NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8559 8.1476 120.6203 55.5490 34.0867 173.8945 2 V 4.9079 8.8989 125.1910 59.0340 35.0484 172.5049 3 L 4.7265 8.9365 125.8545 53.4325 44.6552 176.1348 4 I 4.8575 8.5779 127.1055 59.5853 39.6428 174.4174 5 L 5.0290 8.9150 127.5579 52.8521 44.9576 175.4171 6 N 5.2972 8.8026 119.3507 51.7643 42.3271 174.9816 7 G 4.3297 8.6828 112.9865 43.4253 0.0000 171.6786 8 P 4.5408 0.0000 0.0000 63.8574 32.1468 177.3999 9 N 4.5816 9.4185 117.8501 53.8909 37.9680 176.7393 10 L 4.1297 7.5376 117.9601 56.6964 41.9151 178.6878 11 N 4.2997 8.3132 115.5047 55.4002 37.1981 175.4583 12 L 4.4334 7.9237 117.3629 53.9228 42.2959 175.9528 13 L 3.9462 7.3195 119.8804 56.0906 42.1154 176.8724 14 G 3.9641 8.9090 115.0355 46.3015 0.0000 174.9617 15 R 4.2854 7.8479 116.6636 55.6253 30.8372 176.8578 16 R 4.1362 7.7683 114.9977 56.1551 28.8334 176.0794 17 E 3.9603 8.8219 124.8416 54.8910 29.4252 170.7444 18 P 4.8305 0.0000 0.0000 64.6034 33.0511 176.8780 19 E 4.0046 8.1550 117.2892 58.5532 29.8099 178.6099 20 V 3.5382 7.8772 117.5623 65.7246 31.7580 176.1724 21 Y 4.4170 8.1051 114.7268 57.3643 39.3090 176.3400 22 G 3.9392 8.3581 105.8784 44.6969 0.0000 172.6091 23 R 4.4233 8.1659 112.9982 56.4427 30.5675 176.7739 24 T 4.1557 7.8083 110.0223 61.6465 69.6368 174.9691 25 T 4.8862 8.2498 117.2112 59.7399 71.6321 175.8188 26 L 3.9338 8.2262 121.9893 58.3367 42.0616 178.5347 27 E 3.7605 8.0555 117.9520 59.5653 29.4142 179.1258 28 E 3.8187 8.1047 118.4767 58.9917 29.4618 179.2426 29 L 3.7123 8.1842 121.1426 57.9045 42.1031 178.7800 30 E 2.8123 7.5236 117.4688 58.8300 29.2254 178.5633 31 A 3.8825 7.5801 121.9034 55.1137 18.3429 179.5978 32 L 3.1326 7.4700 116.9443 57.7514 41.3679 179.7692 33 C 4.4785 7.6228 116.5235 62.6944 28.0824 175.1952 34 E 3.8666 8.2925 121.0876 59.6310 29.0665 179.0061 35 A 3.9188 7.8699 120.0106 55.1012 18.1135 179.6281 36 W 4.5947 8.4501 118.0751 59.9321 29.0396 179.1023 37 G 3.5241 8.8456 106.0485 47.5581 0.0000 175.6734 38 A 4.0285 8.2835 123.5882 54.9060 18.3709 179.4472 39 E 4.0810 8.4835 113.9250 58.2722 29.5817 177.3038 40 L 4.4169 7.3467 119.6342 54.3259 43.0647 176.4890 41 G 3.9077 8.5958 106.0570 46.6498 0.0000 172.8622 42 L 4.7908 8.3701 119.1706 52.4080 44.1552 176.7549 43 G 4.0872 8.6703 110.4068 45.8422 0.0000 172.8540 44 V 5.3746 8.3354 114.9631 59.2648 35.8270 175.1724 45 V 4.5977 8.7773 123.3316 59.8319 34.3080 174.0750 46 F 5.1789 8.8229 125.2412 56.5986 41.8011 174.2844 47 R 4.7465 8.2614 123.5156 54.7936 34.8221 173.7753 48 Q 5.2244 8.6082 120.8301 55.3720 32.1561 173.4897 49 T 4.8962 8.8048 119.2166 61.0419 70.7689 173.2329 50 N 4.6494 9.0774 121.4739 53.6663 39.4031 175.1050 51 Y 4.4923 7.9891 118.0854 55.5972 40.3937 175.5496 52 E 3.9363 8.8742 125.8972 59.6124 29.7339 179.2788 53 G 3.5793 8.0440 104.9918 47.6045 0.0000 175.2302 54 Q 3.4790 7.8346 121.3391 58.7261 29.2150 177.8058 55 L 3.8018 7.7023 121.3383 58.1631 42.0666 178.9594 56 I 3.6671 7.9821 119.9381 64.6380 36.9732 178.3369 57 E 4.0192 8.3155 119.5636 59.1582 29.1976 179.5639 58 W 4.5087 7.9990 119.2107 59.8909 28.8778 179.0300 59 V 3.7683 7.7217 111.3569 64.3263 31.0789 178.1535 60 Q 4.1908 8.0785 117.1434 59.0354 28.8618 178.4760 61 Q 4.3028 8.1354 118.0066 57.5688 29.0223 177.7543 62 A 4.2385 7.9072 122.1616 55.9172 18.2123 179.4492 63 H 4.3523 8.3763 112.7046 58.6859 28.5252 177.6826 64 Q 3.8492 7.6318 120.1732 59.0594 28.5596 177.4551 65 E 4.0697 8.1270 113.0232 57.0100 29.2776 177.7070 66 G 3.8650 7.7513 108.1184 44.8578 0.0000 174.3756 67 F 4.4400 7.2981 118.5728 57.7432 39.4005 175.0364 68 L 4.4781 9.1427 125.9743 57.0671 43.0499 175.8114 69 A 4.7834 7.7098 118.3264 51.2734 22.9513 174.8777 70 I 4.9475 8.6314 119.1647 59.6113 41.3769 174.9802 71 V 4.6423 8.6008 126.5291 61.1602 33.6727 174.1448 72 L 5.0160 8.9967 129.7992 53.4428 45.3176 174.4620 73 N 5.1123 8.9199 126.0404 50.4125 39.1941 173.1565 74 P 4.3664 0.0000 0.0000 62.7178 32.6293 178.2942 75 G 4.2779 8.4303 107.4177 45.2584 0.0000 174.5029 76 A 4.3365 8.6330 