NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.6839 8.2033 119.7023 55.8029 29.7815 173.4348 3 K 4.6444 8.9521 123.6805 54.0640 35.0492 174.5575 4 T 4.4926 9.3261 123.1000 62.2978 69.5913 172.4513 5 P 4.7503 0.0000 0.0000 62.8733 32.3394 175.7488 6 Q 4.5398 9.0683 123.0484 55.0175 30.5362 174.7385 7 I 4.9421 8.3721 123.6832 59.6277 40.2714 174.9866 8 Q 4.6786 9.1269 125.0585 54.2274 32.6507 174.1324 9 V 5.1189 8.7495 124.1621 61.2203 33.8318 174.1793 10 Y 5.3363 8.3834 125.0284 55.8462 41.4394 174.5148 11 S 4.5169 9.0317 116.9355 58.2474 64.0230 174.1684 12 R 4.0997 8.8958 122.6418 59.0514 30.2193 176.2875 13 H 5.0544 7.7843 112.0674 52.5823 31.9842 171.7563 14 P 4.2785 0.0000 0.0000 62.6046 31.5005 174.8568 15 P 4.3915 0.0000 0.0000 62.8709 31.8880 175.9762 16 E 4.4380 8.5034 121.5824 54.1797 31.5413 174.1821 17 N 4.5637 8.8121 120.9902 55.5759 38.8559 174.3661 18 G 4.0597 8.9155 111.7643 45.2246 0.0000 173.4818 19 K 4.2677 7.9465 121.3594 54.1148 33.0053 174.4810 20 P 4.4496 0.0000 0.0000 63.5678 32.0527 174.5472 21 N 5.0152 9.1803 119.4991 52.8240 43.5773 172.3282 22 I 4.9263 8.3950 120.4949 59.3531 40.0750 174.6167 23 L 4.1465 8.4210 129.2910 53.2996 43.8983 174.5534 24 N 5.0025 8.2716 123.5648 51.4790 41.1591 172.9500 25 C 5.1194 9.5755 125.2095 55.1010 43.1645 171.7435 26 Y 5.2364 9.3504 129.6411 56.3812 39.9201 174.1285 27 V 4.9228 8.6944 128.0873 61.5560 33.8824 174.7503 28 T 5.0933 8.4855 116.9276 60.1027 72.9976 173.6848 29 Q 3.8031 8.5245 116.3752 56.7735 26.6699 173.7071 30 F 5.4266 7.4461 111.7230 55.2659 41.2507 173.9146 31 H 4.8872 8.4588 116.6005 54.9055 32.8751 171.5808 32 P 4.4364 0.0000 0.0000 61.3677 32.7938 175.1427 33 P 4.2289 0.0000 0.0000 63.3213 30.7509 176.4007 34 H 4.4803 7.6641 119.4478 55.1793 28.9729 174.1106 35 I 4.8039 7.8281 126.2296 59.0695 41.3637 173.5530 36 E 4.6313 8.7626 128.8670 54.4060 32.0629 174.3644 37 I 4.8917 8.3778 127.1741 59.6183 39.8428 174.9536 38 Q 4.7218 9.3691 124.9218 54.2734 33.2525 174.1290 39 M 5.1616 8.4993 120.4571 53.5285 35.6943 174.5239 40 L 5.2205 9.1232 122.9445 52.7472 45.5574 175.3168 41 K 4.1785 8.8000 125.1476 54.6169 33.9249 175.7916 42 N 4.3757 8.9164 126.9229 53.8688 36.3832 175.5512 43 G 3.9546 8.5431 102.5269 45.8031 0.0000 173.9608 44 K 4.6452 7.3703 118.5317 53.4992 35.1565 175.7907 45 K 4.2739 8.6118 121.2640 57.7964 32.5939 176.7333 46 I 4.3375 7.7545 124.8599 59.6723 40.1535 174.3274 *48 K 3.9912 8.4274 123.8444 57.0929 32.8116 176.1020 49 V 4.3372 8.2377 127.4193 60.9954 33.6489 174.9488 50 E 4.3302 8.6066 127.6808 56.4252 30.8485 175.7078 51 M 5.3980 8.3580 121.2992 53.5442 35.4338 175.6456 52 S 4.6315 8.8458 117.5421 57.3192 64.8392 173.8321 53 D 4.4419 8.6311 120.7250 54.7308 41.1053 176.4157 54 M 4.3268 8.4828 123.5329 56.1017 33.3254 174.8333 55 S 4.6949 8.4606 118.3954 57.1433 66.7910 171.7820 56 F 5.1260 7.5278 114.5193 55.4869 41.1075 173.5047 57 S 4.8477 8.7274 114.1900 55.9657 65.4018 174.9476 58 K 3.7725 8.5086 118.9565 59.3641 31.6316 177.6549 59 D 4.5893 7.9252 115.8544 52.7627 39.4355 177.0298 60 W 3.5992 8.1534 118.4795 57.1431 27.6478 174.3507 61 S 4.4421 7.6364 113.1302 58.0192 64.2328 173.9309 62 F 4.9373 8.2249 120.0892 57.5227 40.6918 174.1567 63 Y 5.5389 8.5010 118.0706 56.2386 41.5852 173.4898 64 I 5.0725 9.3893 121.4411 59.6579 42.4837 173.0238 65 L 5.1962 9.0426 130.0986 53.4233 44.2679 174.6163 66 A 5.3545 9.0373 128.9070 50.5207 21.6828 174.9333 67 H 5.6236 8.8244 116.2639 53.8235 32.5495 172.2503 68 T 4.8409 8.0094 112.9346 60.6935 71.4665 171.8719 69 E 5.0454 8.6891 125.1112 55.5099 30.6058 175.8000 70 F 5.0337 9.5978 119.0063 55.3347 42.2843 173.5766 71 T 4.3775 8.2739 113.6841 59.3184 69.0796 171.7489 72 P 4.6145 0.0000 0.0000 63.3604 32.6038 175.9536 73 T 5.0295 8.5340 118.6184 62.0201 72.6616 173.6760 74 E 4.3890 8.7642 119.1821 57.3414 30.2589 177.0866 75 T 4.4649 7.6862 108.2954 62.4069 70.9720 174.3558 76 D 4.6222 8.1891 122.4180 54.2703 41.6504 175.4481 77 T 4.7601 8.7484 114.9233 60.9426 71.2188 173.4410 78 Y 5.4420 8.8111 120.0396 56.6496 42.3610 174.0809 79 A 4.9331 8.9191 123.1322 51.0283 23.5003 173.9511 80 C 5.2006 9.2092 120.5372 54.8035 42.2312 172.5349 81 R 5.1800 8.9515 126.4668 54.5057 32.9709 174.3632 82 V 4.8381 8.7042 125.1220 61.1144 35.3369 173.8685 83 K 4.9204 8.8810 127.2540 55.0608 34.6609 174.7661 84 H 5.0095 8.5218 122.1717 54.7120 32.8430 174.0614 85 A 4.0309 8.4832 126.8928 55.0988 18.4355 179.2923 86 S 4.6209 8.1083 109.2598 59.7926 63.5884 173.6936 87 M 4.7768 7.7449 120.2907 53.2006 34.3925 175.7817 88 A 4.1602 8.7509 125.8111 54.3484 18.9809 177.7181 89 E 