NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 5.4922 8.4481 120.3010 54.9207 43.0624 173.8152 2 S 4.4802 8.2989 113.9888 56.4406 66.1855 168.0541 3 V 4.6295 8.6613 121.8481 61.6294 33.9298 174.7186 4 T 4.8356 8.7208 124.0245 60.8094 68.7179 173.4711 5 Q 5.1153 8.4010 125.4655 54.7209 32.2193 174.1239 6 T 3.4784 9.5883 114.2755 62.2471 67.6012 174.0014 7 G 4.1223 7.5675 112.1454 42.3539 0.0000 174.5146 8 G 4.0364 8.5981 104.8063 47.0065 0.0000 171.4215 9 Q 5.2066 8.0169 121.0844 53.4514 32.0009 174.0493 10 V 4.6523 9.0088 125.1781 60.9842 35.3228 173.8464 11 A 5.2594 8.5604 126.6098 50.2672 21.5845 175.1477 12 L 4.8980 9.0407 121.4777 53.1242 46.7849 175.8282 13 S 5.0290 9.1034 116.2622 56.8473 65.3621 174.1731 14 E 4.3692 7.9411 120.4124 58.0808 29.5811 178.0114 15 E 3.8951 9.1865 120.5932 56.7019 28.7220 174.5944 16 D 4.7086 7.6963 118.9024 54.0322 42.7874 174.6512 17 F 4.9812 8.4463 121.8684 55.9340 40.5125 174.8563 18 L 4.1128 7.3916 129.1669 55.1136 43.4669 176.1201 19 T 4.5279 8.0058 121.9158 62.8452 72.2021 173.0550 20 I 4.3821 8.5056 128.8499 59.4643 39.9329 175.2483 21 H 5.0117 8.7257 124.6660 56.1668 30.4253 175.3145 22 C 5.3369 9.1002 121.1757 55.8483 47.8919 172.2340 23 N 5.8719 9.6590 123.7570 51.6245 41.9809 172.9421 24 Y 5.2372 8.3056 118.6074 55.4709 42.3786 174.4113 25 S 4.5712 9.4082 114.9943 56.2764 63.8091 172.2799 26 A 5.3648 8.4162 126.1420 49.1858 21.4607 176.0202 27 S 4.5131 8.8215 114.1319 59.5290 64.3391 175.6036 28 G 4.3892 7.8321 109.6462 45.3401 0.0000 173.7807 29 Y 4.5722 8.7577 123.1836 55.2005 38.6835 173.7172 30 P 4.8096 0.0000 0.0000 61.7537 33.2746 175.4255 31 A 4.4027 8.7662 123.1536 51.0429 20.5561 176.3517 32 L 4.1678 7.7547 120.0165 52.7577 45.4072 175.8586 33 F 5.5784 8.3975 119.5406 55.8916 44.5802 173.0452 34 W 5.5112 8.2903 117.3838 55.7275 33.3886 174.2750 35 Y 5.1026 9.5268 120.4520 56.2101 42.2619 174.4378 36 V 4.3870 8.9596 120.3993 61.2045 35.3418 174.2586 37 Q 4.8762 8.2828 128.1432 54.0124 30.1274 174.1038 38 Y 4.3616 8.0444 122.3139 56.3443 39.7723 173.4265 39 P 4.2992 0.0000 0.0000 64.6650 31.6506 177.0579 40 G 3.9157 9.0651 110.5744 45.6451 0.0000 172.0058 41 E 4.7759 7.8844 118.4916 54.2959 32.6356 175.1246 42 G 4.1329 8.1920 105.9969 44.3970 0.0000 171.9548 43 P 4.9781 0.0000 0.0000 63.0993 32.4178 175.5975 44 Q 4.9047 9.0357 117.2523 54.8007 32.0127 173.8095 45 F 3.1094 9.2089 123.8674 59.1364 39.5858 173.1835 46 L 4.5356 6.1672 124.0879 54.9597 43.1747 176.1733 47 F 4.7454 5.7981 110.7823 56.3775 40.4951 172.4440 48 R 5.4965 8.8842 116.5583 55.5358 32.8944 174.3460 49 A 4.5787 8.1275 116.6285 52.3349 22.2227 177.7146 50 S 4.4140 9.4035 119.5369 59.5241 63.9410 174.7159 51 R 4.0775 7.5759 115.4275 53.8604 31.8410 173.6037 52 D 4.0981 7.8938 118.8279 56.3185 41.3753 177.0836 53 K 4.3069 9.4009 125.7096 56.2338 31.8427 176.6668 54 E 4.1808 8.3167 120.5343 56.1138 30.7007 175.4238 55 K 5.0762 8.7622 126.8133 54.5956 34.8199 175.1169 56 G 4.1665 8.9056 114.2145 44.4375 0.0000 172.1048 57 S 4.7781 7.8196 115.7708 56.1510 66.8863 173.2090 58 S 5.0203 9.4950 116.0891 59.6736 65.9735 177.3072 59 R 3.9122 8.2169 126.3241 57.3022 27.6472 178.0182 *61 G 3.8733 7.9588 105.0239 45.1006 0.0000 173.7241 62 F 4.7579 8.2638 119.9007 57.0498 40.6801 174.7225 63 E 4.8206 9.0406 118.5797 55.4770 33.3408 173.7641 64 A 4.9300 8.2411 121.4503 51.4323 23.1708 175.1595 65 T 5.0515 8.3537 118.4796 61.6265 70.7979 173.5615 66 Y 4.1714 9.6540 128.7678 58.5754 40.1299 174.4020 67 N 5.4399 9.4035 127.5545 51.4368 39.3714 174.7190 68 K 4.3728 10.1603 127.0907 58.3916 32.8961 178.1273 69 E 4.0006 8.6231 118.7126 58.7846 29.6392 177.2537 70 A 4.5053 8.6544 119.2038 51.5662 19.8965 177.0103 71 T 3.2889 7.2932 107.3525 64.0324 67.7350 171.2872 72 S 5.3761 8.2140 116.3876 56.9301 67.0837 175.3543 73 F 5.6099 8.6005 122.2368 57.2429 38.4719 174.8330 74 H 4.6295 8.3102 116.5145 56.3527 30.1030 175.7670 75 L 4.0725 8.6595 126.4566 54.6925 43.1394 175.5879 76 Q 4.8172 9.1518 