NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3493 8.1776 115.4146 58.2955 64.9824 174.8388 *2 S 4.2250 7.8151 116.9994 58.7151 64.6881 175.8177 3 D 4.3657 7.7318 120.6113 56.7673 40.6565 177.9398 4 V 4.2867 7.6206 109.5674 60.7656 32.0264 175.7504 5 A 4.0615 7.6371 124.4045 52.2443 18.6744 177.7544 6 I 4.4279 8.1593 122.9827 60.7409 37.4575 176.1881 7 V 3.8619 8.7570 127.4564 65.5119 32.1290 176.4001 8 K 4.5771 7.7579 119.5086 55.1904 35.3391 174.2719 9 E 5.3335 8.6210 123.5530 54.3529 32.9525 174.4607 10 G 4.1239 7.8204 109.8987 45.9630 0.0000 171.6552 11 W 5.2188 8.7553 120.1346 56.8277 30.2441 175.7292 12 L 4.7400 9.3122 122.0646 55.7096 44.0740 173.3199 13 H 5.6354 9.0420 115.5145 54.1017 31.5944 174.0305 14 K 4.8298 9.2908 123.3367 54.5669 34.9627 174.8302 15 R 4.1063 8.5185 128.9903 55.1054 30.3824 176.3795 16 G 4.0600 8.5599 113.7423 46.1261 0.0000 174.3583 17 E 4.0218 8.7827 121.1051 58.0558 30.1592 177.1731 18 Y 4.2847 8.0044 113.2824 59.1551 40.3544 176.0704 19 I 4.1604 7.5458 124.1586 60.0450 36.6665 176.2587 20 K 4.7823 8.3083 130.5784 55.2894 31.9026 177.3237 21 T 4.3142 7.1925 109.2024 60.4949 71.6508 174.9341 22 W 4.8764 8.5586 123.0843 56.3789 29.9530 175.8841 23 R 4.9687 9.1053 124.7986 53.4563 32.5890 173.7216 24 P 5.0878 0.0000 0.0000 63.1148 32.3033 175.9202 25 R 5.1158 9.7492 121.7456 54.9616 35.4048 173.2481 26 Y 4.1751 8.7985 124.5294 56.1964 40.0677 174.3638 27 F 5.0483 8.6800 125.6670 55.5555 42.8592 174.3857 28 L 5.2917 8.9756 122.7537 53.5398 45.6477 174.5220 29 L 5.5485 9.5024 128.6272 53.4967 44.5788 175.3343 30 K 5.2469 8.9173 124.9548 54.4701 35.2557 176.9602 31 N 4.5771 8.8226 119.3068 55.6704 38.6564 175.8176 32 D 4.6230 7.9579 117.7134 53.3311 39.9506 177.8620 33 G 4.0410 8.8167 109.4775 45.3217 0.0000 173.5150 34 T 4.6723 8.3195 111.4583 61.5388 70.4406 173.6980 35 F 5.7389 9.6446 127.5594 56.6592 41.9576 173.1834 36 I 4.6182 9.1227 120.5953 58.7330 40.4980 174.8640 37 G 2.9516 7.7886 111.1801 44.0463 0.0000 171.2374 38 Y 4.9364 8.1955 117.9177 55.6698 41.8299 176.8729 39 K 4.0785 9.0679 123.8281 58.6650 32.7522 176.9916 40 E 4.9733 7.8252 115.9898 53.7808 32.4649 175.5714 41 R 3.1342 8.6087 122.4550 55.5673 30.3887 174.6632 42 P 4.2928 0.0000 0.0000 62.8363 31.7367 176.1700 43 Q 4.4291 9.2327 120.5759 55.9159 30.4178 175.2000 44 D 4.7104 7.3338 116.9285 50.8907 43.9073 175.9735 45 V 3.5904 8.2285 117.9084 66.0492 31.1860 177.3710 46 D 4.3730 8.0527 117.5768 57.5136 41.0147 178.2966 47 Q 4.1274 8.9523 118.8525 58.9425 28.4666 178.7379 48 R 3.8456 7.6328 118.7801 59.2095 30.1684 177.5351 49 E 4.3793 7.9845 115.2680 56.2473 30.9630 176.5003 50 A 4.7617 7.6632 121.1395 49.9994 18.8759 174.4216 51 P 3.8234 0.0000 0.0000 61.7598 32.6966 177.3301 52 L 4.0463 7.9795 121.9829 57.6242 42.6387 176.6026 53 N 4.8284 7.8197 115.5156 51.3148 42.0104 173.7893 54 N 4.7988 7.5388 120.4087 52.5801 41.6714 173.2257 55 F 5.4992 9.2148 124.5074 55.8609 43.6342 174.1252 56 S 5.2689 8.9108 115.4141 57.1662 65.3384 174.8286 57 V 4.1353 8.9943 116.8951 60.7257 31.8731 175.7333 58 A 4.1529 8.0231 123.3349 54.1603 18.3679 177.4192 59 Q 3.5308 8.9042 119.9047 56.7848 26.5375 173.6372 60 C 4.6604 7.8835 112.3879 58.4667 30.8062 172.5265 61 Q 4.7979 9.0054 118.4851 54.2603 31.1784 174.9519 62 L 5.5056 8.0980 120.5987 51.6815 46.0707 176.0139 *64 K 4.3333 8.4372 118.7098 56.7499 33.1999 175.6779 65 T 4.8174 8.8094 112.4417 60.2491 71.9140 173.9472 66 E 4.9100 8.7819 118.3951 55.9408 30.7918 176.2340 67 R 4.8020 7.7438 117.5529 53.7404 33.4632 173.7487 68 P 4.5585 0.0000 0.0000 64.0415 32.0876 176.3438 69 R 4.7105 7.7091 117.2875 53.3375 33.3567 173.4486 70 P 4.5112 0.0000 0.0000 64.2847 31.7747 175.5322 71 N 4.3767 9.0809 115.4531 54.8072 36.4676 174.3111 72 T 4.8232 7.6439 114.2934 62.9545 70.5246 174.0787 73 F 5.3608 9.2769 118.9964 55.3140 41.5861 173.3290 74 I 5.0434 8.5765 120.5275 59.6538 40.3822 173.9613 75 I 4.7638 8.8038 127.2320 59.3392 40.2785 173.9557 76 R 5.0832 8.9689 130.4069 54.8286 32.0572 174.4129 77 C 5.0689 9.0140 120.4392 56.9348 34.0848 172.2507 78 L 4.8254 8.4615 121.3922 53.8493 43.0024 175.6439 79 Q 4.4660 9.3036 128.8031 54.4756 29.2296 