NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 H 4.7147 8.4331 117.3750 53.7053 29.5539 174.2014 3 G 4.2832 8.6802 111.0919 41.6445 0.0000 170.0751 4 P 4.4498 0.0000 0.0000 62.3280 33.0876 174.0394 5 V 4.2928 8.1660 120.5170 61.1906 33.9855 174.4886 6 T 4.5474 8.1107 122.1123 61.7216 70.1794 173.9373 7 F 4.2978 8.8606 125.5783 56.4590 39.9006 175.4295 8 V 4.1999 8.2494 125.9593 60.3029 31.4389 173.4651 9 P 4.5867 0.0000 0.0000 61.8856 32.1668 176.0743 10 D 4.4454 8.4996 119.1110 54.6642 41.2534 176.9554 11 T 3.8207 8.4901 118.8858 63.3106 68.7671 172.3356 12 P 4.2093 0.0000 0.0000 62.9018 31.6745 176.0023 13 I 4.0006 8.2656 124.8371 60.6462 37.6097 176.0305 14 E 4.2271 8.6214 125.3521 55.6645 30.2391 177.5374 15 S 4.3095 8.5396 116.3393 58.6823 64.8631 175.3013 16 R 3.8745 8.7343 122.7595 59.8629 29.4999 178.7092 17 A 4.1753 7.7286 120.7082 54.7095 18.7385 179.6350 18 R 4.2392 8.0419 116.3027 59.5071 30.0280 178.9128 19 L 4.0508 8.0154 117.9711 58.1216 41.7929 179.4350 20 S 4.4703 8.0583 111.5477 58.5672 63.3946 174.2966 21 L 3.3446 7.2433 124.9429 54.5086 42.3369 174.8910 22 P 4.2367 0.0000 0.0000 62.4249 31.8312 177.4638 23 K 3.9253 8.5848 121.1182 59.9300 32.7033 177.7979 24 Q 4.3092 7.9947 115.1026 56.5642 28.7240 174.8226 25 L 5.2729 7.4917 117.3155 53.3605 45.7773 176.2446 26 V 4.5347 9.1978 114.7729 59.5478 35.8642 174.5992 27 L 5.0807 8.3751 123.8599 54.0369 42.7410 176.1960 28 R 4.4820 8.8281 117.9940 54.7323 33.0993 173.8333 29 Q 4.5310 8.8316 121.3877 57.2787 29.2524 176.8082 30 S 4.8916 10.4337 120.4604 57.4283 64.6453 175.2115 31 I 4.0403 8.0496 122.1717 61.4752 33.2837 175.5454 *34 A 4.3022 7.9909 127.6593 51.4719 20.6559 176.7090 35 E 4.7623 7.4365 113.3863 53.8979 33.2414 174.4140 36 V 3.9992 8.4903 122.0042 62.9228 32.2696 175.3062 37 G 4.6677 8.9437 114.6315 42.8012 0.0000 171.3013 38 V 5.0839 8.2998 118.6733 60.9534 33.7983 174.6855 39 W 5.3837 9.4763 127.4905 54.8191 33.2303 174.8567 40 T 4.5715 8.9847 113.3353 61.8833 69.3203 175.2477 41 G 4.3321 9.2629 111.1570 46.3633 0.0000 172.2340 42 E 4.9552 7.8931 116.7367 54.6475 33.4030 174.9867 43 T 4.3022 8.5903 116.3867 64.0664 69.3098 174.1432 44 I 4.5170 8.8378 127.3181 58.7739 39.4679 174.1278 45 P 4.8337 0.0000 0.0000 62.0429 32.0696 177.0211 46 V 3.9217 8.5523 119.0491 64.2664 31.4850 177.9406 47 R 4.7386 7.7230 118.9449 55.3786 29.0500 176.6509 48 T 4.4663 7.9459 109.8566 60.2695 71.3633 173.9288 49 C 5.4250 8.5362 122.5317 55.1841 42.5197 173.0551 50 F 5.0823 10.4326 121.9634 56.2257 41.8437 175.5110 51 G 3.7502 9.1070 107.8617 42.4935 0.0000 171.2445 52 P 3.3901 0.0000 0.0000 61.7601 31.9270 176.2657 53 L 3.4261 7.6132 124.2640 55.4999 42.8007 176.2265 54 I 4.3054 7.8837 125.6806 59.7242 40.0438 174.9499 55 G 3.9953 8.0443 115.4344 44.6639 0.0000 170.8026 56 Q 4.2442 8.4973 122.9657 55.5833 29.7603 176.3619 57 Q 4.9813 8.5335 125.9813 55.3095 30.5802 175.6780 58 S 4.5044 8.8765 117.3212 57.4488 65.2848 174.6448 59 H 4.3891 9.3989 125.3194 58.0504 28.8470 176.1909 60 S 4.6776 7.7896 113.1478 58.3868 64.0264 173.8056 *73 H 4.6980 7.9351 113.4523 56.7789 29.0753 173.5615 74 I 5.0978 7.2757 116.6620 59.1997 41.4328 174.8769 75 W 4.9728 9.4765 128.9722 54.7796 32.6263 174.4891 76 K 4.8002 9.0440 122.6590 54.6583 34.3696 175.5521 77 I 4.2471 8.2390 126.4846 59.8887 38.7100 174.5410 78 Y 5.0139 8.6018 124.5199 56.6661 40.6849 175.0519 79 H 4.7637 9.2723 121.1947 56.0470 33.0017 173.3337 80 N 4.1485 9.8422 124.9295 54.4471 36.0270 175.2684 81 G 3.8958 8.4471 103.3585 45.4832 0.0000 173.6756 82 V 4.3986 7.6992 120.2850 60.3255 33.3544 174.5020 83 L 3.9063 8.5472 129.2926 55.2480 42.4124 175.9438 84 E 4.4010 8.9193 127.1470 58.4351 30.0763 176.5026 85 F 4.7816 6.9599 111.5521 56.5301 41.3049 171.8997 86 C 5.2493 8.9052 116.4852 58.1145 