NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 E 4.2679 8.4401 121.4751 55.8012 30.7887 175.6887 15 A 3.8100 9.2727 128.0946 52.8973 18.4417 177.7781 16 G 4.0117 8.8135 102.3685 46.6728 0.0000 172.5839 17 I 3.9780 7.1813 120.7731 63.3777 37.7190 177.0025 18 T 3.8136 7.6918 115.7913 63.3709 69.0432 174.4179 19 G 3.4791 7.4069 113.3181 45.1280 0.0000 170.9606 20 T 4.7306 7.5468 117.4012 61.8327 70.1790 174.6192 21 W 5.1402 9.0490 125.0557 55.0572 33.6902 173.8465 22 Y 5.4453 9.5658 120.7719 56.5095 41.4139 175.3199 23 N 5.4585 9.0734 121.2939 50.5335 40.2709 175.3386 24 Q 4.3045 8.7022 115.2773 57.9188 28.9248 176.3895 25 L 4.5639 9.0562 118.2491 54.5970 42.1874 177.1775 26 G 3.9593 8.1412 105.5254 44.9258 0.0000 173.9610 27 A 4.5920 8.0425 121.2836 51.8895 20.4034 176.8053 28 T 4.8757 9.0986 116.8466 61.6492 72.2644 172.8019 29 F 5.0467 9.3925 129.4272 56.4118 41.7391 174.0089 30 I 4.7355 8.7567 127.9652 59.3791 39.4946 175.1901 31 V 4.6448 8.2393 125.8650 60.1056 35.4949 174.3014 32 T 4.6837 8.7955 118.3412 61.6938 71.8831 172.8338 33 A 4.5101 8.7290 129.1857 50.4618 20.0109 176.9235 34 G 4.0512 9.1374 110.1193 45.3842 0.0000 174.0729 35 A 4.2199 8.7075 122.6770 54.7079 18.4861 178.1169 36 D 4.6004 8.1404 113.9275 53.3990 39.7563 177.2990 37 G 3.3258 8.3051 107.3581 45.5171 0.0000 173.2653 38 A 4.9338 7.9635 121.3754 50.8587 20.9445 176.6893 39 L 5.2711 8.8992 120.4757 53.1800 44.6899 176.0198 40 T 4.9535 9.3711 112.6374 59.4874 72.8511 174.3721 41 G 3.7285 6.7681 108.3024 46.1227 0.0000 171.3383 42 T 5.2514 7.9953 111.0858 60.1072 72.9277 172.6737 43 Y 5.1831 9.5802 124.3507 56.0009 42.0513 174.2373 44 E 5.7629 9.2425 123.6160 55.2293 33.4463 174.6269 45 S 4.3727 8.9958 115.8983 60.9101 62.2102 174.0014 *49 N 4.4149 7.9629 115.3841 51.2352 39.0887 175.6646 50 A 3.9226 8.3418 123.1440 55.3686 18.6491 179.6984 51 E 3.7353 7.8068 114.2617 58.6234 29.8319 177.6131 52 S 4.8805 8.2914 112.8123 58.0555 64.3435 173.6375 53 R 5.1946 7.6642 119.1210 55.5417 31.5605 175.4197 54 Y 4.9629 9.0145 119.3480 56.3031 42.8945 174.7295 55 V 4.4059 8.5831 122.2667 62.8813 32.5140 175.0013 56 L 5.3295 8.7621 125.8197 53.5034 44.2341 174.9621 57 T 4.7902 8.1417 112.8130 61.5950 71.3748 172.7525 58 G 4.5014 8.6218 111.2264 46.3870 0.0000 172.1706 59 R 5.5833 8.7009 117.4875 54.8053 34.6580 174.3012 60 Y 5.3541 8.5816 118.1887 55.3756 41.8220 174.4648 61 D 4.3400 9.0189 120.7885 53.9529 40.9301 176.9249 62 S 4.3228 8.2103 120.7977 58.9957 64.2249 173.9185 63 A 4.7378 8.0533 123.2950 50.1630 18.4810 173.6694 64 P 4.7422 0.0000 0.0000 61.1744 32.5348 176.7593 65 A 4.2798 8.3895 122.2257 52.8575 18.7966 177.1986 66 T 4.6802 8.2316 107.8506 61.7735 69.1812 174.4696 67 D 4.7495 8.4967 118.5139 54.2725 39.7109 176.9593 68 G 3.9987 8.3037 108.1068 45.6326 0.0000 174.5772 69 S 4.2903 7.8723 115.5704 58.2646 63.3483 174.2030 70 G 4.0017 8.3404 110.2863 46.2507 0.0000 172.8149 71 T 4.7744 8.8676 116.6987 61.4793 70.0338 174.7806 72 A 4.7662 8.6216 129.5092 52.3539 19.9194 175.9689 73 L 5.0138 8.6803 120.7758 55.5014 44.7713 173.9640 74 G 4.5542 9.1692 103.7841 45.9178 0.0000 172.5450 75 W 5.7854 8.5341 117.2475 55.7245 32.1163 173.3199 76 T 5.2074 9.3330 117.2103 61.8040 71.8219 173.3064 77 V 4.3240 8.7297 124.6992 60.9154 34.3162 174.0054 78 A 4.4460 8.3435 129.7678 50.0773 19.9017 177.6850 79 W 4.2716 8.6578 125.4189 55.9717 27.7892 176.5050 80 K 5.2652 7.9453 119.6199 54.7096 34.9697 174.4965 81 N 5.0135 8.9585 121.8988 51.8603 39.9892 174.2251 82 N 4.2878 8.5279 114.0429 54.9555 38.6272 175.0857 83 Y 4.6750 7.9629 115.3962 57.9791 40.2538 175.4485 84 R 4.5329 7.5796 114.1825 55.6719 32.4011 173.4634 85 N 5.2288 8.5560 116.7125 52.6376 41.1087 173.7155 86 A 4.3338 9.2241 128.5860 51.6989 19.8396 176.1293 87 H 4.2073 8.6786 113.6393 56.3978 27.1074 174.0582 88 S 5.2749 7.5187 112.1530 57.5368 68.1605 174.5981 89 A 4.9661 9.1644 123.0286 50.8202 22.8845 175.1216 90 T 4.8639 8.6066 118.4610 61.7641 71.3186 173.5213 91 T 4.8030 8.3103 116.0670 59.6131 71.6313 172.9543 92 W 4.8953 8.7325 125.7442 54.7987 31.4126 174.7531 93 S 4.8119 8.7856 120.1595 56.5764 64.6094 172.8552 