NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.6050 8.2116 122.9728 47.4902 20.9666 175.4727 2 K 3.5412 8.0408 120.8305 54.9758 30.4378 174.0884 3 Q 3.9979 8.1341 124.5133 58.5175 29.6118 177.8036 4 S 4.1054 8.0531 114.8106 61.6345 62.7932 176.5279 5 M 4.0190 8.1791 122.3593 58.1159 31.6317 178.5733 6 K 3.8492 8.0795 117.5573 59.3040 32.4802 178.0836 7 A 4.0642 8.1095 121.4845 55.2199 18.1550 179.3266 8 R 3.8249 7.5730 116.1829 59.7302 30.2088 178.1386 9 E 4.1666 7.9010 117.9590 58.4764 29.5847 179.1682 10 V 3.5765 7.7928 118.8964 65.8268 31.5778 177.9724 11 K 4.0838 8.0074 118.5205 58.9251 31.8038 178.9860 12 R 4.5193 7.2838 119.5811 58.9865 30.3968 178.7787 13 V 3.7471 7.7496 116.5991 65.1222 31.4095 177.6282 14 A 4.1467 7.6467 119.5938 54.4897 18.1428 178.2880 15 L 4.7540 7.5240 115.3444 54.7397 42.2202 176.6187 16 A 5.0615 7.6937 120.8142 51.8019 19.1621 177.8411 17 D 5.0387 8.2907 118.5463 56.4649 46.1445 177.6529 18 K 4.1015 8.3801 117.9301 58.0713 32.3797 176.8245 19 Y 4.3756 7.8783 113.1275 59.5016 40.0213 176.9783 20 F 4.6517 8.2599 116.3090 57.8390 40.5339 176.7666 21 A 4.7444 7.7349 134.8206 52.2423 17.1504 182.2673 22 K 4.2722 9.0219 125.3969 60.3093 32.3536 178.3831 23 R 4.1312 7.8625 116.0409 57.3972 30.2907 177.0817 24 A 4.3260 7.5764 119.3330 53.6694 18.3156 177.7544 25 E 4.7118 7.7775 110.6512 55.4172 31.5962 177.2305 26 L 3.9431 8.1549 122.4537 58.3643 42.2398 178.2696 27 K 4.1719 8.0017 115.9448 58.4153 33.4546 178.7524 28 A 4.0075 7.7875 123.0955 55.5794 18.3358 179.8802 29 I 4.3544 7.6921 113.5481 63.2135 37.4693 176.9391 30 I 4.5187 7.5461 120.9189 61.0280 37.0686 177.1301 31 S 4.5086 8.5317 117.0525 57.8829 65.0584 173.9352 32 D 4.7589 7.7403 119.5195 51.3257 41.1373 176.4993 33 V 4.1295 7.9471 119.3312 62.4204 29.3247 172.6920 34 N 4.6275 8.1046 122.4906 53.9314 45.6430 174.5482 *40 R 4.7106 7.6391 114.3265 56.2043 31.1982 174.4355 41 W 4.2492 8.1242 124.6806 56.5628 33.3001 173.4796 42 N 4.3127 8.4652 125.2402 57.2428 38.7212 175.8710 43 A 4.2803 8.7189 122.4823 54.1526 19.0838 178.6512 44 V 3.8767 8.1040 115.9041 65.4030 31.9882 178.4023 45 L 4.3501 7.4344 118.2276 55.4249 41.0776 178.0477 46 K 4.4972 7.9125 118.6841 57.2055 34.8260 178.7971 47 L 3.9798 7.6409 119.9061 57.6186 42.1635 177.5407 48 Q 3.9883 8.2183 118.8466 59.3517 29.3589 177.4714 49 T 4.3209 7.2619 115.5946 62.4046 67.1829 174.1414 50 L 4.3565 7.6929 124.5815 56.2401 43.5146 175.6503 51 P 4.7411 0.0000 0.0000 62.8403 32.9603 175.8371 52 R 4.5003 7.3461 110.2526 54.9553 30.6945 174.9096 53 D 4.6359 7.1289 114.0797 54.0436 43.9875 176.2642 54 S 4.6459 7.7920 114.5237 57.2420 64.2796 173.3476 55 S 4.5483 8.0925 115.5328 56.9131 64.8013 176.4233 56 P 4.5133 0.0000 0.0000 62.9558 30.5644 177.1555 57 S 4.4590 9.0851 115.7471 60.9674 66.4509 175.8738 58 R 4.5114 8.0008 113.8624 56.3710 29.2722 175.5104 59 Q 4.8535 7.1612 118.3266 55.7758 32.1542 173.6110 60 R 4.3723 7.7232 116.8781 56.9142 32.5038 172.4204 61 N 4.5013 8.1165 109.4627 54.2238 38.8822 174.9665 62 R 3.7594 6.8686 119.2028 53.7655 29.5790 175.5015 63 C 4.2078 8.3483 119.1522 59.8725 31.2615 174.3155 64 R 4.2626 8.4616 125.8919 57.2515 30.0090 177.0192 65 Q 4.4173 8.0190 118.5054 56.4974 30.3803 174.9143 66 T 4.3277 8.4218 104.2889 63.3387 71.0759 173.6927 67 G 3.3351 7.6754 111.5881 43.9832 0.0000 173.1763 68 R 4.1364 7.9654 121.9984 55.0519 30.3603 174.8954 69 P 4.1080 0.0000 0.0000 65.3257 31.4501 176.3358 70 H 4.9233 7.0059 113.8949 53.4434 32.1102 172.2220 71 G 3.8469 8.8955 103.4853 46.4322 0.0000 171.3453 72 F 5.0430 7.7934 111.9771 55.3117 42.1438 174.3161 73 L 4.2102 7.6028 118.7328 52.5452 45.0384 178.6260 74 R 4.1254 7.9377 121.4185 58.9012 30.3033 178.6406 75 K 4.0942 7.9995 117.3958 58.1119 32.5896 176.5890 76 F 4.4539 8.2731 113.8080 59.4998 41.2634 176.4715 77 G 4.3136 9.4461 107.5552 45.1248 0.0000 172.3279 78 L 5.3217 7.7891 118.3961 52.5974 45.6718 175.7085 79 S 5.0754 8.5273 114.7444 56.9284 64.0050 175.8855 80 R 3.8232 8.5887 119.2638 59.4004 29.0818 178.4009 81 I 4.0045 7.7096 108.5222 61.6396 37.3795 176.0269 82 K 4.5135 8.5296 120.0698 56.1720 34.2349 178.5642 83 V 3.3751 7.6057 118.5568 65.6884 31.5078 177.5747 84 R 4.1142 8.0391 118.6440 59.5672 29.8161 177.9745 85 E 3.8874 8.2649 116.6583 58.6114 29.6030 177.4725 86 A 4.5227 7.3028 119.3076 53.6683 20.2100 178.6217 87 A 4.0971 8.8736 119.3564 55.2126 18.4789 178.9114 88 M 4.4576 7.9330 114.8759 55.7197 32.1327 176.7392 89 R 4.6034 7.8134 116.6577 