120.3869 55.0625 18.8399 179.8919 77 L 3.1415 7.9996 115.5991 57.5260 41.9053 178.9728 78 T 3.7230 7.9711 113.1244 64.3230 67.2576 174.4948 79 H 4.9422 8.4062 116.1664 55.1323 29.1373 174.3803 80 Y 4.4720 7.1876 114.7873 56.3805 42.1969 175.7598 81 S 4.2060 7.5590 117.2710 57.6171 60.7325 173.3940 82 Y 4.1986 8.0537 125.0321 60.0272 37.8770 177.2076 83 A 4.0013 8.0673 121.7366 54.9984 18.4520 178.9880 84 L 3.8228 7.8948 118.7796 58.2478 42.1298 178.5950 85 L 3.9219 7.6432 119.6235 58.7646 41.9557 178.8837 86 D 4.4056 8.4056 118.1945 57.0821 40.4535 178.7228 87 A 3.9796 8.0392 121.0311 55.3244 18.5734 179.2947 88 I 3.7746 8.0191 117.2794 64.1864 37.8000 178.1112 89 R 4.1697 7.9173 117.6949 58.1232 30.0370 177.6106 90 A 4.4851 7.7460 119.0826 51.2795 18.9228 176.5275 91 Q 4.5708 7.0601 114.2125 54.0579 31.7924 173.5537 92 P 4.5216 0.0000 0.0000 63.9739 32.2779 176.4045 93 L 4.3724 7.8789 119.8393 53.7280 42.3866 175.4191 94 P 4.4563 0.0000 0.0000 63.0383 32.8110 175.0709 95 V 4.8694 8.3974 121.9274 61.1565 34.6817 173.8302 96 V 4.5620 8.6858 128.3824 61.2665 33.2891 174.2106 97 E 5.3044 8.7567 129.3607 55.1664 30.7529 175.2564 98 V 4.9112 7.9443 124.5208 61.7180 35.6903 173.4438 99 H 4.8923 8.8839 122.4402 54.2533 33.1101 174.5159 100 L 4.2902 9.0596 122.0022 57.7131 42.5255 177.5485 101 T 4.4997 7.8008 106.5838 59.6771 71.0662 174.0313 102 N 4.4104 8.1486 121.0762 52.3364 38.0595 175.2165 103 L 3.8254 7.4639 124.8241 58.0063 41.8068 178.7185 104 H 4.4584 8.1346 112.9678 56.6318 28.9770 175.5251 105 A 4.7001 7.6542 121.7707 51.7799 19.5093 177.0226 106 R 4.7300 7.3080 119.0852 56.2869 32.7983 175.1835 107 E 3.9751 8.4319 118.9734 57.3920 30.4965 177.3718 108 E 3.9010 8.9896 123.2847 59.3408 29.7258 179.2036 109 F 4.2762 8.2762 113.1846 59.7825 37.9700 177.3464 110 R 3.6748 6.4621 118.8525 58.4967 29.7823 177.8480 111 R 4.0809 7.5931 115.6441 57.3228 30.1860 175.8285 112 H 4.8311 8.0679 114.9952 53.5142 29.9760 173.3830 113 S 4.8174 8.4742 118.8501 56.4249 63.3419 173.9738 114 V 3.8368 8.4508 122.1313 62.8592 31.8343 177.5198 115 T 4.1140 7.6624 109.8246 63.3667 69.7663 176.8821 116 A 3.9861 7.9788 125.7091 54.5627 18.5415 177.5873 117 P 4.1805 0.0000 0.0000 65.3876 31.3758 176.8953 118 A 4.4204 7.6806 117.8353 52.3331 19.2497 176.7357 119 C 4.6569 7.7506 113.8146 58.1408 29.8555 173.9942 120 R 4.0278 8.6501 123.4248 59.5057 30.3203 176.2584 121 G 4.0771 7.4954 103.3525 45.4847 0.0000 171.2120 122 I 5.4250 8.1233 119.2086 59.0086 41.3081 174.8288 123 V 4.7649 8.9011 127.9112 60.0295 34.3988 174.4933 124 S 5.4876 8.5513 118.5035 57.5749 65.2579 173.2865 125 G 3.4655 8.8471 111.4933 45.9576 0.0000 174.5105 126 F 4.6386 7.7356 117.3705 56.7914 39.7373 178.0404 127 G 3.9941 8.4221 110.4333 45.5257 0.0000 173.5778 128 P 4.8199 0.0000 0.0000 65.6154 31.2760 178.1815 129 L 3.7542 8.2750 117.3598 57.3154 41.2932 179.0472 130 S 4.2320 8.6727 116.1250 62.1560 62.7812 176.4308 131 Y 4.0933 8.2945 118.7072 60.6758 37.6257 177.9257 132 K 3.3611 7.5569 120.1018 59.5259 32.0475 178.3121 133 L 3.7998 7.8067 118.8902 57.8566 41.4777 179.5551 134 A 4.0152 7.7603 120.4482 55.2727 18.3703 179.7329 135 L 4.0755 8.0909 117.7555 57.7643 41.5052 180.2111 136 V 3.6159 7.9262 119.4306 64.7019 31.2037 177.5445 137 Y 4.0806 7.7269 119.3802 60.7071 38.9476 178.1100 138 L 3.9058 8.0423 119.2820 57.5551 41.4998 179.3146 139 A 3.9555 7.8303 119.7131 55.3027 18.4208 179.0287 140 E 3.9224 7.6675 116.2427 58.3389 29.8730 177.3310 141 T 4.0648 6.5209 116.1908 62.7195 70.0157 175.3785 *142 L 4.1415 8.2336 121.8285 54.7097 41.6354 177.6974 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 M 8.15 4.86 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.26 0.00 2 V 8.90 4.91 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 0.80 0.00 0.00 0.98 0.00 0.00 3 L 8.94 4.73 0.00 0.68 1.06 0.53 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.58 4.86 1.70 0.00 0.00 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 1.35 0.60 1.01 0.00 0.00 5 L 8.92 5.03 0.00 1.53 1.63 1.03 