NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3383 8.3231 115.4192 57.1248 65.2282 174.4691 3 G 3.8044 9.0872 110.1190 44.8553 0.0000 171.4667 4 T 4.7690 8.5362 119.8371 63.0820 70.7598 172.3910 5 L 4.9349 8.5992 126.1550 53.0441 46.0838 175.0256 *7 A 4.4070 8.4042 119.2608 52.5892 20.4041 176.1467 8 F 5.3250 9.1794 118.8045 55.7188 43.1123 174.1075 9 D 4.8109 8.9902 123.1775 52.2494 42.4518 174.9144 10 F 4.1716 8.9160 128.9984 58.1817 40.0399 174.3995 11 G 3.9754 6.9925 112.3037 43.9001 0.0000 172.7794 12 T 3.8493 8.0267 109.5044 63.2186 69.3754 176.2921 13 K 4.4408 7.4773 118.6310 55.5266 33.8529 175.2538 14 S 4.8449 7.1956 112.2501 57.0606 66.1061 172.9945 15 I 4.5494 8.7657 127.7586 59.2215 39.6038 175.5980 16 G 4.0655 8.9165 115.0990 46.1881 0.0000 172.2464 17 V 4.8960 8.9453 120.7303 60.8721 34.9447 174.2041 18 A 5.0702 8.5443 128.2323 50.0900 22.5634 175.4706 19 V 4.2330 8.4468 118.8104 59.7300 34.6558 174.9316 20 G 4.4931 9.0211 109.3877 44.6954 0.0000 171.2224 21 Q 4.9562 8.9824 118.6687 53.9780 31.7746 177.1732 22 R 4.0696 9.1724 124.7062 59.1496 30.5300 178.3421 23 I 3.8515 7.9620 118.1628 64.0279 37.1232 176.8275 24 T 4.2387 7.8966 107.4429 60.9720 69.6963 175.3848 25 G 3.8762 8.3490 110.3784 45.9984 0.0000 172.7384 26 T 4.8421 7.5601 108.4624 59.5854 72.4706 172.2352 27 A 5.2210 8.2688 122.0398 50.7787 22.5056 175.4120 28 R 4.7329 8.7676 115.2355 54.1011 33.3586 172.5240 29 P 4.8182 0.0000 0.0000 62.6770 32.4864 175.2564 30 L 4.7818 8.2014 121.7649 52.0003 44.7260 174.4391 31 P 4.4760 0.0000 0.0000 62.6214 31.6327 176.8163 32 A 4.3222 8.6237 126.1009 52.3529 19.6432 176.5968 33 I 4.4007 8.6190 120.5476 59.2993 39.2160 176.0514 34 K 4.5449 8.7099 126.4173 56.4626 32.8040 176.2262 35 A 4.7597 8.6952 124.1179 50.1705 23.0609 175.1255 36 Q 4.4219 9.1174 122.2020 53.9191 30.5364 175.2733 37 D 4.2903 9.6142 129.5160 55.1865 39.6443 174.4354 38 G 4.0061 8.4120 106.2143 45.4932 0.0000 173.4609 39 T 4.3480 7.9159 118.2150 61.4404 69.4066 173.1103 40 P 4.6441 0.0000 0.0000 60.9478 33.2809 174.9548 41 D 4.4885 8.1015 117.6914 53.2444 40.3724 176.5900 42 W 4.5322 8.7390 128.1239 59.6040 29.0213 178.0256 43 N 4.5404 8.7569 116.7253 55.9721 37.8565 177.4598 44 I 3.7772 7.9300 121.7108 64.4671 37.1410 178.4460 45 I 3.7919 7.8192 120.2134 64.1948 37.0214 177.7475 46 E 3.4035 8.5451 120.5157 59.2013 29.4197 178.9363 47 R 3.8877 8.1735 118.5127 59.4881 30.1197 178.3345 48 L 4.4737 7.9950 120.0790 57.4796 41.6846 179.6723 49 L 4.0621 8.2177 119.0960 57.5654 41.2886 179.4787 50 K 4.0143 7.9764 119.2365 59.1920 31.9183 178.4194 51 E 3.9900 8.4116 118.1066 58.7979 29.5948 178.5888 52 W 4.3390 8.3885 118.1314 56.0702 30.5356 176.2187 53 Q 3.4154 8.2251 117.8191 55.9521 26.2675 172.4263 54 P 4.6426 0.0000 0.0000 62.9224 32.4223 176.8620 55 D 4.5289 9.2598 121.1833 57.4174 40.9515 176.2076 56 E 4.9041 7.6422 113.6516 55.6097 32.5386 174.6264 57 I 4.5618 8.7310 121.1817 59.5628 40.5051 174.7729 58 I 4.7810 8.1116 126.0722 59.4075 40.0616 174.4298 59 V 4.9896 8.6967 127.0907 60.7793 34.0502 175.1228 60 G 4.0797 8.7734 115.2466 45.7799 0.0000 172.9386 61 L 4.7983 8.9142 126.6772 52.3098 43.3067 173.6809 62 P 4.9828 0.0000 0.0000 62.9693 32.2634 175.6442 63 L 4.9327 8.8183 121.5573 53.1844 47.0773 179.0974 64 N 4.6709 9.2435 123.9820 53.9483 36.8568 177.2177 *66 D 4.4300 9.2074 126.6211 53.3416 41.0624 176.4155 67 G 3.9609 8.5981 109.3954 45.5170 0.0000 174.1709 68 T 4.2367 7.9939 110.2100 60.8188 69.8164 174.3661 69 E 4.5026 8.4080 122.3781 56.2104 30.4800 175.5391 70 Q 4.7078 8.6327 117.9009 52.9757 32.1478 174.4107 71 P 4.2476 0.0000 