31.6362 173.3085 87 I 5.1293 9.0144 121.1289 59.8613 40.2541 174.6501 88 I 4.8272 8.7531 128.8125 59.4925 38.7842 176.2572 89 T 5.0560 8.3945 116.8668 61.5799 66.6034 173.9432 90 T 4.2230 7.9666 113.4299 62.1189 70.2193 172.4931 91 D 4.7415 7.7251 120.5668 52.1973 41.5714 175.7907 92 E 3.9554 8.7653 127.8051 59.4168 29.5932 178.9171 93 N 4.6888 8.4615 113.6693 54.1248 38.5912 175.1557 94 E 4.6456 8.5287 117.7396 56.1652 30.9778 175.0244 95 C 4.9693 7.8109 117.1008 57.6583 32.7906 173.0119 96 N 4.7772 8.2557 119.1184 50.8427 39.2074 174.4554 97 W 4.4049 8.9977 116.0250 57.3532 28.0326 176.8708 *100 F 4.9991 8.5459 121.9848 56.9870 40.4642 175.4679 101 V 4.1759 7.3895 116.8200 61.3553 31.9362 176.2319 102 R 4.6074 8.4896 123.7071 55.0709 32.4580 175.0342 103 K 3.7867 8.1756 121.8022 54.8733 32.9231 176.2775 104 A 4.0090 8.4158 132.3248 53.1893 18.7764 178.2070 105 R 4.1711 8.6844 120.4165 55.9761 30.2931 176.1798 106 N 4.1532 6.5962 114.5587 53.5078 40.4730 179.6844 107 R 4.5094 8.2790 114.6591 57.5184 32.2267 176.7665 108 E 4.1374 8.1624 116.5090 59.5727 29.8163 177.9616 109 E 3.9902 7.9908 116.8759 58.9927 29.7640 177.6446 110 Q 4.0905 7.7616 119.9315 56.8869 29.3999 175.5180 111 N 5.1332 9.1758 120.2979 52.2575 39.5570 173.6221 112 L 5.4123 7.8775 119.2445 53.1522 46.1986 175.1928 113 V 4.8163 8.8644 121.9918 61.0706 34.3373 174.1585 114 A 5.1897 9.0918 130.2229 51.2345 20.3355 175.4158 115 Y 5.1615 9.3141 121.3536 55.5334 40.8126 173.9814 116 P 4.9097 0.0000 0.0000 63.3614 32.8600 175.6709 117 H 4.4427 9.8337 119.3465 56.6830 33.1569 173.1967 118 D 4.3439 9.6621 126.7520 55.4658 39.3173 173.4774 119 G 3.9407 8.7834 101.8731 45.7377 0.0000 173.8838 120 K 4.5650 7.9256 117.3877 54.4247 36.5934 174.9416 121 I 4.7231 7.4527 119.8463 59.5411 39.8692 175.0151 122 F 4.9371 9.1282 124.7298 55.5452 43.2163 174.0523 123 F 5.7184 8.9294 120.2161 56.3157 41.1520 174.0122 124 C 5.8450 9.4073 121.6866 55.0681 43.6311 173.7179 125 T 4.7918 8.9419 114.6212 61.7567 69.0706 174.3921 126 S 4.9010 8.6012 119.4655 57.6493 63.5176 173.4923 127 Q 4.6269 7.5898 116.6296 55.6981 30.9831 172.7006 128 D 4.8506 9.0198 120.6749 55.1332 41.7091 175.8940 129 I 4.5417 9.0487 124.9887 58.7177 39.2258 173.8973 130 P 4.8122 0.0000 0.0000 61.5461 32.3332 174.2476 131 P 4.3134 0.0000 0.0000 63.4163 32.1007 175.7549 132 E 4.0402 9.1420 119.0551 58.0849 27.6137 174.2583 133 N 5.1956 7.9510 114.3041 51.1864 41.7218 174.3340 134 E 3.3182 7.7417 123.4343 55.6861 31.0308 175.2766 135 L 4.7168 8.5462 127.0406 54.1464 42.9481 176.4237 136 L 4.9596 9.5613 123.8185 53.0896 45.7147 175.6813 137 F 5.3061 8.5496 119.0607 55.6906 40.7619 174.0684 138 Y 4.5974 8.3885 119.6238 55.7010 42.8437 173.7631 139 Y 4.8949 6.6007 120.3733 57.7292 38.6952 176.5080 140 S 4.1166 8.9527 118.2166 58.8106 63.9837 175.4876 141 R 3.9832 8.9698 121.2179 59.7800 29.8555 178.5426 142 D 4.3958 8.1898 118.4359 56.7259 39.4166 177.8270 143 Y 3.9626 8.0003 120.8245 60.2323 38.7932 177.3854 144 A 3.7456 8.5085 122.4264 55.1504 18.2195 179.5924 145 Q 3.8457 7.9401 115.3035 59.2001 28.8998 177.9796 146 Q 3.7356 7.7087 121.0954 58.3349 29.0474 177.5382 147 I 3.9829 8.0181 112.4639 61.1837 38.4018 175.8960 148 G 3.4416 7.5708 113.9119 45.0310 0.0000 173.2346 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 H 8.43 4.71 0.00 2.95 2.78 0.00 7.12 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 G 8.68 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 4 P 0.00 4.45 0.00 2.17 2.07 0.00 3.44 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 5 V 8.17 4.29 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 0.16 0.00 0.00 0.79 0.00 0.00 6 T 8.11 4.55 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 7 F 8.86 4.30 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.25 