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.80 5.30 0.00 2.78 2.70 0.00 0.00 6.69 6.96 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 7 G 8.68 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 0.00 0.00 0.00 0.00 8 P 0.00 4.54 0.00 2.19 1.93 0.00 3.89 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 2.10 2.06 0.00 9 N 9.42 4.58 0.00 2.93 2.98 0.00 0.00 7.12 6.56 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 10 L 7.54 4.13 0.00 1.84 1.78 1.11 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.31 4.30 0.00 2.86 3.23 0.00 0.00 6.01 7.79 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 12 L 7.92 4.43 0.00 1.69 1.69 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.32 3.95 0.00 1.84 1.76 0.75 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.91 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 15 R 7.85 4.29 0.00 1.82 1.98 0.00 3.16 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 16 R 7.77 4.14 0.00 1.96 1.98 0.00 2.92 0.00 0.00 2.84 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.29 0.00 17 E 8.82 3.96 0.00 2.26 2.32 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 2.25 2.47 0.00 18 P 0.00 4.83 0.00 2.24 2.25 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 19 E 8.15 4.00 0.00 1.98 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 2.32 2.24 0.00 20 V 7.88 3.54 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 0.18 0.00 0.00 0.83 0.00 0.00 21 Y 8.11 4.42 0.00 3.16 3.01 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 22 G 8.36 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 0.00 0.00 0.00 0.00 23 R 8.17 4.42 0.00 1.94 2.08 0.00 3.06 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 24 T 7.81 4.16 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 1.26 0.00 0.00 25 T 8.25 4.89 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 26 L 8.23 3.93 0.00 1.96 1.72 1.16 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.06 3.76 0.00 1.96 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 2.34 2.36 0.00 28 E 8.10 3.82 0.00 2.06 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 2.24 2.22 0.00 29 L 8.18 3.71 0.00 1.73 1.60 0.68 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.52 2.81 0.00 1.60 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 1.78 2.07 0.00 31 A 7.58 3.88 1.18 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 0.00 0.00 0.00 32 L 7.47 3.13 0.00 1.13 0.13 0.50 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.62 4.48 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 34 E 8.29 3.87 0.00 1.92 2.15 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 2.26 2.45 0.00 35 A 7.87 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 36 W 8.45 4.59 0.00 3.61 3.09 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 37 G 8.85 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 38 A 8.28 4.03 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 39 E 8.48 4.08 0.00 2.11 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 2.59 2.57 0.00 40 L 7.35 4.42 0.00 1.92 1.84 0.93 1.12 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 41 G 8.60 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 0.00 0.00 0.00 42 L 8.37 4.79 0.00 1.62 1.63 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.67 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 44 V 8.34 5.37 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 0.89 0.00 0.00 1.03 0.00 0.00 45 V 8.78 4.60 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 1.24 0.00 0.00 0.92 0.00 0.00 46 F 8.82 5.18 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.26 4.75 0.00 1.11 0.82 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.15 0.00 48 Q 8.61 5.22 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.78 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 49 T 8.80 4.90 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 1.00 0.00 0.00 50 N 9.08 4.65 0.00 2.62 2.61 0.00 0.00 6.82 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 51 Y 7.99 4.49 0.00 2.78 