94 G 4.5457 8.7014 113.5210 46.7545 0.0000 171.7760 95 Q 5.3268 8.3150 118.6378 55.0975 32.2611 173.4921 96 Y 4.9090 9.2194 123.0518 56.8463 40.8163 174.3521 97 V 4.1570 8.1556 126.0288 61.0294 34.3062 175.3978 98 G 3.7763 8.0144 116.2405 44.7122 0.0000 169.4388 99 G 3.7881 8.9446 104.3014 43.7998 0.0000 173.4567 100 A 4.1034 8.7322 121.6894 55.1568 18.5655 179.0634 101 E 4.3704 7.7496 114.6965 54.7377 28.4069 175.5420 102 A 4.6093 7.7131 126.3277 53.2422 19.9694 177.1805 103 R 5.2601 8.7508 114.7647 55.5359 33.6799 174.0100 104 I 4.8890 8.9099 120.9100 59.8153 40.3825 174.3393 105 N 5.3106 8.8895 125.6748 52.1816 40.2563 174.6885 106 T 5.2734 9.1713 113.4400 60.0854 73.1579 172.6690 107 Q 5.1623 8.9659 121.0096 53.8887 32.1377 174.8569 108 W 5.3703 8.5164 118.8088 54.6182 32.3057 173.8224 109 L 5.1266 8.7111 120.9866 52.9621 44.4084 175.1348 110 L 4.9813 9.3196 126.9375 53.8649 43.9826 174.8573 111 T 5.0172 8.8908 124.4303 62.1201 70.6017 174.1704 112 S 5.0241 8.9145 123.1511 56.7442 64.7497 174.4975 113 G 3.8793 8.7521 112.1389 46.6742 0.0000 173.0658 114 T 4.7830 8.2710 113.8007 59.7747 72.3565 173.3468 115 T 4.3129 8.0789 112.1970 60.9557 70.0233 175.5210 116 E 4.0202 8.6865 120.9442 59.3529 29.1299 179.3876 117 A 4.1387 7.5140 120.1505 54.2715 18.6447 178.3327 118 N 4.7994 7.8370 112.8288 53.1985 39.1034 176.6301 119 A 4.1663 8.4356 126.6356 54.0834 18.1561 180.1179 120 W 4.2761 8.3878 114.1514 58.7875 28.2153 176.7664 121 K 4.0763 6.4500 117.4112 56.1091 32.3899 177.6210 122 S 4.1918 7.8486 117.1681 61.0669 63.5672 173.5165 123 T 5.0955 7.6209 116.9819 61.6450 70.8777 173.6632 124 L 4.8068 9.0210 127.0295 53.4021 44.1474 176.0260 125 V 4.3346 7.7808 120.0729 60.4076 34.5264 175.4609 126 G 3.1646 6.2575 107.6776 45.9669 0.0000 171.2888 127 H 5.3791 8.1023 114.3478 54.3168 31.7522 172.7323 128 D 5.2205 9.2901 118.9817 53.0717 45.5027 174.4753 129 T 5.1828 9.0202 117.9572 61.8850 71.9798 172.9413 130 F 5.6104 9.4884 125.0508 56.1000 42.1054 174.7777 131 T 5.5512 9.2339 111.6762 60.0468 72.2390 174.8970 132 K 3.8983 8.8891 120.2899 57.7382 32.4600 177.3068 133 V 4.5771 7.4745 110.4984 58.9831 35.1824 175.6221 134 K 3.9477 8.1950 119.0885 56.8074 31.9447 177.3175 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 14 E 8.44 4.27 0.00 1.95 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 15 A 9.27 3.81 1.21 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 0.00 0.00 16 G 8.81 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 17 I 7.18 3.98 1.36 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 -0.12 0.57 0.00 0.00 18 T 7.69 3.81 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 1.09 0.00 0.00 19 G 7.41 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.55 4.73 3.99 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 0.65 0.00 0.00 21 W 9.05 5.14 0.00 3.24 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 22 Y 9.57 5.45 0.00 3.04 2.90 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 23 N 9.07 5.46 0.00 2.34 2.28 0.00 0.00 6.63 7.56 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 24 Q 8.70 4.30 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.17 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 25 L 9.06 4.56 0.00 1.75 1.74 0.97 1.02 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 26 G 8.14 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 27 A 8.04 4.59 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.10 4.88 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 1.05 0.00 0.00 29 F 9.39 5.05 0.00 2.57 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 30 I 8.76 4.74 1.72 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.84 0.75 0.00 0.00 31 V 8.24 4.64 0.67 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 0.27 0.00 0.00 0.47 0.00 0.00 32 T 8.80 4.68 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 1.13 0.00 0.00 33 A 8.73 4.51 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.14 4.05 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 0.00 35 A 8.71 4.22 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 36 D 8.14 4.60 0.00 2.78 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 