0.0000 65.9336 31.0922 178.6509 72 L 4.0601 7.9771 118.1180 58.0102 41.9680 178.9270 73 T 3.8577 7.8960 115.9559 66.6849 68.4038 176.2149 74 A 4.0063 7.5793 122.0437 55.2789 18.3610 179.9574 75 R 3.7831 7.9254 115.9089 59.1023 30.1269 178.9378 76 A 3.2626 8.0184 120.8271 54.8609 18.2755 179.8897 77 R 3.8370 7.9452 116.6282 59.3352 30.0744 179.3849 78 K 3.9117 7.9356 118.2932 59.3081 32.0235 179.1235 79 F 4.2938 8.1594 120.6572 61.3009 39.3482 176.9281 80 A 3.8002 8.1996 120.5049 55.2558 18.0744 179.3509 81 N 4.2437 8.3168 115.0066 56.6227 38.5488 177.9211 82 R 3.7018 8.3110 119.7831 59.1408 30.0609 179.2332 83 I 3.7310 7.7016 119.7612 64.5468 36.9746 177.9866 84 H 4.3030 8.2204 119.2775 59.1426 29.4777 177.6551 85 G 3.3578 7.9622 106.9117 47.7717 0.0000 175.7034 86 R 3.5658 7.5540 119.6537 57.6230 30.2711 177.9945 87 F 4.9293 7.9134 115.3461 56.1701 40.7561 177.1807 88 G 3.9239 8.3342 106.6679 45.0582 0.0000 174.4009 89 V 3.8765 7.0339 118.3951 61.1017 32.2855 175.5656 90 E 4.1867 8.7015 123.0991 56.3468 30.7678 175.3354 91 V 4.8955 8.3770 126.1044 61.0587 34.1038 174.4835 92 K 4.7411 9.1912 127.0748 54.6315 35.2889 175.2232 93 L 5.1059 8.4204 122.8720 53.9313 43.8644 175.5228 94 H 4.8760 8.8319 121.0962 54.2337 33.3147 172.3170 95 D 4.7489 8.7807 125.2985 55.2730 41.2237 176.4216 96 E 4.5845 9.2853 123.3358 54.4566 30.6872 173.6794 97 R 4.5647 8.2541 122.7108 54.7696 31.4827 176.1931 98 L 4.3591 8.4221 123.5097 55.1665 42.2937 176.6734 99 S 4.6676 8.2711 115.2195 56.7950 66.2292 173.5164 100 T 4.0710 8.2734 118.1651 63.0857 68.7354 174.7620 101 V 3.8946 8.2703 127.0669 61.7837 32.0833 175.5650 102 E 4.1668 8.5866 125.1513 55.4701 30.4026 176.4400 103 A 3.9234 8.3419 123.5246 52.5854 18.9885 178.4850 *110 G 3.7770 8.3428 110.6867 43.5770 0.0000 172.3820 111 G 4.0868 9.2462 108.4486 45.3171 0.0000 171.4620 112 Y 4.0473 8.3618 118.4349 57.3357 38.2731 175.7719 *114 R 4.5117 8.5221 119.0854 56.2467 31.3788 174.8902 115 A 4.7681 8.1784 123.6651 49.8187 22.2430 175.6024 116 L 4.2263 8.3494 120.4993 54.2413 42.6588 177.6021 117 N 4.5327 8.4099 117.8248 52.6183 39.1496 175.6160 118 K 3.8923 8.8291 123.1449 60.1089 32.0488 179.1116 119 G 3.6106 8.0563 105.0671 47.8512 0.0000 175.5667 120 K 4.0251 7.9619 120.2364 58.7664 32.2827 179.4259 121 V 3.6187 7.8844 118.7642 66.0298 31.2561 177.5210 122 D 4.4749 8.3041 116.9000 56.2868 41.0916 176.9675 123 S 4.6015 7.9610 114.7603 58.1685 63.5207 175.6776 124 A 4.0083 8.0223 125.3142 55.5536 17.8821 180.5375 125 S 4.1304 8.0577 112.8018 61.4432 62.9526 176.5838 126 A 3.9652 7.8114 123.3577 54.9634 18.1292 179.6254 127 V 3.4882 7.6643 116.4670 66.1869 31.5113 178.3362 128 I 3.7278 7.8015 119.5304 64.3555 36.8418 178.3603 129 I 3.7442 8.0392 120.9495 64.4669 36.7573 178.3068 130 L 3.9266 7.7284 119.6583 58.1023 41.9952 178.4190 131 E 4.1244 8.3762 118.1088 59.3182 29.6178 178.9483 132 S 4.3532 8.4006 113.4149 61.5229 62.4725 176.0514 133 Y 4.1951 7.9973 118.2650 58.9674 38.3864 177.1935 *135 E 4.2595 8.1075 119.8454 56.3085 31.4018 177.4308 136 Q 4.0746 8.2572 114.8835 56.4105 28.7994 176.4670 137 G 3.6052 7.5186 105.3803 46.3458 0.0000 173.5089 138 Y 3.9656 7.2710 122.7322 57.5521 37.8528 175.7409 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 S 8.32 4.34 0.00 4.04 4.11 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 0.00 0.00 0.00 3 G 9.09 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 0.00 0.00 0.00 4 T 8.54 4.77 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 1.37 0.00 0.00 5 L 8.60 4.93 0.00 1.47 1.49 1.05 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *7 A 