56.0736 30.0436 175.8369 90 G 4.0940 8.5421 103.2016 47.6593 0.0000 175.0400 91 E 4.1236 7.8969 119.3287 57.3392 29.7938 176.8033 92 I 4.4385 7.4994 119.4294 58.3790 38.6957 173.6163 93 P 4.1361 0.0000 0.0000 63.8112 31.6286 174.5072 94 G 3.7057 7.6198 112.3910 44.6274 0.0000 176.0492 95 L 3.5926 6.9801 120.4459 55.6242 40.1369 175.7640 96 K 4.5767 7.7184 122.4836 55.2639 35.1742 176.9599 97 K 4.3189 8.3719 117.2028 55.6437 33.7383 175.6588 98 A 4.4273 7.7657 123.3254 51.6215 20.6299 177.6497 99 S 4.5946 7.5256 112.3227 56.8264 64.3966 175.7640 100 W 4.7425 7.6535 122.6512 56.7465 28.0776 174.7553 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 A 8.21 4.60 1.33 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 2 K 8.04 3.54 0.00 2.01 1.76 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.51 7.81 3 Q 8.13 4.00 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 4 S 8.05 4.11 0.00 4.03 4.12 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 5 M 8.18 4.02 0.00 2.02 2.29 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 2.60 2.67 0.00 6 K 8.08 3.85 0.00 1.72 1.97 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.48 7.81 7 A 8.11 4.06 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 8 R 7.57 3.82 0.00 1.75 2.09 0.00 3.24 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 9 E 7.90 4.17 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.59 0.00 10 V 7.79 3.58 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 0.99 0.00 0.00 0.97 0.00 0.00 11 K 8.01 4.08 0.00 1.87 1.79 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.55 7.81 12 R 7.28 4.52 0.00 1.93 1.95 0.00 3.15 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.65 0.00 13 V 7.75 3.75 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 1.07 0.00 0.00 1.02 0.00 0.00 14 A 7.65 4.15 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.52 4.75 0.00 1.62 1.61 0.83 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.69 5.06 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 17 D 8.29 5.04 0.00 2.86 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 18 K 8.38 4.10 0.00 1.99 1.90 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.56 7.81 19 Y 7.88 4.38 0.00 2.90 2.66 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 20 F 8.26 4.65 0.00 3.15 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 21 A 7.73 4.74 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 9.02 4.27 0.00 1.83 1.87 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.47 7.81 23 R 7.86 4.13 0.00 1.96 1.92 0.00 3.16 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 24 A 7.58 4.33 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.78 4.71 0.00 2.17 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 2.28 2.47 0.00 26 L 8.15 3.94 0.00 1.81 1.73 0.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.00 4.17 0.00 2.05 2.06 0.00 1.48 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.67 1.63 7.81 28 A 7.79 4.01 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 29 I 7.69 4.35 1.90 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 1.45 1.75 0.94 0.00 0.00 30 I 7.55 4.52 2.03 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 1.54 0.98 1.07 0.00 0.00 31 S 8.53 4.51 0.00 3.93 3.87 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 32 D 7.74 4.76 0.00 2.86 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 33 V 7.95 4.13 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 0.78 0.00 0.00 0.93 0.00 0.00 34 N 8.10 4.63 0.00 2.66 2.75 0.00 0.00 7.26 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *40 R 7.64 4.71 0.00 1.84 1.98 0.00 3.33 0.00 0.00 3.99 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 41 W 8.12 4.25 0.00 3.35 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 42 N 8.47 4.31 0.00 2.82 2.87 0.00 0.00 7.08 8.75 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 43 A 8.72 4.28 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 44 V 8.10 3.88 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.84 0.00 0.00 45 L 7.43 4.35 0.00 1.73 1.71 0.99 0.89 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 46 K 7.91 4.50 0.00 1.75 1.81 0.00 1.72 0.00 0.00 2.01 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.37 7.81 47 L 7.64 3.98 0.00 1.56 1.69 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.22 3.99 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.38 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 49 T 7.26 4.32 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 