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 52 E 8.87 3.94 0.00 1.96 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 2.33 2.30 0.00 53 G 8.04 3.58 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 0.00 0.00 0.00 54 Q 7.83 3.48 0.00 1.79 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 1.54 1.16 0.00 55 L 7.70 3.80 0.00 1.92 1.59 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.98 3.67 2.04 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.79 0.89 0.00 0.00 57 E 8.32 4.02 0.00 1.83 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 2.27 2.36 0.00 58 W 8.00 4.51 0.00 3.44 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 59 V 7.72 3.77 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 0.85 0.00 0.00 0.96 0.00 0.00 60 Q 8.08 4.19 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 61 Q 8.14 4.30 0.00 2.49 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 62 A 7.91 4.24 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.38 4.35 0.00 3.50 3.64 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 7.63 3.85 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.14 0.00 0.00 0.00 0.00 0.00 2.28 2.07 0.00 65 E 8.13 4.07 0.00 2.29 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 2.35 2.37 0.00 66 G 7.75 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.30 4.44 0.00 3.24 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 68 L 9.14 4.48 0.00 1.66 1.94 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.71 4.78 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 70 I 8.63 4.95 1.86 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 1.00 0.78 0.91 0.00 0.00 71 V 8.60 4.64 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 0.96 0.00 0.00 0.99 0.00 0.00 72 L 9.00 5.02 0.00 1.70 1.41 0.91 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.92 5.11 0.00 2.67 2.74 0.00 0.00 7.08 8.34 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 74 P 0.00 4.37 0.00 2.25 2.00 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 75 G 8.43 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 0.00 0.00 0.00 76 A 8.63 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.00 3.14 0.00 1.65 1.39 0.81 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.97 3.72 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 1.25 0.00 0.00 79 H 8.41 4.94 0.00 3.54 3.62 0.00 5.71 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.19 4.47 0.00 2.90 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 81 S 7.56 4.21 0.00 3.46 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 82 Y 8.05 4.20 0.00 3.12 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 83 A 8.07 4.00 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 84 L 7.89 3.82 0.00 1.77 1.67 0.84 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.64 3.92 0.00 1.81 1.98 1.12 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.41 4.41 0.00 3.04 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 87 A 8.04 3.98 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 88 I 8.02 3.77 1.87 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 1.52 1.21 1.01 0.00 0.00 89 R 7.92 4.17 0.00 1.97 1.98 0.00 3.38 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 90 A 7.75 4.49 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 91 Q 7.06 4.57 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 92 P 0.00 4.52 0.00 2.18 2.16 0.00 3.65 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.75 0.00 93 L 7.88 4.37 0.00 1.75 1.69 1.09 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.46 0.00 2.21 2.25 0.00 3.84 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 2.13 2.02 0.00 95 V 8.40 4.87 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 1.08 0.00 0.00 0.99 0.00 0.00 96 V 8.69 4.56 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 0.88 0.00 0.00 0.98 0.00 0.00 97 E 8.76 5.30 0.00 2.08 1.76 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 2.30 2.15 0.00 98 V 7.94 4.91 1.75 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 -0.09 0.00 