8.40 4.41 1.09 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 8 F 9.18 5.33 0.00 3.24 3.22 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 0.00 9 D 8.99 4.81 0.00 2.85 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 10 F 8.92 4.17 0.00 3.04 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 11 G 6.99 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 0.00 0.00 0.00 12 T 8.03 3.85 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 1.20 0.00 0.00 13 K 7.48 4.44 0.00 1.71 1.77 0.00 1.92 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.26 7.81 14 S 7.20 4.84 0.00 3.76 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 15 I 8.77 4.55 1.73 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.08 0.92 0.00 0.00 16 G 8.92 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 17 V 8.95 4.90 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 0.79 0.00 0.00 1.18 0.00 0.00 18 A 8.54 5.07 1.08 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 19 V 8.45 4.23 1.15 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 0.08 0.00 0.00 -0.01 0.00 0.00 20 G 9.02 4.49 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 0.00 21 Q 8.98 4.96 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 22 R 9.17 4.07 0.00 1.78 2.01 0.00 3.21 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 23 I 7.96 3.85 1.89 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 1.49 0.49 0.93 0.00 0.00 24 T 7.90 4.24 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 1.23 0.00 0.00 25 G 8.35 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.56 4.84 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 1.27 0.00 0.00 27 A 8.27 5.22 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 0.00 0.00 0.00 0.00 0.00 28 R 8.77 4.73 0.00 1.79 1.93 0.00 2.75 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.46 0.00 29 P 0.00 4.82 0.00 2.06 2.04 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 30 L 8.20 4.78 0.00 1.45 1.62 0.73 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.48 0.00 1.95 2.00 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 32 A 8.62 4.32 1.22 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 0.00 0.00 0.00 33 I 8.62 4.40 1.84 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.84 0.00 0.00 34 K 8.71 4.54 0.00 1.59 1.68 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.42 7.81 35 A 8.70 4.76 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.12 4.42 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.16 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 37 D 9.61 4.29 0.00 2.78 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 38 G 8.41 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.92 4.35 4.36 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 1.27 0.00 0.00 40 P 0.00 4.64 0.00 1.76 1.68 0.00 3.11 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.85 0.00 41 D 8.10 4.49 0.00 2.69 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.74 4.53 0.00 3.55 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.76 4.54 0.00 2.97 2.95 0.00 0.00 6.84 7.16 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 44 I 7.93 3.78 2.00 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 1.56 0.69 0.97 0.00 0.00 45 I 7.82 3.79 2.27 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.70 0.76 0.00 0.00 46 E 8.55 3.40 0.00 2.33 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 0.00 2.38 2.52 0.00 47 R 8.17 3.89 0.00 2.03 2.12 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 48 L 7.99 4.47 0.00 2.19 1.88 1.21 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.22 4.06 