37 G 8.31 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 0.00 0.00 0.00 38 A 7.96 4.93 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 39 L 8.90 5.27 0.00 1.80 1.55 0.74 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.37 4.95 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 1.21 0.00 0.00 41 G 6.77 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 42 T 8.00 5.25 4.29 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 1.21 0.00 0.00 43 Y 9.58 5.18 0.00 3.05 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 44 E 9.24 5.76 0.00 2.09 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 0.00 2.35 2.13 0.00 45 S 9.00 4.37 0.00 3.99 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 *49 N 7.96 4.41 0.00 2.84 3.00 0.00 0.00 5.86 7.75 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 50 A 8.34 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.81 3.74 0.00 1.80 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 2.16 1.77 0.00 52 S 8.29 4.88 0.00 4.02 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 0.00 53 R 7.66 5.19 0.00 1.73 1.91 0.00 3.14 0.00 0.00 3.55 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 54 Y 9.01 4.96 0.00 2.86 2.72 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 55 V 8.58 4.41 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 0.81 0.00 0.00 0.96 0.00 0.00 56 L 8.76 5.33 0.00 2.08 1.81 0.80 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.14 4.79 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 1.27 0.00 0.00 58 G 8.62 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 5.58 0.00 1.77 1.80 0.00 3.30 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 60 Y 8.58 5.35 0.00 2.97 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 61 D 9.02 4.34 0.00 2.81 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 62 S 8.21 4.32 0.00 3.90 3.46 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 0.00 63 A 8.05 4.74 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 64 P 0.00 4.74 0.00 2.27 2.17 0.00 3.44 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 65 A 8.39 4.28 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 66 T 8.23 4.68 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 1.24 0.00 0.00 67 D 8.50 4.75 0.00 2.80 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 68 G 8.30 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 0.00 0.00 0.00 69 S 7.87 4.29 0.00 3.97 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 70 G 8.34 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 0.00 0.00 0.00 71 T 8.87 4.77 4.58 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 1.45 0.00 0.00 72 A 8.62 4.77 1.30 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 0.00 0.00 73 L 8.68 5.01 0.00 2.10 1.97 1.24 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.17 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 W 8.53 5.79 0.00 3.52 3.28 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 76 T 9.33 5.21 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 1.18 0.00 0.00 77 V 8.73 4.32 1.52 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 -0.24 0.00 0.00 0.90 0.00 0.00 78 A 8.34 4.45 1.17 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 79 W 8.66 4.27 0.00 3.19 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 80 K 7.95 5.27 0.00 1.95 1.72 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.45 7.81 81 N 8.96 5.01 0.00 2.84 2.71 0.00 0.00 6.73 6.49 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 82 N 8.53 4.29 0.00 1.92 2.37 0.00 0.00 6.61 7.46 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 83 Y 7.96 4.67 0.00 2.92 2.96 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 84 R 7.58 4.53 0.00 1.87 2.09 0.00 2.87 0.00 0.00 3.45 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.78 0.00 85 N 8.56 5.23 0.00 2.67 2.61 0.00 0.00 6.91 7.96 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 86 A 9.22 4.33 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 87 H 8.68 4.21 0.00 3.32 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.52 5.27 0.00 3.87 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 