124.5480 54.0229 33.2213 174.0571 77 K 4.1588 7.7369 122.5750 55.4100 35.6328 175.3369 78 A 3.6679 8.7658 122.6408 55.5648 17.9507 177.6932 79 S 5.5648 8.2044 109.0903 54.1850 66.4373 176.3305 80 V 3.9856 8.4062 117.7906 61.3759 32.4041 174.9814 81 Q 4.8614 10.0127 122.5679 53.8010 31.2010 176.4566 82 E 4.2736 9.1319 123.6304 59.5708 29.6979 178.8364 83 S 4.5687 7.9832 110.0700 59.0990 63.5087 174.4386 84 D 4.8015 9.3824 121.5417 56.4409 40.9509 176.1613 85 S 4.7145 7.8053 114.0460 59.1740 63.4217 173.5675 86 A 4.2409 8.3606 125.1013 51.4725 22.7655 174.0546 87 V 4.4099 7.5964 118.2599 61.8268 33.3942 174.2451 88 Y 4.8404 9.0357 126.3596 56.7478 39.9089 174.1048 89 Y 4.9693 8.9868 122.3562 56.4986 40.5727 174.0357 90 C 4.0359 8.7960 123.6452 54.9496 45.9195 172.0846 91 A 4.7494 8.0144 124.7668 51.2379 23.1119 174.5013 92 L 5.3820 8.7896 118.7573 54.2277 44.9563 175.3117 93 S 4.7636 7.9415 112.3400 57.3421 66.1574 173.6707 *98 E 4.0155 8.7150 122.8259 56.3078 30.2101 174.7448 99 N 4.7429 7.9402 114.2763 53.4308 37.3160 175.4686 100 Y 4.5201 7.3920 115.0634 58.8333 38.3474 176.5004 101 G 4.0710 8.2215 108.4591 45.4664 0.0000 174.7150 101A N 4.2065 8.0670 116.5690 56.2649 38.5667 175.7754 102 E 3.8457 8.3342 113.1956 56.5844 26.5934 174.1059 103 K 4.1958 7.9051 118.8501 55.7644 32.3045 176.2746 104 I 4.4031 8.2128 125.7888 60.3541 38.1049 175.6215 105 T 4.5078 8.5944 124.7225 62.6326 70.2248 174.2330 106 F 5.0094 8.8260 122.5529 55.9012 42.8726 174.3802 107 G 4.2640 8.5304 107.5699 44.1336 0.0000 173.6724 108 A 4.1915 8.7027 121.6810 53.3505 18.6260 179.3332 109 G 3.5189 9.1513 99.3294 45.7601 0.0000 172.7583 110 T 4.7044 8.0551 115.0816 61.4992 72.9140 173.1790 111 K 4.4772 9.5097 129.0652 55.7838 33.8133 174.9706 112 L 5.0879 8.9867 130.2016 53.3088 44.5941 174.5605 113 Q 4.7013 9.0309 127.5329 54.3958 31.6479 174.1292 114 V 4.5846 8.8942 128.2442 61.3461 32.7306 175.7070 115 V 3.9545 9.2616 130.3242 61.9443 32.8156 174.3958 116 P 4.4464 0.0000 0.0000 63.0853 31.4611 175.9468 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 D 8.45 5.49 0.00 2.65 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 2 S 8.30 4.48 0.00 3.95 3.93 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 3 V 8.66 4.63 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 0.97 0.00 0.00 0.87 0.00 0.00 4 T 8.72 4.84 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 1.32 0.00 0.00 5 Q 8.40 5.12 0.00 2.36 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.38 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 6 T 9.59 3.48 4.46 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 1.33 0.00 0.00 7 G 7.57 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 0.00 0.00 0.00 8 G 8.60 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 0.00 0.00 0.00 0.00 9 Q 8.02 5.21 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 10 V 9.01 4.65 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 0.90 0.00 0.00 0.94 0.00 0.00 11 A 8.56 5.26 1.20 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 0.00 0.00 12 L 9.04 4.90 0.00 1.54 1.52 0.90 0.92 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 13 S 9.10 5.03 0.00 4.07 3.76 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 14 E 7.94 4.37 0.00 1.97 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 2.42 2.52 0.00 15 E 9.19 3.90 0.00 2.14 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 2.21 2.41 0.00 16 D 7.70 4.71 0.00 2.78 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.45 4.98 0.00 3.03 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 18 L 7.39 4.11 0.00 1.50 1.05 0.71 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.01 4.53 4.19 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 1.16 0.00 0.00 20 I 8.51 4.38 1.47 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.64 1.15 0.00 0.00 21 H 8.73 5.01 0.00 3.18 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 9.10 5.34 0.00 3.20 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 