NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3656 8.1576 121.7936 55.9266 33.2587 177.4954 4 V 4.5760 8.2343 114.4242 58.6437 34.0308 172.6403 5 C 4.4585 9.8085 125.8048 59.1043 32.4494 175.1786 6 E 3.9690 8.7658 128.1152 59.2436 28.6854 177.6173 7 I 4.0259 6.8984 118.7114 62.9053 37.9830 176.8659 8 S 4.0608 7.7941 120.6789 59.7078 63.6010 175.7265 9 G 4.3666 8.1987 107.5098 45.6674 0.0000 173.3046 10 K 4.3095 7.5638 118.7594 56.2146 32.9773 176.4150 11 R 5.4006 8.5744 119.3562 52.0553 33.0925 172.9733 12 P 5.0566 0.0000 0.0000 62.7134 31.7656 175.5395 13 I 4.5571 8.1463 116.0728 58.8751 40.8054 174.8205 14 V 4.2513 8.2368 123.0606 63.0887 32.3821 174.8882 15 A 4.7159 9.3264 126.9679 50.8657 22.9008 175.2540 16 N 5.1090 8.6289 116.9400 52.2442 40.9957 175.0926 17 S 4.5013 9.0662 115.7540 56.8164 64.6544 172.8883 18 I 4.4334 8.2270 128.8382 59.9669 38.1097 175.6038 19 Q 4.3756 8.9126 127.9246 55.3350 29.7912 175.6043 20 R 5.1377 8.5773 122.2189 54.5187 33.9297 175.1073 21 R 4.6142 9.2647 120.0685 55.2701 34.6998 174.0831 22 G 4.2679 8.7412 107.6231 43.4949 0.0000 173.4404 23 K 4.1728 8.3983 121.6486 54.5203 32.3929 176.1447 24 A 3.9904 8.5440 129.1531 52.4105 18.8922 178.0666 25 K 3.9724 8.5667 122.0038 59.0768 32.6000 178.2855 26 R 4.1175 8.0903 117.9838 58.4661 30.9819 176.3651 27 E 4.6604 6.8116 115.5593 56.5640 29.1572 177.6261 28 G 3.4257 7.5091 110.3486 47.0196 0.0000 177.5875 29 G 3.8187 8.7145 107.9856 46.0400 0.0000 172.5597 30 V 3.2898 9.3764 114.6336 61.3385 30.3175 175.0427 31 G 3.9147 8.0174 108.1214 45.1162 0.0000 172.7763 32 K 4.7204 8.4885 117.6402 54.5298 35.4813 176.0160 33 K 4.6650 8.9370 122.9615 54.9655 35.5732 175.4178 34 T 4.7636 8.2628 119.8020 62.4829 68.9504 174.7093 35 T 3.9898 8.7711 124.9224 65.6148 69.1872 175.6743 36 G 4.1766 7.4496 106.7100 45.9119 0.0000 172.2456 37 I 5.1536 8.3573 124.6184 59.8180 39.6677 175.1304 38 S 4.6700 8.2648 117.7279 57.0677 66.3502 174.5298 39 K 4.6582 8.8056 121.6116 56.8252 32.8956 176.0124 40 R 4.4952 7.7466 116.9249 56.0146 32.9195 173.1989 41 R 4.9234 8.5301 116.0168 54.4686 32.5435 174.8094 42 Q 4.4007 8.5266 120.4039 54.6445 30.6285 174.4989 43 Y 4.9168 8.3228 121.6896 56.1593 39.9076 173.6548 44 P 4.4706 0.0000 0.0000 61.9957 32.1869 176.4455 45 N 4.7929 8.7981 123.8207 53.7305 37.2530 171.9901 46 L 5.2432 8.0772 121.5602 53.4869 43.7227 175.9420 47 Q 4.7941 8.5839 119.6172 53.9947 32.8240 174.2773 48 K 4.9811 8.4953 118.8681 55.9196 33.8118 177.0829 49 V 4.4849 8.9023 123.1429 61.3945 34.4444 174.5393 50 R 4.8834 8.8173 127.2425 55.4388 31.3504 176.2874 51 V 4.1293 8.0013 121.4095 60.1947 34.1895 174.2522 52 R 3.5498 9.1327 117.6490 55.1295 29.5751 176.6488 53 V 2.8883 8.6657 112.2257 64.0139 32.8089 173.7938 54 A 3.6264 9.0574 129.0228 53.3181 18.0008 176.4510 55 G 3.8888 9.2079 103.2157 47.5310 0.0000 173.7691 56 Q 4.1598 7.8836 117.3926 55.5383 29.2578 175.8958 57 E 4.0746 8.3703 118.4706 56.8200 30.2730 177.2317 58 I 2.8145 6.9257 113.7407 61.3360 36.3785 172.0615 59 T 4.7609 7.9826 125.2520 60.3490 69.7878 173.0718 60 F 5.1216 9.3511 126.7069 56.3157 42.4563 174.9938 61 R 4.8681 9.2327 120.7090 54.4106 31.1296 173.8728 62 V 4.9494 8.7131 122.9555 58.6633 35.6649 175.6100 63 A 4.4659 8.5628 123.8783 52.1353 19.2337 178.7371 64 A 3.9992 9.2022 123.9077 55.4556 18.5329 180.6161 65 S 4.0886 8.0807 108.6568 61.3241 62.9051 174.9518 66 H 4.8463 8.0189 115.9375 55.2914 29.6445 175.6457 67 I 3.7447 8.2933 124.2952 63.7645 36.8118 176.2262 68 P 4.1210 0.0000 0.0000 66.1116 30.6658 178.1164 69 K 3.8674 7.3391 117.4211 58.4918 32.0358 178.5448 70 V 3.4392 8.2671 118.9176 66.4775 31.5588 177.6399 71 Y 3.8740 8.4069 115.7997 60.4745 37.5560 177.7189 72 E 3.9573 8.2217 120.7914 60.1017 29.4836 178.1704 73 L 4.0753 7.9321 118.1088 56.4473 41.5764 179.9424 74 V 3.5811 7.0777 120.2589 66.4189 32.9291 177.4337 75 E 4.0307 8.3795 120.0468 58.8225 29.6454 178.8685 76 R 4.6266 8.0969 118.8597 56.0779 29.3564 176.9282 77 A 4.6832 7.6247 118.6878 52.6001 21.2468 177.9702 78 K 4.1544 8.2694 114.9333 58.5816 32.4345 177.4238 79 G 4.0242 7.7791 107.8657 45.0045 0.0000 172.9917 80 L 4.5398 7.4573 118.5603 53.0379 45.4358 175.0813 81 K 4.2992 8.4803 124.7700 54.7644 31.8210 175.3021 82 L 4.7322 8.2671 126.0730 52.9562 43.8240 175.8623 83 E 4.4133 8.1292 123.6945 55.9871 32.9887 171.6756 84 G 4.0790 8.8212 113.5222 45.7165 0.0000 174.8175 85 L 4.4079 8.3519 123.7665 55.0650 39.0838 177.1700 86 S 4.9309 7.8944 119.4665 54.7752 64.2568 175.3464 87 P 4.1858 0.0000 0.0000 67.3000 30.6330 