NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.5999 8.0549 120.3467 62.4808 32.4109 175.0290 2 E 4.1902 7.9480 124.9221 53.5419 29.9051 174.4994 3 W 4.6487 8.2085 124.8312 56.6574 30.9973 177.1068 4 T 4.4395 9.4307 113.9530 61.1590 70.8658 175.8510 5 D 4.4178 8.6083 121.6845 57.4630 40.7684 178.9996 6 K 4.0008 8.0705 119.7351 59.4672 32.2301 178.5891 7 E 4.0537 8.3921 118.9655 59.5138 29.4093 179.4841 8 R 3.7216 8.0513 118.1361 59.2484 30.0178 179.1284 9 S 4.0762 8.2103 112.8961 61.2644 62.3196 176.2278 10 I 3.7139 8.0154 122.7266 64.5880 36.9157 178.5353 11 I 3.8313 7.8761 120.6338 64.3203 36.8442 178.4749 12 S 4.0506 8.1976 114.1086 61.3175 62.3204 175.6659 13 D 4.3511 8.4135 120.9677 57.4433 40.8547 178.0517 14 I 3.6633 7.9823 120.3629 64.7710 36.9699 178.5591 15 F 4.1596 8.1444 117.0056 60.3228 38.7636 177.6130 16 S 4.3364 8.2015 113.1749 60.5948 63.0466 175.1483 17 H 4.6650 7.7516 116.8878 54.6640 29.3986 174.1353 18 M 4.1574 7.1763 120.3124 54.7497 33.0376 175.7758 19 D 4.6476 8.4101 124.9415 53.2009 41.8881 176.4491 20 Y 4.3203 8.4837 126.3800 61.3202 37.7481 178.2520 21 D 4.4230 8.1547 118.3629 56.2831 40.6809 177.4221 22 D 4.6147 7.8913 117.8597 56.4749 41.9999 178.2545 23 I 3.8554 8.1417 120.8635 64.0443 37.0824 178.5367 24 G 3.6192 8.3881 106.9544 47.6062 0.0000 173.9941 25 P 4.2473 0.0000 0.0000 64.7352 31.2911 178.9654 26 K 3.8955 7.7299 116.0099 59.3372 31.9023 179.2480 27 A 3.9252 8.0935 121.1100 55.0631 18.2328 179.5209 28 L 3.8110 7.7831 118.7615 58.4414 41.6954 179.3771 29 S 4.0092 8.3075 115.5056 61.3351 62.5948 176.6845 30 R 3.8055 8.1628 121.7905 59.4431 29.7961 178.0468 31 C 4.0939 8.2501 118.7072 62.6524 31.5853 175.6628 32 L 4.0021 8.1108 121.8553 56.7897 40.8677 179.2714 33 I 3.8418 7.2348 118.6153 63.5936 37.4884 177.9756 34 V 3.5243 7.5863 118.4301 64.3067 32.7796 175.7735 35 Y 3.6150 7.3600 115.8487 53.9192 37.9921 174.0909 36 P 4.9456 0.0000 0.0000 64.1245 31.7374 178.0444 37 W 4.4672 7.6292 116.4351 58.7956 27.8400 177.3562 38 T 4.3330 7.8326 110.8407 63.6762 68.4668 176.5044 39 Q 4.1547 8.0582 122.0847 58.9241 28.4355 178.3494 40 R 3.9279 7.6894 115.9199 59.9776 28.8417 178.1931 41 H 3.9652 7.8156 114.4209 56.9421 28.7529 175.9269 42 F 4.7271 8.0424 118.1738 57.1991 39.4151 175.5385 43 S 4.6843 7.3585 114.6693 58.8591 63.0213 175.0353 44 G 3.8603 8.2298 107.8255 46.6463 0.0000 174.0999 *50 N 4.4946 7.9314 117.0806 52.0872 39.6344 174.7268 51 A 3.9181 8.2955 120.9498 55.3947 18.1560 179.0765 52 E 3.8058 8.2164 116.8421 59.4588 29.4480 178.5334 53 A 3.9820 8.8555 119.8244 55.3697 18.8394 179.3365 54 I 3.7817 7.9718 118.2857 64.7763 37.0148 178.7595 55 I 3.8512 7.3580 120.8320 63.0202 36.9864 177.7072 56 G 4.0686 7.5141 103.5621 43.2871 0.0000 173.1742 57 N 4.3268 7.5991 120.9119 53.3585 39.2888 175.4258 58 A 4.0385 8.7235 128.3361 55.2201 18.4609 178.9573 59 N 4.3413 8.2750 114.8399 56.4191 38.7738 177.5693 60 V 3.2114 8.3820 119.6507 65.8087 31.6143 177.8961 61 A 3.9381 8.1536 120.3089 55.0194 18.2382 179.3835 62 A 3.9612 8.2070 119.3997 55.7881 18.5271 179.4551 63 H 4.3408 8.3658 116.8273 59.2019 29.7916 177.6105 64 G 3.6635 8.1246 107.7395 47.8662 0.0000 175.7811 65 I 3.8396 7.8974 122.0498 64.0104 37.0885 178.5814 66 K 4.0463 8.1344 119.4529 59.3821 31.9827 179.3221 67 V 3.5990 8.1517 118.8553 66.2039 31.1922 178.1412 68 L 3.8938 7.3313 117.1896 58.1204 41.5351 179.0039 69 H 4.6399 8.4087 116.3438 58.7241 28.3714 178.0927 70 G 3.7688 8.5971 108.1938 47.7915 0.0000 175.7430 71 L 4.4038 7.9314 122.1595 56.8868 41.5621 178.8428 72 D 4.2034 7.9131 118.8137 57.1953 40.9979 178.4665 73 R 4.0080 7.8512 116.3195 58.8013 29.1958 179.1697 74 G 3.8146 8.0429 105.8326 47.7579 0.0000 175.4632 75 V 3.2697 7.4728 119.7438 65.5014 31.4676 177.9874 76 K 4.2590 8.0917 118.0183 57.8336 33.0857 176.8795 77 N 4.9161 7.7969 116.6462 50.6658 37.0445 174.6139 78 M 4.2152 8.2617 125.4637 58.3454 32.4402 176.9294 79 D 5.0426 8.0710 116.7390 54.1938 41.6909 175.6225 80 