175.2151 80 W 4.1331 8.9992 135.0000 57.5445 30.3187 174.0774 81 T 4.3000 8.3982 105.1309 61.0158 70.2039 174.1627 82 T 4.5294 8.0158 119.9590 61.7779 70.6454 173.3192 83 V 4.4522 8.3665 126.9693 62.6069 32.3284 174.9704 84 I 4.7714 9.0343 120.9205 59.1064 41.3128 173.9204 85 E 5.1904 8.5905 121.0915 54.6940 32.7353 175.7486 86 R 4.4568 8.8911 121.4745 54.5862 34.6664 174.1928 87 T 4.8090 7.7795 118.5503 61.7707 71.4219 173.2698 88 F 5.3958 9.0293 124.0002 56.0181 43.7530 173.3460 89 H 5.2141 9.1935 119.5064 54.9132 33.3303 172.5431 90 V 4.7991 7.8610 116.9652 59.8151 35.4680 175.3919 91 E 4.3448 8.9474 119.5400 57.5553 30.1957 177.2538 92 T 4.7761 7.3727 109.2462 58.3394 73.3251 172.9865 93 P 4.3610 0.0000 0.0000 66.0674 31.3131 178.6165 94 E 3.9430 8.1262 118.1116 59.2562 29.4372 178.9595 95 E 4.1378 7.9095 117.4148 59.3605 29.4948 179.2068 96 R 3.9121 7.9875 118.7779 59.5501 30.0606 178.1708 97 E 3.9194 8.2856 120.4326 58.6523 29.6085 178.5621 98 E 3.8207 8.1800 118.7152 59.1073 29.4994 179.4800 99 W 3.9836 8.0608 119.0519 59.9497 28.7407 178.8184 100 T 3.6624 7.8218 110.0154 64.9827 68.0411 176.7346 101 T 3.8392 8.1029 118.5653 66.1829 68.4770 176.5253 102 A 3.9125 7.9201 122.6811 55.2080 18.3522 179.7707 103 I 3.5717 7.7749 118.2734 64.5265 37.0865 178.4775 104 Q 3.9182 8.2191 120.5409 59.3855 28.8516 178.3949 105 T 3.8281 8.2140 117.2048 66.5983 68.5102 176.7623 106 V 3.5706 7.8976 119.8684 65.9234 31.5509 177.8775 107 A 4.0173 8.1562 120.5706 55.3564 18.1266 179.3467 108 D 4.4229 8.6004 117.9490 57.3273 40.7821 179.2723 109 G 3.5957 8.1413 106.2852 47.8802 0.0000 175.7832 110 L 4.0132 8.0487 121.6918 57.2781 41.5531 179.5988 111 K 3.9737 8.0358 119.7596 59.2931 32.1645 178.8533 112 K 4.1173 8.4078 120.3312 59.5477 31.8745 178.6897 113 Q 4.0242 8.0812 117.6624 58.8849 28.6939 178.2761 114 E 4.0672 8.0133 119.0389 59.5311 29.8333 178.2580 115 E 4.0987 8.0743 117.1350 59.5080 29.6293 177.6062 116 E 4.2697 8.5704 122.1458 56.7030 29.6812 176.7020 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 0 S 8.18 4.35 0.00 4.03 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 *2 S 7.82 4.23 0.00 4.06 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 3 D 7.73 4.37 0.00 2.75 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 4 V 7.62 4.29 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 0.73 0.00 0.00 0.95 0.00 0.00 5 A 7.64 4.06 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 6 I 8.16 4.43 1.91 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 1.38 0.64 1.06 0.00 0.00 7 V 8.76 3.86 2.10 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 0.65 0.00 0.00 0.99 0.00 0.00 8 K 7.76 4.58 0.00 1.51 1.15 0.00 1.07 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.89 7.81 9 E 8.62 5.33 0.00 2.08 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 2.23 2.42 0.00 10 G 7.82 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 11 W 8.76 5.22 0.00 3.32 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 12 L 9.31 4.74 0.00 1.91 1.80 1.10 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 13 H 9.04 5.64 0.00 3.09 3.58 0.00 5.55 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 14 K 9.29 4.83 0.00 1.91 1.75 0.00 1.95 0.00 0.00 1.82 0.00 0.00 2.78 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.18 0.75 7.81 15 R 8.52 4.11 0.00 0.67 1.17 0.00 2.31 0.00 0.00 2.71 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 16 G 8.56 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 0.00 0.00 0.00 17 E 8.78 4.02 0.00 1.90 1.53 0.00 0.00 0.00 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 2.20 0.00 18 Y 8.00 4.28 0.00 2.92 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 19 I 7.55 4.16 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.04 0.90 0.00 0.00 20 K 8.31 4.78 0.00 1.59 1.54 0.00 1.66 0.00 0.00 2.23 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.42 7.81 21 T 7.19 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 1.19 0.00 0.00 22 W 8.56 4.88 0.00 3.13 3.05 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 23 R 9.11 4.97 0.00 1.85 1.92 0.00 3.16 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 24 P 0.00 5.09 0.00 