23 N 9.66 5.87 0.00 2.72 2.60 0.00 0.00 6.08 7.22 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 24 Y 8.31 5.24 0.00 2.93 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 25 S 9.41 4.57 0.00 3.83 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 26 A 8.42 5.36 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 27 S 8.82 4.51 0.00 4.10 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 28 G 7.83 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.76 4.57 0.00 2.95 2.75 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 30 P 0.00 4.81 0.00 1.81 1.99 0.00 3.98 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 1.64 1.79 0.00 31 A 8.77 4.40 0.97 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 0.00 0.00 32 L 7.75 4.17 0.00 0.27 0.13 -0.71 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.40 5.58 0.00 2.85 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 34 W 8.29 5.51 0.00 2.38 2.67 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 35 Y 9.53 5.10 0.00 3.09 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 36 V 8.96 4.39 1.71 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 -0.39 0.00 0.00 0.77 0.00 0.00 37 Q 8.28 4.88 0.00 2.22 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 38 Y 8.04 4.36 0.00 3.22 2.85 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 39 P 0.00 4.30 0.00 2.09 2.07 0.00 3.95 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 40 G 9.07 3.92 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 0.00 0.00 0.00 41 E 7.88 4.78 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 2.26 2.44 0.00 42 G 8.19 4.13 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 0.00 43 P 0.00 4.98 0.00 1.72 1.90 0.00 3.54 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 1.56 1.89 0.00 44 Q 9.04 4.90 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.90 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 45 F 9.21 3.11 0.00 2.90 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 46 L 6.17 4.54 0.00 1.32 0.92 0.87 0.19 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 47 F 5.80 4.75 0.00 3.10 3.23 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 48 R 8.88 5.50 0.00 2.18 2.74 0.00 3.23 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.84 0.00 49 A 8.13 4.58 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 50 S 9.40 4.41 0.00 3.96 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 51 R 7.58 4.08 0.00 1.74 1.60 0.00 2.92 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.67 0.00 52 D 7.89 4.10 0.00 2.49 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 9.40 4.31 0.00 1.89 2.15 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.38 7.81 54 E 8.32 4.18 0.00 2.10 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 2.38 2.30 0.00 55 K 8.76 5.08 0.00 1.79 1.64 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.31 7.81 56 G 8.91 4.17 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 0.00 0.00 0.00 57 S 7.82 4.78 0.00 3.73 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 58 S 9.50 5.02 0.00 4.24 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 59 R 8.22 3.91 0.00 2.31 2.18 0.00 3.32 0.00 0.00 3.43 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 *61 G 7.96 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 0.00 0.00 0.00 62 F 8.26 4.76 0.00 3.34 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 63 E 9.04 4.82 0.00 1.90 1.87 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 2.26 2.19 0.00 64 A 8.24 4.93 0.74 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 0.00 0.00 65 T 8.35 5.05 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 1.37 0.00 0.00 66 Y 9.65 4.17 0.00 3.15 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 67 N 9.40 5.44 0.00 2.94 2.93 0.00 0.00 6.44 6.12 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 68 K 10.16 4.37 0.00 1.86 2.03 0.00 1.31 0.00 0.00 1.31 0.00 0.00 2.31 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.41 1.35 