N 5.1492 8.3526 118.9253 52.7382 39.9835 176.8304 81 I 3.8357 8.2949 119.0465 64.2378 37.2330 177.3922 82 A 4.0452 8.0501 119.5321 55.2091 18.4059 179.0625 83 A 4.0842 7.9590 118.7481 55.5986 18.3183 179.7370 84 T 3.6699 7.8003 113.3192 66.3327 68.6906 175.3981 85 Y 4.4682 7.6698 115.8335 57.5630 38.2469 177.1772 86 A 3.9979 7.6779 124.1041 55.5557 18.5260 179.9284 87 D 4.3116 8.0030 116.6393 57.6104 40.9993 178.9473 88 L 4.1394 7.9407 118.9335 57.5596 41.6405 179.4226 89 S 3.9852 8.4429 113.7101 61.7152 62.2993 176.3032 90 T 3.8990 7.8403 118.2917 66.4331 68.1705 176.1556 91 L 3.9347 8.0132 122.1596 58.7794 42.1252 178.8008 92 H 4.1888 8.4030 116.2020 58.7051 28.6940 177.9153 93 S 4.2299 8.3081 116.0015 61.2761 63.1023 176.3609 94 E 3.9255 8.3488 122.4040 58.3088 29.4307 178.4913 95 K 4.2312 7.9449 115.7981 57.2742 33.0128 177.5673 96 L 4.3307 7.7370 115.9791 54.1174 42.6227 175.7901 97 H 4.1929 7.6499 114.5776 56.5393 26.7660 175.0296 98 V 3.7627 8.0560 119.0094 61.9945 32.2986 175.0874 99 D 4.4879 8.5924 127.1093 53.4297 41.6255 175.1945 100 P 4.5885 0.0000 0.0000 65.8313 31.0525 178.1435 101 D 4.4361 8.7680 118.3284 57.0618 41.0154 177.7187 102 N 4.2002 8.0563 117.2116 56.1025 38.3307 177.2204 103 F 4.1694 7.2187 118.0703 60.2418 38.9550 177.6070 104 K 3.9636 8.0118 118.9211 59.2924 32.0829 178.6745 105 L 3.6856 7.4407 119.2845 57.7241 41.4123 179.3205 106 L 3.9929 7.9810 120.2106 58.1073 42.0099 178.8258 107 S 4.1026 8.2999 113.2095 61.6448 62.3522 175.9299 108 D 4.4851 8.3228 121.4833 57.6381 40.4527 178.6561 109 C 4.2490 8.0201 116.9796 62.6120 28.0214 176.1470 110 I 3.7181 8.1248 121.7454 64.7485 36.6741 178.5042 111 T 4.0531 8.1992 116.5028 66.9442 68.3740 176.7909 112 I 3.6259 7.8859 121.6247 64.2209 37.0701 178.7477 113 V 3.4947 7.9639 119.4020 65.6532 31.3594 177.8468 114 L 3.6085 7.9513 120.2116 57.8980 41.7386 178.6910 115 A 3.0655 7.4239 120.5879 54.8931 17.9795 179.5058 116 A 3.8055 7.3357 118.0495 54.8881 18.4624 179.6451 117 K 3.9413 7.4979 117.2845 60.0537 32.8226 178.9204 118 M 4.1733 8.5968 118.7419 55.9969 32.2496 177.8530 119 G 3.7020 8.7049 108.8727 46.8642 0.0000 176.3421 120 H 4.3107 8.7971 120.0379 57.5604 28.6922 176.1130 121 A 4.1236 7.7819 121.7790 54.1476 18.7708 178.1109 122 F 4.5067 7.9351 120.7403 57.0884 37.8323 174.9429 123 T 4.1424 7.3190 115.7542 60.7514 71.3120 175.0995 124 A 3.8807 8.3869 122.3780 55.4516 18.3763 179.4461 125 E 3.9090 8.0393 117.1481 59.5541 29.6409 179.0976 126 T 3.7845 7.4441 115.7844 66.4834 68.4918 176.4634 127 Q 3.5471 7.7843 121.9585 58.8925 29.0389 178.4852 128 G 3.6829 8.4033 106.8928 47.8842 0.0000 175.5219 129 A 4.2229 8.0113 123.2894 54.7243 18.4469 179.5181 130 F 4.3288 8.6468 119.4271 61.8302 39.5206 177.4471 131 Q 4.0590 8.8651 118.1380 58.7445 28.5866 178.7379 132 K 3.9949 8.3910 120.8531 59.3777 32.4033 178.6705 133 F 4.5063 8.6339 120.9757 61.5318 39.3257 177.1466 134 L 3.5997 7.9905 118.3389 57.3771 41.2156 179.2880 135 A 3.9106 8.1389 121.0344 55.2187 18.4546 179.8548 136 V 3.4316 7.5614 116.2841 66.0159 31.4905 178.4663 137 V 3.0995 7.1734 117.6016 65.7235 31.1913 178.1279 138 V 3.3436 7.8305 118.3886 66.0339 31.2369 178.1405 139 S 4.0451 8.2756 114.9666 61.5553 62.1722 176.6235 140 A 3.9294 7.7135 123.0564 54.9869 17.8821 179.7754 141 L 3.6948 7.5839 116.9200 57.6149 41.7207 179.4598 142 G 3.7297 7.8980 102.8722 44.2480 0.0000 173.1848 143 K 3.7928 7.2421 118.3131 57.5438 29.7529 175.7506 144 Q 3.8834 8.0849 117.0948 55.6618 29.7959 176.5089 145 Y 4.5669 7.6844 119.2053 58.2468 38.6394 175.6378 146 H 4.4407 8.6947 120.9114 56.4139 29.8258 173.3620 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 1 V 8.05 3.60 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 -0.57 0.00 0.00 0.52 0.00 0.00 2 E 7.95 4.19 0.00 1.92 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 2.16 2.42 0.00 3 W 8.21 4.65 0.00 3.35 3.17 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 0.00 0.00 0.00 0.00 4 T 9.43 4.44 4.30 