2.21 2.11 0.00 3.88 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 2.15 2.08 0.00 25 R 9.75 5.12 0.00 2.14 2.00 0.00 3.53 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 26 Y 8.80 4.18 0.00 1.43 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 27 F 8.68 5.05 0.00 2.67 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 28 L 8.98 5.29 0.00 1.86 1.63 1.08 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 29 L 9.50 5.55 0.00 2.32 1.91 1.02 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.92 5.25 0.00 1.95 1.73 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 31 N 8.82 4.58 0.00 2.88 2.90 0.00 0.00 6.96 8.22 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 32 D 7.96 4.62 0.00 2.65 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 33 G 8.82 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 34 T 8.32 4.67 4.32 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 1.30 0.00 0.00 35 F 9.64 5.74 0.00 3.17 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 36 I 9.12 4.62 1.44 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.64 0.84 0.00 0.00 37 G 7.79 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 0.00 0.00 0.00 38 Y 8.20 4.94 0.00 2.73 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 9.07 4.08 0.00 1.78 1.92 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.57 7.81 40 E 7.83 4.97 0.00 1.98 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 2.27 2.25 0.00 41 R 8.61 3.13 0.00 1.19 1.65 0.00 2.59 0.00 0.00 3.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.00 42 P 0.00 4.29 0.00 1.67 1.54 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.60 0.00 43 Q 9.23 4.43 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 44 D 7.33 4.71 0.00 2.85 2.69 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 0.00 45 V 8.23 3.59 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 1.06 0.00 0.00 0.92 0.00 0.00 46 D 8.05 4.37 0.00 2.86 2.71 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 47 Q 8.95 4.13 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 48 R 7.63 3.85 0.00 1.80 2.06 0.00 3.24 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 49 E 7.98 4.38 0.00 2.15 1.98 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 2.35 2.46 0.00 50 A 7.66 4.76 1.24 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 0.00 0.00 51 P 0.00 3.82 0.00 1.81 1.08 0.00 3.80 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 1.76 1.72 0.00 52 L 7.98 4.05 0.00 1.56 1.68 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 53 N 7.82 4.83 0.00 2.42 2.34 0.00 0.00 6.46 6.44 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 54 N 7.54 4.80 0.00 2.41 2.42 0.00 0.00 6.83 7.02 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 55 F 9.21 5.50 0.00 3.32 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 56 S 8.91 5.27 0.00 3.84 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 57 V 8.99 4.14 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 0.68 0.00 0.00 0.99 0.00 0.00 58 A 8.02 4.15 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 59 Q 8.90 3.53 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.99 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 60 C 7.88 4.66 0.00 3.13 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 61 Q 9.01 4.80 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 62 L 8.10 5.51 0.00 1.45 1.52 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 *64 K 8.44 4.33 0.00 1.81 1.85 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.46 7.81 65 T 8.81 4.82 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 1.26 0.00 0.00 66 E 8.78 4.91 0.00 1.96 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 2.22 2.25 0.00 67 R 7.74 4.80 0.00 1.77 1.81 0.00 3.39 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 68 P 0.00 4.56 0.00 2.31 2.22 0.00 3.96 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 2.41 2.04 0.00 69 R 7.71 4.71 0.00 1.69 1.70 0.00 2.63 0.00 0.00 2.