.38 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 0.00 0.00 0.00 0.00 151 T 9.34 4.77 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 1.47 0.00 0.00 152 Y 9.13 5.06 0.00 3.56 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.75 4.66 1.80 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.67 0.76 0.00 0.00 154 S 8.51 5.32 0.00 3.82 3.72 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 0.00 0.00 0.00 0.00 155 P 0.00 4.71 0.00 1.70 0.88 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.00 156 S 8.73 4.13 0.00 4.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 A 7.49 4.34 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 *159 F 7.52 4.87 0.00 3.06 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 0.00 160 E 8.51 4.65 0.00 1.91 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 161 P 0.00 4.14 0.00 2.03 2.04 0.00 3.65 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 2.02 2.13 0.00 162 G 8.33 4.21 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 0.00 *184 F 8.24 4.85 0.00 3.03 2.98 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 0.00 185 I 8.31 4.65 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.52 1.04 0.00 0.00 186 S 8.61 5.11 0.00 4.02 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 *188 E 8.88 4.38 0.00 2.21 2.26 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 2.30 2.31 0.00 189 D 8.00 4.42 0.00 3.01 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 Y 8.17 4.32 0.00 3.09 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 0.00 191 A 7.95 3.95 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 0.00 192 I 7.66 3.64 2.10 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 1.59 1.06 0.93 0.00 0.00 193 A 8.05 3.94 1.42 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 0.00 194 V 7.83 3.42 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 0.90 0.00 0.00 0.39 0.00 0.00 195 L 8.17 4.03 0.00 1.90 1.70 0.98 1.36 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 0.00 196 D 7.90 4.31 0.00 2.97 2.72 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 0.00 0.00 0.00 0.00 197 E 8.33 4.15 0.00 2.23 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 0.00 2.47 2.42 0.00 198 I 7.19 3.78 1.98 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 1.49 0.80 0.84 0.00 0.00 199 E 7.93 4.32 0.00 1.98 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 2.37 2.55 0.00 200 R 8.17 4.54 0.00 1.65 1.77 0.00 3.18 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 201 P 0.00 4.48 0.00 1.95 1.94 0.00 3.62 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.15 0.00 202 N 9.58 4.80 0.00 2.48 2.24 0.00 0.00 6.81 8.19 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 0.00 203 H 7.68 4.66 0.00 2.63 2.89 0.00 5.70 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 L 7.54 3.81 0.00 1.46 1.42 0.83 1.00 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 0.00 205 N 8.20 3.14 0.00 2.51 2.53 0.00 0.00 6.86 8.30 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 0.00 206 E 6.53 4.46 0.00 1.98 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 2.09 2.26 0.00 207 H 8.87 5.71 0.00 3.44 3.41 0.00 5.79 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 0.00 208 F 9.00 4.82 0.00 3.07 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 T 8.31 4.77 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 1.25 0.00 0.00 210 V 8.66 3.88 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 0.81 0.00 0.00 1.05 0.00 0.00 211 A 8.77 4.65 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 0.00 212 G 8.96 4.38 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 * Residues marked with a * may have inaccurate shift predictions.