4.20 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 0.86 0.00 0.00 0.94 0.00 0.00 9 P 0.00 4.59 0.00 2.24 2.06 0.00 3.88 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 2.01 2.02 0.00 10 D 8.50 4.45 0.00 2.70 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 11 T 8.49 3.82 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 12 P 0.00 4.21 0.00 2.04 2.03 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 13 I 8.27 4.00 1.89 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 1.43 0.59 0.93 0.00 0.00 14 E 8.62 4.23 0.00 1.99 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 2.26 0.00 15 S 8.54 4.31 0.00 4.27 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 16 R 8.73 3.87 0.00 1.91 2.16 0.00 3.17 0.00 0.00 3.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 17 A 7.73 4.18 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 18 R 8.04 4.24 0.00 1.98 2.15 0.00 3.24 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.94 0.00 19 L 8.02 4.05 0.00 1.82 1.81 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.06 4.47 0.00 4.28 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 21 L 7.24 3.34 0.00 1.79 1.62 0.73 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.24 0.00 1.91 1.98 0.00 2.20 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.96 0.00 23 K 8.58 3.93 0.00 2.10 1.93 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.01 7.81 24 Q 7.99 4.31 0.00 2.26 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 25 L 7.49 5.27 0.00 1.29 1.35 -0.06 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 26 V 9.20 4.53 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 0.68 0.00 0.00 1.04 0.00 0.00 27 L 8.38 5.08 0.00 1.39 1.38 0.58 0.70 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 28 R 8.83 4.48 0.00 1.53 1.76 0.00 2.21 0.00 0.00 2.53 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.62 0.00 29 Q 8.83 4.53 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.02 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 30 S 10.43 4.89 0.00 4.17 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 31 I 8.05 4.04 1.87 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 1.27 0.72 0.93 0.00 0.00 *34 A 7.99 4.30 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 35 E 7.44 4.76 0.00 2.19 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 2.35 2.31 0.00 36 V 8.49 4.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.93 0.00 0.00 37 G 8.94 4.67 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 0.00 0.00 0.00 38 V 8.30 5.08 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 1.08 0.00 0.00 1.31 0.00 0.00 39 W 9.48 5.38 0.00 3.20 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 40 T 8.98 4.57 4.56 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 1.27 0.00 0.00 41 G 9.26 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 0.00 0.00 0.00 0.00 42 E 7.89 4.96 0.00 1.94 1.92 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 2.20 2.37 0.00 43 T 8.59 4.30 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 1.27 0.00 0.00 44 I 8.84 4.52 2.02 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.00 1.15 0.00 0.00 45 P 0.00 4.83 0.00 2.04 2.01 0.00 3.71 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 46 V 8.55 3.92 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 0.94 0.00 0.00 1.04 0.00 0.00 47 R 7.72 4.74 0.00 1.69 1.92 0.00 3.17 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 48 T 7.95 4.47 4.03 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 0.00 0.00 1.25 0.00 0.00 49 C 8.54 5.43 0.00 2.71 3.03 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 0.00 0.00 0.00 50 F 10.43 5.08 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 51 G 9.11 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 52 P 0.00 3.39 0.00 1.70 1.45 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.89 0.00 53 L 7.61 3.43 0.00 0.62 0.92 0.26 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.88 4.31 1.80 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 1.15 0.84 0.87 0.00 0.00 55 G 8.