0.00 0.75 0.00 0.00 99 H 8.88 4.89 0.00 3.17 3.13 0.00 5.67 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 0.00 100 L 9.06 4.29 0.00 1.87 1.93 1.18 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 101 T 7.80 4.50 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 0.93 0.00 0.00 102 N 8.15 4.41 0.00 2.57 2.64 0.00 0.00 6.87 6.66 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 0.00 103 L 7.46 3.83 0.00 1.38 1.73 0.47 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.13 4.46 0.00 3.20 3.30 0.00 5.83 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.65 4.70 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 0.00 106 R 7.31 4.73 0.00 1.57 1.63 0.00 3.03 0.00 0.00 3.07 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.60 0.00 107 E 8.43 3.98 0.00 1.45 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 2.54 2.36 0.00 108 E 8.99 3.90 0.00 1.99 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 2.39 2.31 0.00 109 F 8.28 4.28 0.00 3.21 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 0.00 110 R 6.46 3.67 0.00 1.56 1.79 0.00 2.87 0.00 0.00 3.08 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 111 R 7.59 4.08 0.00 1.95 2.04 0.00 3.11 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.60 0.00 112 H 8.07 4.83 0.00 3.31 3.42 0.00 5.22 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.47 4.82 0.00 3.72 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 0.00 114 V 8.45 3.84 1.73 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 0.22 0.00 0.00 0.53 0.00 0.00 115 T 7.66 4.11 4.20 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 1.13 0.00 0.00 116 A 7.98 3.99 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 0.00 117 P 0.00 4.18 0.00 2.07 2.17 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 118 A 7.68 4.42 1.27 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 0.00 0.00 119 C 7.75 4.66 0.00 3.09 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 0.00 120 R 8.65 4.03 0.00 1.83 2.05 0.00 3.45 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.43 0.00 121 G 7.50 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 0.00 122 I 8.12 5.43 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.15 0.89 0.00 0.00 123 V 8.90 4.76 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 0.66 0.00 0.00 1.10 0.00 0.00 124 S 8.55 5.49 0.00 3.78 3.77 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 0.00 125 G 8.85 3.47 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 0.00 0.00 0.00 126 F 7.74 4.64 0.00 3.11 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 0.00 127 G 8.42 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 0.00 0.00 0.00 0.00 128 P 0.00 4.82 0.00 2.52 2.31 0.00 3.79 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 129 L 8.28 3.75 0.00 1.93 1.58 0.96 0.74 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 0.00 130 S 8.67 4.23 0.00 3.87 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 0.00 131 Y 8.29 4.09 0.00 3.49 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 0.00 132 K 7.56 3.36 0.00 0.79 1.19 0.00 1.29 0.00 0.00 1.41 0.00 0.00 2.44 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.30 0.21 7.81 133 L 7.81 3.80 0.00 1.57 1.56 0.23 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.76 4.02 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 0.00 135 L 8.09 4.08 0.00 1.91 1.82 1.21 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 136 V 7.93 3.62 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 0.81 0.00 0.00 0.91 0.00 0.00 137 Y 7.73 4.08 0.00 2.97 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 0.00 138 L 8.04 3.91 0.00 2.10 1.71 1.12 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.83 3.96 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 0.00 140 E 7.67 3.92 0.00 1.85 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 2.26 2.29 0.00 141 T 6.52 4.06 3.77 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 1.08 0.00 0.00 *142 L 8.23 4.14 0.00 1.41 1.48 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.