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 1.30 0.00 0.00 5 D 8.61 4.42 0.00 2.78 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.07 4.00 0.00 1.85 1.85 0.00 1.74 0.00 0.00 2.10 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.56 7.81 7 E 8.39 4.05 0.00 2.53 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 2.53 2.50 0.00 8 R 8.05 3.72 0.00 2.02 1.90 0.00 3.16 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.87 0.00 9 S 8.21 4.08 0.00 3.91 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 10 I 8.02 3.71 2.05 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 1.54 0.64 0.96 0.00 0.00 11 I 7.88 3.83 1.63 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 1.43 0.78 0.34 0.00 0.00 12 S 8.20 4.05 0.00 3.89 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 13 D 8.41 4.35 0.00 2.90 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 14 I 7.98 3.66 2.09 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.15 0.52 0.00 0.00 15 F 8.14 4.16 0.00 3.19 3.27 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 16 S 8.20 4.34 0.00 3.99 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 17 H 7.75 4.67 0.00 3.11 3.34 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 M 7.18 4.16 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 19 D 8.41 4.65 0.00 2.81 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 20 Y 8.48 4.32 0.00 2.89 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 21 D 8.15 4.42 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.89 4.61 0.00 2.78 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 23 I 8.14 3.86 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.62 0.83 0.00 0.00 24 G 8.39 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.25 0.00 2.14 2.08 0.00 3.72 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 26 K 7.73 3.90 0.00 2.03 1.80 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.42 7.81 27 A 8.09 3.93 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 28 L 7.78 3.81 0.00 1.70 1.52 0.82 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.31 4.01 0.00 3.82 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 30 R 8.16 3.81 0.00 1.88 2.06 0.00 3.05 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 31 C 8.25 4.09 0.00 3.13 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 32 L 8.11 4.00 0.00 1.89 1.65 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.23 3.84 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 1.35 0.42 0.82 0.00 0.00 34 V 7.59 3.52 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.73 0.00 0.00 35 Y 7.36 3.61 0.00 2.53 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.95 0.00 2.28 2.31 0.00 3.47 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 2.19 1.88 0.00 37 W 7.63 4.47 0.00 3.59 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.83 4.33 4.31 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 1.10 0.00 0.00 39 Q 8.06 4.15 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 40 R 7.69 3.93 0.00 1.99 2.21 0.00 2.71 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.28 0.00 41 H 7.82 3.97 0.00 2.46 2.65 0.00 5.61 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 42 F 8.04 4.73 0.00 3.04 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 43 S 7.36 4.68 0.00 4.07 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.23 3.86 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 0.00 0.00 0.00 *50 N 7.93 4.49 0.00 2.94 3.03 0.00 0.00 6.09 7.58 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 51 A 8.30 3.92 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 52 E 8.22 3.81 0.00 2.03 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 2.37 2.38 0.00 53 A 8.86 3.98 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.97 3.78 2.01 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 1.52 1.26 0.85 0.00 0.00 55 I 7.36 3.85 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.22 0.88 0.00 0.00 56 G 7.51 