176.9857 88 K 3.8819 7.8815 118.6557 59.5051 32.0624 178.5804 89 E 4.0263 7.9537 118.3843 59.1353 29.2847 178.9228 90 I 3.7560 9.0674 119.2312 64.2820 37.4025 178.0810 91 K 4.0200 7.8637 119.8435 59.5183 31.8650 178.1971 92 K 3.8297 7.7841 118.2318 60.1381 32.1404 177.8495 93 E 4.2224 9.9453 115.1660 57.1449 29.8846 177.6124 94 L 4.4799 7.9634 120.4236 54.9377 41.9500 176.7406 95 L 3.4044 7.9310 119.3900 56.8763 41.9487 174.4881 *96 K 4.1330 7.9093 122.5780 55.5743 32.3453 180.7570 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 3 K 8.16 4.37 0.00 1.85 1.05 0.00 1.56 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.52 7.81 4 V 8.23 4.58 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 0.76 0.00 0.00 1.01 0.00 0.00 5 C 9.81 4.46 0.00 3.02 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 6 E 8.77 3.97 0.00 2.19 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 2.43 2.68 0.00 7 I 6.90 4.03 1.82 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.25 0.93 0.00 0.00 8 S 7.79 4.06 0.00 3.76 3.31 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 9 G 8.20 4.37 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 0.00 10 K 7.56 4.31 0.00 1.75 1.74 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.32 7.81 11 R 8.57 5.40 0.00 1.77 1.87 0.00 2.66 0.00 0.00 2.78 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.44 0.00 12 P 0.00 5.06 0.00 2.02 2.32 0.00 3.37 0.00 0.00 4.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 13 I 8.15 4.56 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.72 0.92 0.00 0.00 14 V 8.24 4.25 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 0.80 0.00 0.00 0.90 0.00 0.00 15 A 9.33 4.72 1.14 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 0.00 0.00 0.00 16 N 8.63 5.11 0.00 2.60 2.74 0.00 0.00 6.66 7.57 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 17 S 9.07 4.50 0.00 3.81 3.79 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 18 I 8.23 4.43 1.87 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 1.34 0.57 0.91 0.00 0.00 19 Q 8.91 4.38 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.74 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 20 R 8.58 5.14 0.00 1.64 1.78 0.00 3.15 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.77 0.00 21 R 9.26 4.61 0.00 1.71 1.74 0.00 3.10 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 22 G 8.74 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 0.00 0.00 0.00 0.00 23 K 8.40 4.17 0.00 1.72 1.74 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.42 7.81 24 A 8.54 3.99 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 25 K 8.57 3.97 0.00 1.73 1.84 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.42 7.81 26 R 8.09 4.12 0.00 1.80 1.97 0.00 3.23 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 27 E 6.81 4.66 0.00 1.91 1.25 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 2.22 2.20 0.00 28 G 7.51 3.43 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 0.00 29 G 8.71 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 30 V 9.38 3.29 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 0.68 0.00 0.00 0.93 0.00 0.00 31 G 8.02 3.91 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 0.00 0.00 0.00 32 K 8.49 4.72 0.00 1.60 1.68 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.42 7.81 33 K 8.94 4.67 0.00 1.64 1.67 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.52 7.81 34 T 8.26 4.76 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 1.30 0.00 0.00 35 T 8.77 3.99 4.35 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 1.21 0.00 0.00 36 G 7.45 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 0.00 0.00 0.00 37 I 8.36 5.15 1.87 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 1.39 0.66 0.90 0.00 0.00 38 S 8.26 4.67 0.00 3.80 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 39 K 8.81 4.66 0.00 1.63 1.77 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.48 7.81 40 R 7.75 4.50 0.00 1.81 1.95 0.00 2.75 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.56 0.00 41 R 8.53 4.92 0.00 1.37 1.73 0.00 3.11 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.08 0.00 42 Q 8.53 4.40 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 43 Y 8.32 4.92 0.00 2.89 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 44 P 0.00 4.47 0.00 2.09 2.02 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 45 N 8.80 4.79 0.00 2.83 2.76 0.00 0.00 6.71 6.66 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 46 L 8.08 5.24 0.00 1.87 1.66 1.