0.00 1.48 1.66 0.41 1.09 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 50 K 7.98 4.01 0.00 1.75 1.83 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.47 7.81 51 E 8.41 3.99 0.00 1.93 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 0.00 2.52 1.53 0.00 52 W 8.39 4.34 0.00 3.39 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 0.00 53 Q 8.23 3.42 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.88 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 54 P 0.00 4.64 0.00 2.39 2.07 0.00 3.97 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 2.05 2.05 0.00 55 D 9.26 4.53 0.00 2.69 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 56 E 7.64 4.90 0.00 2.05 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 2.23 2.32 0.00 57 I 8.73 4.56 1.95 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 1.31 0.74 1.20 0.00 0.00 58 I 8.11 4.78 1.53 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.26 0.52 0.00 0.00 59 V 8.70 4.99 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 1.24 0.00 0.00 1.11 0.00 0.00 60 G 8.77 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 61 L 8.91 4.80 0.00 1.74 1.58 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.98 0.00 2.38 2.11 0.00 3.83 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 63 L 8.82 4.93 0.00 1.58 1.66 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 64 N 9.24 4.67 0.00 2.89 2.11 0.00 0.00 7.07 8.94 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 *66 D 9.21 4.43 0.00 2.79 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 67 G 8.60 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.99 4.24 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 1.28 0.00 0.00 69 E 8.41 4.50 0.00 1.99 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 2.32 2.30 0.00 70 Q 8.63 4.71 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 71 P 0.00 4.25 0.00 2.20 2.18 0.00 3.62 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 2.13 2.17 0.00 72 L 7.98 4.06 0.00 1.82 1.74 1.10 0.90 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 73 T 7.90 3.86 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 1.31 0.00 0.00 74 A 7.58 4.01 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 75 R 7.93 3.78 0.00 2.04 1.94 0.00 3.20 0.00 0.00 3.48 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 76 A 8.02 3.26 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 77 R 7.95 3.84 0.00 2.07 1.97 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 78 K 7.94 3.91 0.00 1.91 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.64 7.81 79 F 8.16 4.29 0.00 2.66 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 80 A 8.20 3.80 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 81 N 8.32 4.24 0.00 2.87 2.84 0.00 0.00 7.07 7.90 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 82 R 8.31 3.70 0.00 2.09 1.67 0.00 3.32 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 83 I 7.70 3.73 1.89 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.17 1.04 0.00 0.00 84 H 8.22 4.30 0.00 3.25 3.43 0.00 5.78 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 85 G 7.96 3.36 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 0.00 86 R 7.55 3.57 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.94 0.00 87 F 7.91 4.93 0.00 3.18 3.02 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 88 G 8.33 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 89 V 7.03 3.88 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 0.80 0.00 0.00 1.00 0.00 0.00 90 E 8.70 4.19 0.00 2.16 1.90 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 2.41 2.39 0.00 91 