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.60 4.33 0.00 2.95 2.84 0.00 0.00 7.00 7.31 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 58 A 8.72 4.04 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 59 N 8.27 4.34 0.00 3.03 3.02 0.00 0.00 6.80 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.38 3.21 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 0.81 0.00 0.00 0.84 0.00 0.00 61 A 8.15 3.94 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 62 A 8.21 3.96 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 63 H 8.37 4.34 0.00 3.49 3.34 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.12 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 65 I 7.90 3.84 2.08 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 1.77 0.70 1.13 0.00 0.00 66 K 8.13 4.05 0.00 2.02 1.92 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.69 7.81 67 V 8.15 3.60 2.22 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 1.05 0.00 0.00 0.89 0.00 0.00 68 L 7.33 3.89 0.00 1.46 0.59 0.86 1.01 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 69 H 8.41 4.64 0.00 3.31 3.47 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.60 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.93 4.40 0.00 2.12 1.99 1.14 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.91 4.20 0.00 3.00 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 73 R 7.85 4.01 0.00 2.06 2.14 0.00 2.29 0.00 0.00 2.95 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.28 0.00 74 G 8.04 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.47 3.27 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 0.53 0.00 0.00 -0.53 0.00 0.00 76 K 8.09 4.26 0.00 1.93 1.82 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.57 7.81 77 N 7.80 4.92 0.00 2.77 2.88 0.00 0.00 6.96 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 78 M 8.26 4.22 0.00 1.35 1.89 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.14 0.00 79 D 8.07 5.04 0.00 2.74 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 80 N 8.35 5.15 0.00 2.75 2.69 0.00 0.00 7.19 7.82 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 81 I 8.29 3.84 2.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.09 1.03 0.00 0.00 82 A 8.05 4.05 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 83 A 7.96 4.08 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 84 T 7.80 3.67 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 0.46 0.00 0.00 85 Y 7.67 4.47 0.00 3.07 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 86 A 7.68 4.00 1.38 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 87 D 8.00 4.31 0.00 2.69 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 88 L 7.94 4.14 0.00 1.96 1.83 1.12 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.44 3.99 0.00 3.98 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 7.84 3.90 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 91 L 8.01 3.93 0.00 1.80 1.92 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.40 4.19 0.00 3.48 3.66 0.00 5.86 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.31 4.23 0.00 4.12 4.18 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 94 E 8.35 3.93 0.00 2.13 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 0.00 2.36 2.38 0.00 95 K 7.94 4.23 0.00 1.88 1.81 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 96 L 7.74 4.33 0.00 1.76 1.61 0.71 1.00 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 97 H 7.65 4.19 0.00 3.37 3.40 0.00 5.65 0.00 0.00 0.00 0.00 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.06 3.76 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.76 0.00 0.00 99 D 8.59 4.49 0.00 2.81 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 0.00 100 P 0.00 4.59 0.00 2.36 2.41 0.00 3.77 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 2.08 2.04 0.00 101 D 8.77 4.44 0.00 2.80 2.77 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 0.00 0.00 0.00 102 N 8.06 4.20 0.00 2.36 2.57 0.00 0.00 6.86 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 