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.50 4.24 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 57 Q 8.53 4.98 0.00 1.77 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.47 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 58 S 8.88 4.50 0.00 3.89 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 9.40 4.39 0.00 3.19 3.40 0.00 5.73 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.79 4.68 0.00 3.96 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 *73 H 7.94 4.70 0.00 3.25 3.46 0.00 5.76 0.00 0.00 0.00 0.00 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.28 5.10 1.86 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 0.76 0.82 0.00 0.00 75 W 9.48 4.97 0.00 3.28 3.08 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 76 K 9.04 4.80 0.00 1.72 1.33 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.36 7.81 77 I 8.24 4.25 0.56 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.24 0.60 0.00 0.00 78 Y 8.60 5.01 0.00 2.88 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 79 H 9.27 4.76 0.00 3.08 3.23 0.00 5.73 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 9.84 4.15 0.00 2.81 2.80 0.00 0.00 7.18 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 81 G 8.45 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 82 V 7.70 4.40 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 1.03 0.00 0.00 0.97 0.00 0.00 83 L 8.55 3.91 0.00 1.47 1.49 0.21 0.87 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 84 E 8.92 4.40 0.00 1.59 2.16 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 2.32 2.18 0.00 85 F 6.96 4.78 0.00 3.00 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 86 C 8.91 5.25 0.00 2.93 2.93 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 87 I 9.01 5.13 2.03 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 1.49 1.03 0.91 0.00 0.00 88 I 8.75 4.83 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.27 0.94 0.00 0.00 89 T 8.39 5.06 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 1.27 0.00 0.00 90 T 7.97 4.22 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 1.21 0.00 0.00 91 D 7.73 4.74 0.00 2.71 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 92 E 8.77 3.96 0.00 2.12 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 2.40 2.44 0.00 93 N 8.46 4.69 0.00 2.81 2.86 0.00 0.00 6.85 7.19 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 94 E 8.53 4.65 0.00 1.79 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 95 C 7.81 4.97 0.00 2.65 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 96 N 8.26 4.78 0.00 2.78 2.76 0.00 0.00 6.95 8.32 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 97 W 9.00 4.40 0.00 3.80 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 *100 F 8.55 5.00 0.00 3.55 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 0.00 101 V 7.39 4.18 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 0.95 0.00 0.00 0.99 0.00 0.00 102 R 8.49 4.61 0.00 1.73 1.86 0.00 3.39 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.65 0.00 103 K 8.18 3.79 0.00 1.30 1.40 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.60 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.91 0.21 7.81 104 A 8.42 4.01 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.68 4.17 0.00 1.85 1.82 0.00 3.36 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.00 106 N 6.60 4.15 0.00 2.63 2.69 0.00 0.00 6.25 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 0.00 107 R 8.28 4.51 0.00 1.63 1.87 0.00 3.13 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.00 