50 L 7.69 4.36 0.00 1.75 1.87 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.74 0.00 1.73 1.06 0.00 3.70 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.24 0.00 52 R 7.35 4.50 0.00 1.69 1.82 0.00 3.31 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 53 D 7.13 4.64 0.00 2.64 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 54 S 7.79 4.65 0.00 4.52 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 55 S 8.09 4.55 0.00 3.92 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 56 P 0.00 4.51 0.00 2.11 1.90 0.00 3.52 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.75 0.00 57 S 9.09 4.46 0.00 3.78 3.84 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 58 R 8.00 4.51 0.00 1.91 2.01 0.00 2.99 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 59 Q 7.16 4.85 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 60 R 7.72 4.37 0.00 1.66 1.65 0.00 3.14 0.00 0.00 3.32 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.53 0.00 61 N 8.12 4.50 0.00 2.07 2.76 0.00 0.00 5.91 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 62 R 6.87 3.76 0.00 1.84 2.00 0.00 3.47 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 63 C 8.35 4.21 0.00 2.96 2.99 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 64 R 8.46 4.26 0.00 1.93 1.98 0.00 3.24 0.00 0.00 3.43 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 65 Q 8.02 4.42 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 66 T 8.42 4.33 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 67 G 7.68 3.34 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 68 R 7.97 4.14 0.00 1.83 1.79 0.00 3.19 0.00 0.00 3.40 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.55 0.00 69 P 0.00 4.11 0.00 2.01 2.03 0.00 3.66 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 1.68 1.81 0.00 70 H 7.01 4.92 0.00 3.22 3.36 0.00 5.85 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 71 G 8.90 3.85 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 0.00 0.00 0.00 72 F 7.79 5.04 0.00 3.21 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.60 4.21 0.00 1.61 1.50 0.68 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.94 4.13 0.00 1.80 1.99 0.00 3.14 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.50 0.00 75 K 8.00 4.09 0.00 1.68 1.91 0.00 1.51 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.16 7.81 76 F 8.27 4.45 0.00 3.05 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 77 G 9.45 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 0.00 0.00 0.00 0.00 78 L 7.79 5.32 0.00 1.78 1.62 1.14 0.86 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 79 S 8.53 5.08 0.00 3.91 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 80 R 8.59 3.82 0.00 1.90 2.14 0.00 2.93 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 81 I 7.71 4.00 1.86 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 1.41 0.47 0.90 0.00 0.00 82 K 8.53 4.51 0.00 1.89 1.83 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.34 1.48 7.81 83 V 7.61 3.38 1.95 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 0.35 0.00 0.00 0.59 0.00 0.00 84 R 8.04 4.11 0.00 1.84 1.86 0.00 3.13 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 85 E 8.26 3.89 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 86 A 7.30 4.52 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 87 A 8.87 4.10 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 88 M 7.93 4.46 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.73 0.00 89 R 7.81 4.60 0.00 1.91 2.05 0.00 2.92 0.00 0.00 3.48 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 90 G 8.54 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 0.00 0.00 0.00 91 E 7.90 4.12 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 2.49 2.47 0.00 92 I 7.50 4.44 2.01 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.79 1.19 0.00 0.00 93 P 0.00 4.14 0.00 2.02 2.00 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 94 G 7.62 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 95 L 6.98 3.59 0.00 1.78 1.92 1.10 0.82 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 96 K 7.72 4.58 0.00 1.91 1.85 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.41 7.81 97 K 8.37 4.32 0.00 1.73 1.71 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.40 7.81 98 A 7.77 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.53 4.59 0.00 3.85 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 0.00 100 W 7.65 4.74 0.00 3.26 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.