7.81 69 E 8.62 4.00 0.00 2.00 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 0.00 2.30 2.32 0.00 70 A 8.65 4.51 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 71 T 7.29 3.29 3.30 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 0.65 0.00 0.00 72 S 8.21 5.38 0.00 3.51 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 73 F 8.60 5.61 0.00 2.84 3.07 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 74 H 8.31 4.63 0.00 3.20 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.66 4.07 0.00 0.27 0.70 0.04 -0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 9.15 4.82 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 77 K 7.74 4.16 0.00 0.90 0.98 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.68 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.82 0.80 7.81 78 A 8.77 3.67 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 79 S 8.20 5.56 0.00 3.85 3.80 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 80 V 8.41 3.99 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 0.59 0.00 0.00 0.93 0.00 0.00 81 Q 10.01 4.86 0.00 1.85 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.66 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 82 E 9.13 4.27 0.00 2.30 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 2.45 2.31 0.00 83 S 7.98 4.57 0.00 4.03 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 84 D 9.38 4.80 0.00 3.01 3.07 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 85 S 7.81 4.71 0.00 3.88 3.92 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 86 A 8.36 4.24 0.49 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 0.00 0.00 87 V 7.60 4.41 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 0.55 0.00 0.00 0.84 0.00 0.00 88 Y 9.04 4.84 0.00 3.03 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 89 Y 8.99 4.97 0.00 3.12 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.80 4.04 0.00 1.68 2.61 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 91 A 8.01 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.79 5.38 0.00 1.47 1.35 0.81 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 93 S 7.94 4.76 0.00 3.94 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 *98 E 8.71 4.02 0.00 1.25 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 1.94 1.67 0.00 99 N 7.94 4.74 0.00 2.84 3.04 0.00 0.00 6.01 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 0.00 100 Y 7.39 4.52 0.00 3.02 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 0.00 101 G 8.22 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 101A N 8.07 4.21 0.00 2.78 3.03 0.00 0.00 7.06 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 0.00 102 E 8.33 3.85 0.00 2.16 2.14 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 2.35 2.27 0.00 103 K 7.91 4.20 0.00 1.77 1.78 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.48 7.81 104 I 8.21 4.40 1.83 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 1.16 0.24 0.34 0.00 0.00 105 T 8.59 4.51 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 1.22 0.00 0.00 106 F 8.83 5.01 0.00 2.77 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 0.00 107 G 8.53 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 0.00 0.00 0.00 0.00 108 A 8.70 4.19 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 0.00 109 G 9.15 3.52 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 0.00 110 T 8.06 4.70 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 1.25 0.00 0.00 111 K 9.51 4.48 0.00 1.88 1.68 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.51 7.81 112 L 8.99 5.09 0.00 1.87 1.88 0.90 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 9.03 4.70 0.00 2.15 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 114 V 8.89 4.58 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 0.79 0.00 0.00 1.03 0.00 0.00 115 V 9.26 3.95 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 0.91 0.00 0.00 0.98 0.00 0.00 116 P 0.00 4.45 0.00 2.23 2.31 0.00 3.86 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.