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.58 4.79 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 48 K 8.50 4.98 0.00 1.64 1.76 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.51 7.81 49 V 8.90 4.48 2.35 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 1.24 0.00 0.00 1.07 0.00 0.00 50 R 8.82 4.88 0.00 1.76 1.83 0.00 3.25 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 51 V 8.00 4.13 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 0.71 0.00 0.00 0.65 0.00 0.00 52 R 9.13 3.55 0.00 1.92 1.94 0.00 3.16 0.00 0.00 3.15 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 53 V 8.67 2.89 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 0.75 0.00 0.00 0.92 0.00 0.00 54 A 9.06 3.63 1.16 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 55 G 9.21 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 0.00 0.00 0.00 56 Q 7.88 4.16 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 57 E 8.37 4.07 0.00 1.89 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 2.19 2.25 0.00 58 I 6.93 2.81 1.71 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.60 0.81 0.00 0.00 59 T 7.98 4.76 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 1.14 0.00 0.00 60 F 9.35 5.12 0.00 3.04 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 61 R 9.23 4.87 0.00 1.88 1.81 0.00 3.23 0.00 0.00 3.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 62 V 8.71 4.95 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 0.69 0.00 0.00 0.93 0.00 0.00 63 A 8.56 4.47 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 64 A 9.20 4.00 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 65 S 8.08 4.09 0.00 4.06 4.10 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 66 H 8.02 4.85 0.00 3.22 3.27 0.00 5.82 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.29 3.74 1.85 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 1.61 1.02 0.98 0.00 0.00 68 P 0.00 4.12 0.00 2.21 2.26 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 69 K 7.34 3.87 0.00 1.82 1.99 0.00 1.66 0.00 0.00 1.58 0.00 0.00 3.13 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.48 7.81 70 V 8.27 3.44 2.44 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 0.89 0.00 0.00 0.57 0.00 0.00 71 Y 8.41 3.87 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 72 E 8.22 3.96 0.00 2.17 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 0.00 2.32 2.50 0.00 73 L 7.93 4.08 0.00 1.73 1.62 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.08 3.58 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 0.76 0.00 0.00 0.95 0.00 0.00 75 E 8.38 4.03 0.00 2.34 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 2.33 2.38 0.00 76 R 8.10 4.63 0.00 1.97 2.01 0.00 3.07 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.77 0.00 77 A 7.62 4.68 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 78 K 8.27 4.15 0.00 1.78 1.89 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.72 7.81 79 G 7.78 4.02 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 0.00 80 L 7.46 4.54 0.00 1.72 1.50 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.48 4.30 0.00 1.74 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.61 1.43 7.81 82 L 8.27 4.73 0.00 1.62 1.54 0.92 0.97 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 83 E 8.13 4.41 0.00 1.86 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 2.20 2.35 0.00 84 G 8.82 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 0.00 0.00 0.00 85 L 8.35 4.41 0.00 1.63 1.65 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 86 S 7.89 4.93 0.00 3.91 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 0.00 87 P 0.00 4.19 0.00 2.22 2.34 0.00 3.75 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 2.04 2.02 0.00 88 K 7.88 3.88 0.00 1.78 1.81 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.45 7.81 89 E 7.95 4.03 0.00 2.13 1.97 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 2.39 2.38 0.00 90 I 9.07 3.76 1.98 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 1.52 0.71 0.89 0.00 0.00 91 K 7.86 4.02 0.00 1.82 1.91 0.00 1.39 0.00 0.00 1.46 0.00 0.00 2.88 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.40 1.09 7.81 92 K 7.78 3.83 0.00 1.78 2.00 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.61 7.81 93 E 9.95 4.22 0.00 2.04 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 2.48 2.49 0.00 94 L 7.96 4.48 0.00 1.91 1.80 1.07 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.93 3.40 0.00 1.73 1.74 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 *96 K 7.91 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.