V 8.38 4.90 2.06 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 0.88 0.00 0.00 0.98 0.00 0.00 92 K 9.19 4.74 0.00 1.56 1.69 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.66 7.81 93 L 8.42 5.11 0.00 1.52 1.59 0.92 1.07 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 94 H 8.83 4.88 0.00 3.24 3.12 0.00 5.80 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.78 4.75 0.00 2.52 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 E 9.29 4.58 0.00 2.02 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 0.00 2.22 2.30 0.00 97 R 8.25 4.56 0.00 1.75 1.84 0.00 3.27 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 98 L 8.42 4.36 0.00 1.55 1.61 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.27 4.67 0.00 3.91 3.78 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 0.00 100 T 8.27 4.07 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 0.00 101 V 8.27 3.89 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 0.82 0.00 0.00 0.93 0.00 0.00 102 E 8.59 4.17 0.00 2.12 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 2.28 2.31 0.00 103 A 8.34 3.92 1.26 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 *110 G 8.34 3.78 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 0.00 0.00 0.00 111 G 9.25 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 0.00 112 Y 8.36 4.05 0.00 3.20 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 *114 R 8.52 4.51 0.00 1.79 1.88 0.00 3.13 0.00 0.00 3.78 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 115 A 8.18 4.77 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 0.00 0.00 0.00 0.00 0.00 116 L 8.35 4.23 0.00 1.65 1.63 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.41 4.53 0.00 2.91 2.95 0.00 0.00 5.52 6.87 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 0.00 118 K 8.83 3.89 0.00 1.84 1.87 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.53 7.81 119 G 8.06 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 0.00 0.00 0.00 120 K 7.96 4.03 0.00 1.92 1.85 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.49 7.81 121 V 7.88 3.62 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 1.03 0.00 0.00 1.01 0.00 0.00 122 D 8.30 4.47 0.00 2.82 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 0.00 123 S 7.96 4.60 0.00 4.02 3.96 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 0.00 0.00 0.00 124 A 8.02 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 0.00 125 S 8.06 4.13 0.00 4.05 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 0.00 126 A 7.81 3.97 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 0.00 127 V 7.66 3.49 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 1.05 0.00 0.00 0.86 0.00 0.00 128 I 7.80 3.73 2.02 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 1.53 0.50 0.94 0.00 0.00 129 I 8.04 3.74 2.03 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 1.47 0.82 0.93 0.00 0.00 130 L 7.73 3.93 0.00 1.62 1.76 0.83 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.38 4.12 0.00 1.96 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 2.34 2.54 0.00 132 S 8.40 4.35 0.00 4.00 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 0.00 133 Y 8.00 4.20 0.00 2.94 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 *135 E 8.11 4.26 0.00 2.20 2.03 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 2.30 2.44 0.00 136 Q 8.26 4.07 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.28 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 137 G 7.52 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 0.00 0.00 0.00 138 Y 7.27 3.97 0.00 1.55 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.