89 A 9.16 4.97 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 90 T 8.61 4.86 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 91 T 8.31 4.80 4.15 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 1.15 0.00 0.00 92 W 8.73 4.90 0.00 1.78 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 0.00 0.00 0.00 93 S 8.79 4.81 0.00 3.78 3.64 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 94 G 8.70 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.31 5.33 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 96 Y 9.22 4.91 0.00 3.02 2.90 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 97 V 8.16 4.16 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 0.85 0.00 0.00 0.91 0.00 0.00 98 G 8.01 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 99 G 8.94 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 0.00 0.00 0.00 100 A 8.73 4.10 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 0.00 101 E 7.75 4.37 0.00 2.11 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 2.25 2.39 0.00 102 A 7.71 4.61 1.49 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 0.00 103 R 8.75 5.26 0.00 2.17 2.31 0.00 2.78 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.00 0.00 104 I 8.91 4.89 1.70 0.00 0.00 -0.47 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 -0.08 1.09 0.00 0.00 105 N 8.89 5.31 0.00 2.75 2.81 0.00 0.00 6.09 6.33 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 0.00 106 T 9.17 5.27 4.41 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 1.46 0.00 0.00 107 Q 8.97 5.16 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 108 W 8.52 5.37 0.00 2.64 2.39 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 0.00 109 L 8.71 5.13 0.00 1.53 1.55 0.87 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.32 4.98 0.00 1.57 1.73 0.94 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.89 5.02 4.22 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 1.19 0.00 0.00 112 S 8.91 5.02 0.00 3.65 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 0.00 113 G 8.75 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 0.00 114 T 8.27 4.78 4.16 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 1.16 0.00 0.00 115 T 8.08 4.31 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 1.21 0.00 0.00 116 E 8.69 4.02 0.00 2.02 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 2.41 2.33 0.00 117 A 7.51 4.14 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 0.00 118 N 7.84 4.80 0.00 2.69 2.64 0.00 0.00 6.75 7.11 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 0.00 119 A 8.44 4.17 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 0.00 120 W 8.39 4.28 0.00 3.58 3.25 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 0.00 121 K 6.45 4.08 0.00 1.13 0.74 0.00 1.16 0.00 0.00 1.03 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 0.74 7.81 122 S 7.85 4.19 0.00 4.14 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 0.00 123 T 7.62 5.10 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 1.19 0.00 0.00 124 L 9.02 4.81 0.00 1.80 1.75 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.78 4.33 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 0.52 0.00 0.00 0.66 0.00 0.00 126 G 6.26 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 0.00 0.00 0.00 127 H 8.10 5.38 0.00 3.17 3.11 0.00 5.67 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 0.00 128 D 9.29 5.22 0.00 3.12 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.02 5.18 4.29 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 1.42 0.00 0.00 130 F 9.49 5.61 0.00 2.99 3.29 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 0.00 131 T 9.23 5.55 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 132 K 8.89 3.90 0.00 1.59 1.66 0.00 1.44 0.00 0.00 1.40 0.00 0.00 2.72 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.30 0.31 7.81 133 V 7.47 4.58 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 0.75 0.00 0.00 0.95 0.00 0.00 134 K 8.19 3.95 0.00 1.37 1.50 0.00 0.83 0.00 0.00 1.40 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.12 0.29 7.81 * Residues marked with a * may have inaccurate shift predictions.