0.00 103 F 7.22 4.17 0.00 3.13 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.01 3.96 0.00 1.87 1.92 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.45 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.56 7.81 105 L 7.44 3.69 0.00 1.54 0.78 0.77 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.98 3.99 0.00 1.75 1.82 0.94 0.81 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 0.00 107 S 8.30 4.10 0.00 3.96 4.09 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 0.00 108 D 8.32 4.49 0.00 3.00 2.82 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 0.00 109 C 8.02 4.25 0.00 3.16 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.12 3.72 2.16 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.96 1.13 0.00 0.00 111 T 8.20 4.05 4.57 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 1.50 0.00 0.00 112 I 7.89 3.63 1.93 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 1.01 0.87 0.00 0.00 113 V 7.96 3.49 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 0.91 0.00 0.00 0.92 0.00 0.00 114 L 7.95 3.61 0.00 1.43 1.11 0.60 0.19 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 0.00 115 A 7.42 3.07 1.02 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 0.00 0.00 116 A 7.34 3.81 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 0.00 117 K 7.50 3.94 0.00 1.67 1.84 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.55 7.81 118 M 8.60 4.17 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 119 G 8.70 3.70 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 0.00 0.00 0.00 120 H 8.80 4.31 0.00 3.19 3.40 0.00 5.71 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 0.00 121 A 7.78 4.12 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 F 7.94 4.51 0.00 2.84 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 0.00 123 T 7.32 4.14 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 0.00 124 A 8.39 3.88 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 0.00 125 E 8.04 3.91 0.00 2.03 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 2.37 2.41 0.00 126 T 7.44 3.78 4.04 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 1.09 0.00 0.00 127 Q 7.78 3.55 0.00 1.40 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 128 G 8.40 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 0.00 0.00 0.00 129 A 8.01 4.22 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 F 8.65 4.33 0.00 3.28 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 0.00 131 Q 8.87 4.06 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.78 0.00 132 K 8.39 3.99 0.00 2.09 2.24 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.42 1.42 7.81 133 F 8.63 4.51 0.00 3.14 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 7.99 3.60 0.00 1.58 1.54 0.73 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.14 3.91 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 0.00 136 V 7.56 3.43 2.22 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 1.03 0.00 0.00 1.01 0.00 0.00 137 V 7.17 3.10 1.64 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 0.08 0.00 0.00 0.05 0.00 0.00 138 V 7.83 3.34 2.18 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 1.08 0.00 0.00 0.95 0.00 0.00 139 S 8.28 4.05 0.00 3.96 3.89 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 0.00 140 A 7.71 3.93 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 0.00 141 L 7.58 3.69 0.00 0.80 0.13 0.37 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.90 3.73 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 0.00 0.00 0.00 143 K 7.24 3.79 0.00 1.88 1.84 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.50 7.81 144 Q 8.08 3.88 0.00 2.08 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.84 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 145 Y 7.68 4.57 0.00 2.93 2.81 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 0.00 0.00 0.00 146 H 8.69 4.44 0.00 3.08 3.13 0.00 5.93 0.00 0.00 0.00 0.00 6.91 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.