4.7846 7.6884 112.8594 53.5066 32.6614 174.0378 90 P 4.5091 0.0000 0.0000 62.6715 32.2948 175.7517 91 K 4.3705 8.6399 125.3409 55.9800 33.7545 175.2647 92 T 4.9945 8.4729 123.3887 61.7452 70.9728 173.7399 93 V 4.4392 8.7914 126.2346 61.2075 34.1826 174.3459 94 Y 4.7398 8.9127 125.7895 57.2212 38.9836 175.3679 95 W 4.4665 9.4713 134.0365 57.7374 31.6102 175.2081 96 D 4.4407 8.6904 126.6009 51.6842 41.4960 175.6552 97 R 3.5595 7.3060 123.7088 58.9538 29.1896 177.9103 98 D 4.4576 7.9396 116.5902 55.8689 41.2977 176.2336 99 M 4.2030 7.9974 123.7661 55.4459 32.0056 175.9003 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 Q 8.20 4.68 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 3 K 8.95 4.64 0.00 1.88 1.96 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.54 7.81 4 T 9.33 4.49 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 1.24 0.00 0.00 5 P 0.00 4.75 0.00 1.85 1.76 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.79 0.00 6 Q 9.07 4.54 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 7 I 8.37 4.94 1.90 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 1.31 0.60 0.93 0.00 0.00 8 Q 9.13 4.68 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 9 V 8.75 5.12 2.31 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 0.85 0.00 0.00 1.05 0.00 0.00 10 Y 8.38 5.34 0.00 3.12 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 11 S 9.03 4.52 0.00 4.00 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 12 R 8.90 4.10 0.00 1.96 1.84 0.00 3.28 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 13 H 7.78 5.05 0.00 3.49 3.17 0.00 5.74 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 14 P 0.00 4.28 0.00 2.08 2.09 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 15 P 0.00 4.39 0.00 2.20 2.45 0.00 3.74 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 2.24 2.61 0.00 16 E 8.50 4.44 0.00 1.95 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 2.30 2.32 0.00 17 N 8.81 4.56 0.00 2.72 2.85 0.00 0.00 7.44 7.65 0.00 0.00 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 G 8.92 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 19 K 7.95 4.27 0.00 1.65 1.82 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.32 7.81 20 P 0.00 4.45 0.00 2.06 1.99 0.00 3.75 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 21 N 9.18 5.02 0.00 2.49 2.28 0.00 0.00 7.08 7.71 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 22 I 8.40 4.93 1.84 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 1.25 0.71 0.89 0.00 0.00 23 L 8.42 4.15 0.00 0.27 0.56 -0.66 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.27 5.00 0.00 1.44 1.97 0.00 0.00 6.15 8.44 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 25 C 9.58 5.12 0.00 2.78 2.89 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 26 Y 9.35 5.24 0.00 3.26 3.11 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 27 V 8.69 4.92 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 0.78 0.00 0.00 0.88 0.00 0.00 28 T 8.49 5.09 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 0.51 0.00 0.00 29 Q 8.52 3.80 0.00 2.34 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 30 F 7.45 5.43 0.00 2.87 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 31 H 8.46 4.89 0.00 3.40 3.25 0.00 5.86 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 32 P 0.00 4.44 0.00 2.05 1.82 0.00 3.60 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 33 P 0.00 4.23 0.00 1.63 0.80 0.00 3.43 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.44 0.00 34 H 7.66 4.48 0.00 3.05 3.18 0.00 5.89 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.83 4.80 1.56 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.82 0.80 0.00 0.00 36 E 8.76 4.63 0.00 2.08 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 0.00 2.15 2.24 0.00 37 I 8.38 4.89 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.66 0.86 0.00 0.00 38 Q 9.37 4.72 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 39 M 8.50 5.16 0.00 1.86 1.87 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 40 L 9.12 5.22 0.00 1.43 1.55 0.81 0.42 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 41 K 8.80 4.18 0.00 1.83 1.63 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.09 0.82 7.81 42 N 8.92 4.38 0.00 2.84 2.87 0.00 0.00 6.98 7.33 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 43 G 8.54 3.95 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 44 K 7.37 4.65 0.00 1.88 1.66 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.35 7.81 45 K 8.61 4.27 0.00 1.63 1.75 0.00 1.71 0.00 0.00 1.69 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 46 I 7.75 4.34 1.96 