108 E 8.16 4.14 0.00 1.96 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 2.29 2.30 0.00 109 E 7.99 3.99 0.00 2.11 1.92 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 2.25 2.23 0.00 110 Q 7.76 4.09 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 111 N 9.18 5.13 0.00 2.87 2.97 0.00 0.00 6.34 6.27 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 0.00 112 L 7.88 5.41 0.00 1.57 1.60 0.92 1.08 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 0.00 113 V 8.86 4.82 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 0.18 0.00 0.00 0.97 0.00 0.00 114 A 9.09 5.19 1.44 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 0.00 0.00 0.00 115 Y 9.31 5.16 0.00 3.03 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.91 0.00 2.26 2.26 0.00 4.07 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 2.32 2.33 0.00 117 H 9.83 4.44 0.00 3.28 3.50 0.00 5.93 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 9.66 4.34 0.00 2.59 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 0.00 119 G 8.78 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 0.00 120 K 7.93 4.57 0.00 2.03 1.16 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.39 7.81 121 I 7.45 4.72 0.98 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 1.02 0.49 -0.19 0.00 0.00 122 F 9.13 4.94 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.93 5.72 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 C 9.41 5.84 0.00 3.19 3.06 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 0.00 125 T 8.94 4.79 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 1.48 0.00 0.00 126 S 8.60 4.90 0.00 3.96 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 0.00 127 Q 7.59 4.63 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 7.11 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 128 D 9.02 4.85 0.00 2.61 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 0.00 129 I 9.05 4.54 1.95 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 1.34 0.88 0.94 0.00 0.00 130 P 0.00 4.81 0.00 2.11 2.10 0.00 3.82 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 2.21 2.03 0.00 131 P 0.00 4.31 0.00 2.00 2.09 0.00 3.86 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 2.06 2.18 0.00 132 E 9.14 4.04 0.00 2.15 2.16 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 2.24 2.31 0.00 133 N 7.95 5.20 0.00 2.90 2.63 0.00 0.00 6.72 7.73 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 0.00 134 E 7.74 3.32 0.00 1.16 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 1.85 1.47 0.00 135 L 8.55 4.72 0.00 1.53 1.60 0.87 0.94 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 0.00 136 L 9.56 4.96 0.00 1.37 1.44 0.78 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 137 F 8.55 5.31 0.00 2.62 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 0.00 138 Y 8.39 4.60 0.00 2.86 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 0.00 139 Y 6.60 4.89 0.00 2.74 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 0.00 140 S 8.95 4.12 0.00 3.85 3.56 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 0.00 141 R 8.97 3.98 0.00 2.08 2.06 0.00 3.30 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.26 0.00 142 D 8.19 4.40 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 Y 8.00 3.96 0.00 3.22 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 0.00 144 A 8.51 3.75 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Q 7.94 3.85 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.91 0.00 0.00 0.00 0.00 0.00 2.63 2.29 0.00 146 Q 7.71 3.74 0.00 1.94 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.88 0.00 0.00 0.00 0.00 0.00 1.16 1.89 0.00 147 I 8.02 3.98 1.50 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 0.76 0.39 0.26 0.00 0.00 148 G 7.57 3.44 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.