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.69 0.00 70 P 0.00 4.51 0.00 2.06 2.02 0.00 3.78 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 2.14 0.00 71 N 9.08 4.38 0.00 2.94 2.96 0.00 0.00 7.23 6.83 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 72 T 7.64 4.82 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 73 F 9.28 5.36 0.00 2.97 3.05 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 74 I 8.58 5.04 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.19 0.90 0.00 0.00 75 I 8.80 4.76 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.82 1.02 0.00 0.00 76 R 8.97 5.08 0.00 1.88 1.76 0.00 3.12 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 77 C 9.01 5.07 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 4.83 0.00 1.67 1.65 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 9.30 4.47 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 5.69 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 80 W 9.00 4.13 0.00 3.49 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 81 T 8.40 4.30 3.94 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 0.02 0.00 0.00 82 T 8.02 4.53 4.32 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 1.25 0.00 0.00 83 V 8.37 4.45 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 0.79 0.00 0.00 0.92 0.00 0.00 84 I 9.03 4.77 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.54 0.97 0.00 0.00 85 E 8.59 5.19 0.00 1.74 1.78 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 2.16 2.26 0.00 86 R 8.89 4.46 0.00 1.40 1.18 0.00 3.07 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.90 0.00 87 T 7.78 4.81 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 1.16 0.00 0.00 88 F 9.03 5.40 0.00 1.51 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 0.00 0.00 0.00 89 H 9.19 5.21 0.00 2.11 2.24 0.00 5.52 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.86 4.80 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 1.00 0.00 0.00 1.18 0.00 0.00 91 E 8.95 4.34 0.00 1.98 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 2.32 2.27 0.00 92 T 7.37 4.78 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 1.26 0.00 0.00 93 P 0.00 4.36 0.00 2.29 2.43 0.00 3.71 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 94 E 8.13 3.94 0.00 2.08 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 2.39 2.45 0.00 95 E 7.91 4.14 0.00 2.29 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 2.37 2.34 0.00 96 R 7.99 3.91 0.00 1.99 2.13 0.00 3.34 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 97 E 8.29 3.92 0.00 2.21 1.98 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 2.27 2.20 0.00 98 E 8.18 3.82 0.00 2.05 1.72 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 2.22 2.49 0.00 99 W 8.06 3.98 0.00 3.11 2.59 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 0.00 100 T 7.82 3.66 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 0.83 0.00 0.00 101 T 8.10 3.84 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 1.15 0.00 0.00 102 A 7.92 3.91 1.24 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 0.00 0.00 103 I 7.77 3.57 1.71 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.56 0.73 0.00 0.00 104 Q 8.22 3.92 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 105 T 8.21 3.83 4.34 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 1.19 0.00 0.00 106 V 7.90 3.57 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 1.13 0.00 0.00 0.98 0.00 0.00 107 A 8.16 4.02 1.39 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 0.00 108 D 8.60 4.42 0.00 2.83 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 0.00 109 G 8.14 3.60 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 0.00 0.00 0.00 110 L 8.05 4.01 0.00 1.89 1.75 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.04 3.97 0.00 1.99 2.00 0.00 1.59 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.78 7.81 112 K 8.41 4.12 0.00 1.89 1.94 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.53 7.81 113 Q 8.08 4.02 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 114 E 8.01 4.07 0.00 2.14 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 0.00 2.33 2.37 0.00 115 E 8.07 4.10 0.00 2.13 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 2.35 2.44 0.00 116 E 8.57 4.27 0.00 1.92 1.88 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 2.52 2.48 0.00 * Residues marked with a * may have inaccurate shift predictions.