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 1.18 0.65 0.94 0.00 0.00 *48 K 8.43 3.99 0.00 1.78 1.77 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.38 7.81 49 V 8.24 4.34 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 0.80 0.00 0.00 0.89 0.00 0.00 50 E 8.61 4.33 0.00 1.65 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 2.29 2.23 0.00 51 M 8.36 5.40 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 52 S 8.85 4.63 0.00 3.96 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 53 D 8.63 4.44 0.00 2.72 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 54 M 8.48 4.33 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.73 0.00 55 S 8.46 4.69 0.00 3.70 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 56 F 7.53 5.13 0.00 2.61 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 0.00 0.00 0.00 57 S 8.73 4.85 0.00 4.03 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 58 K 8.51 3.77 0.00 1.66 1.78 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.32 7.81 59 D 7.93 4.59 0.00 2.82 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 60 W 8.15 3.60 0.00 3.30 3.11 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 61 S 7.64 4.44 0.00 3.97 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 62 F 8.22 4.94 0.00 2.23 2.26 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 63 Y 8.50 5.54 0.00 2.94 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 64 I 9.39 5.07 2.08 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.74 1.10 0.00 0.00 65 L 9.04 5.20 0.00 2.12 1.66 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 66 A 9.04 5.35 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 67 H 8.82 5.62 0.00 3.23 3.33 0.00 5.70 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 68 T 8.01 4.84 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 1.04 0.00 0.00 69 E 8.69 5.05 0.00 1.91 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 2.30 2.32 0.00 70 F 9.60 5.03 0.00 2.65 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 71 T 8.27 4.38 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 1.24 0.00 0.00 72 P 0.00 4.61 0.00 2.13 2.24 0.00 3.40 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.09 0.00 73 T 8.53 5.03 4.44 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 0.00 0.00 0.00 1.26 0.00 0.00 74 E 8.76 4.39 0.00 2.09 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 0.00 2.28 2.31 0.00 75 T 7.69 4.46 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 1.23 0.00 0.00 76 D 8.19 4.62 0.00 2.85 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 77 T 8.75 4.76 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 1.29 0.00 0.00 78 Y 8.81 5.44 0.00 3.29 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 79 A 8.92 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 C 9.21 5.20 0.00 2.91 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 81 R 8.95 5.18 0.00 1.77 1.65 0.00 3.19 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 82 V 8.70 4.84 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 0.77 0.00 0.00 0.84 0.00 0.00 83 K 8.88 4.92 0.00 1.68 1.66 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.33 7.81 84 H 8.52 5.01 0.00 3.05 3.05 0.00 5.68 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 85 A 8.48 4.03 1.19 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 0.00 0.00 0.00 86 S 8.11 4.62 0.00 4.10 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 0.00 87 M 7.74 4.78 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.46 0.00 88 A 8.75 4.16 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 89 E 7.69 4.78 0.00 1.93 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 2.19 2.23 0.00 90 P 0.00 4.51 0.00 1.91 2.03 0.00 3.66 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 2.01 2.07 0.00 91 K 8.64 4.37 0.00 1.88 1.65 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.43 7.81 92 T 8.47 4.99 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 0.82 0.00 0.00 93 V 8.79 4.44 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 1.03 0.00 0.00 0.97 0.00 0.00 94 Y 8.91 4.74 0.00 2.94 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 95 W 9.47 4.47 0.00 3.22 3.37 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 96 D 8.69 4.44 0.00 2.63 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.31 3.56 0.00 1.74 0.78 0.00 2.94 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.47 0.00 98 D 7.94 4.46 0.00 2.74 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 99 M 8.00 4.20 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 * Residues marked with a * may have inaccurate shift predictions.