NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3599 0.0000 0.0000 62.3698 32.7992 175.0838 2 Q 4.2472 8.4807 122.0889 54.1952 30.1507 173.3153 3 I 4.3952 8.0351 126.1918 59.5571 39.8415 175.2887 4 T 4.2362 8.3827 115.7973 61.3417 69.7575 174.0565 5 L 4.6654 7.4479 118.4892 54.2606 42.3926 178.2433 6 W 4.4321 8.0249 121.7552 58.7067 29.1471 175.9324 7 K 4.7639 7.7092 114.8812 54.0226 35.2352 175.7278 8 R 3.9205 8.5762 118.0133 56.5907 30.5365 176.4735 9 P 4.6591 0.0000 0.0000 62.1938 29.6739 173.9308 10 I 4.8437 7.6028 125.4675 60.8964 39.2302 175.6496 11 V 4.6267 8.5710 118.5489 59.7050 36.7208 174.6448 12 T 4.7929 8.4248 119.0489 63.2957 69.6971 173.9444 13 I 4.9048 8.9578 119.9219 59.0290 41.0267 174.2204 14 R 5.0423 8.8835 124.4956 54.6364 33.0141 174.3092 15 I 4.5165 8.6202 126.1469 59.2463 41.1479 175.3372 16 G 3.9826 9.9307 120.4171 46.6560 0.0000 173.6720 17 G 3.9382 8.4562 105.8711 44.9055 0.0000 173.6292 18 Q 4.3774 8.3895 122.2249 54.9785 30.1322 175.3015 19 L 5.0712 8.3470 123.5104 53.3910 43.5480 174.0007 20 K 4.7348 9.0051 124.4484 53.7539 36.1813 174.9230 21 E 5.2942 8.5533 119.1807 55.0986 32.3586 175.8249 22 A 4.8362 8.4781 122.6990 50.7243 23.4321 175.3946 23 L 4.6286 9.0072 121.5108 54.2879 43.1847 176.5377 24 L 4.3003 8.7143 124.7213 54.6439 42.0880 176.4711 25 D 4.8418 9.1663 125.9400 52.3242 42.8043 176.5710 26 T 4.0108 8.7367 117.1182 63.8352 69.1562 175.8145 27 G 3.6483 8.3735 109.8096 46.3824 0.0000 173.0141 28 A 4.5571 7.7239 123.3611 50.3698 20.2993 177.7180 29 D 4.4097 8.9505 123.1429 57.0739 42.3073 176.1260 30 D 5.3144 7.7684 115.5000 51.4674 46.0894 174.7225 31 T 4.4598 8.4084 116.5321 62.8551 70.3597 174.1733 32 V 4.8876 8.6620 125.7570 61.2258 34.4585 174.1417 33 L 5.1824 9.0121 128.0374 52.7727 44.8699 175.9163 34 E 4.5655 10.0933 123.4453 56.2369 30.8508 176.8708 35 E 3.7268 7.5723 120.5796 55.8495 28.7899 176.1949 36 M 4.4558 7.9770 118.2764 53.9898 33.5742 173.8458 37 N 4.5000 8.7459 120.7918 53.1692 39.2756 174.1967 38 L 4.4779 7.7360 125.5429 51.9773 44.0034 174.5629 39 P 4.4046 0.0000 0.0000 63.1189 32.3020 176.6429 40 G 3.8505 8.6829 108.5595 44.8774 0.0000 173.3897 41 K 4.1479 8.5106 122.4056 54.8199 32.2534 172.8550 *42 W 4.6137 8.3615 128.2441 54.8808 31.1378 173.8260 43 K 4.5450 8.2007 123.0860 53.0246 35.0699 175.2263 44 P 4.6965 0.0000 0.0000 62.5476 32.1574 175.6532 45 K 4.6135 8.7656 122.3377 55.6317 36.2224 174.0296 46 M 5.4275 8.7051 125.2574 53.5246 34.4011 175.1628 47 I 4.8939 8.8802 116.8454 58.8852 41.2594 174.9275 48 V 3.2177 8.2139 124.2334 61.0229 32.5733 175.2966 49 G 4.0600 8.3817 111.4248 43.3177 0.0000 171.3485 50 I 3.6001 8.0945 119.9784 63.5294 36.8634 176.9062 51 G 3.9361 8.7200 114.6262 44.2055 0.0000 172.8787 52 G 4.0462 6.5055 107.2130 45.5869 0.0000 170.7794 53 F 5.3322 8.4010 117.8580 55.7564 41.1613 176.0156 54 V 4.4544 8.5968 122.1751 59.8370 33.7788 174.6102 55 K 4.7752 8.6706 125.9719 56.0993 32.9696 176.0066 56 V 4.7987 9.1691 119.9627 59.6958 36.6088 174.4145 57 R 4.6191 9.1285 121.4835 54.9446 32.1241 175.3659 58 Q 4.8289 8.7032 125.8797 55.0728 30.7027 173.7256 59 Y 5.0503 9.1403 124.4495 56.4134 40.9996 174.7648 60 D 5.0803 8.8091 122.2876 52.8821 43.6185 175.6413 61 Q 3.4543 8.4017 116.0012 57.3234 26.3297 174.1933 62 I 4.3697 7.9629 119.1787 59.1875 39.1881 174.5669 63 P 4.9957 0.0000 0.0000 62.4369 32.1591 175.9392 64 I 4.7396 8.6363 125.0007 59.3981 41.0799 174.0298 65 E 4.8661 9.1488 128.5576 55.3328 31.2142 174.8569 66 I 4.5504 8.8353 127.7244 59.7211 40.4800 175.4225 67 C 4.2146 9.3844 125.1643 60.7379 26.2249 174.7916 68 G 4.2193 8.5783 105.2541 43.6378 0.0000 173.4895 69 H 4.7587 8.2634 117.7093 53.8187 30.4975 173.9469 70 K 4.7503 8.5878 123.1835 55.5741 32.6794 175.9042 71 A 5.0171 8.8257 127.1336 50.2810 22.4651 175.1220 72 I 4.9334 8.7200 120.3605 60.0339 41.2073 175.6871 73 G 3.9897 8.0271 114.0061 46.2903 0.0000 171.4761 74 T 4.6804 8.6350 117.8696 63.5517 69.4275 174.5309 75 V 4.6082 9.1145 125.8962 61.1273 34.8798 174.0242 76 L 5.2444 9.1220 127.8553 53.2586 44.3157 175.5422 77 V 5.0149 8.0871 122.7005 60.3498 34.4336 174.8506 78 G 4.1346 8.2705 113.4924 45.0762 0.0000 172.5665 79 P 4.7165 0.0000 0.0000 62.9070 28.4256 174.8157 80 T 4.4297 7.5069 117.9684 60.5212 69.0024 173.4545 81 P 4.3951 0.0000 0.0000 65.4726 31.6203 176.1994 82 A 4.6548 7.2235 118.6426 50.2006 22.4535 175.4446 83 N 4.6657 8.7810 118.6192 53.7570 39.9090 174.1259 84 I 4.9269 8.8389 124.1927 59.5521 41.2351 174.5413 85 I 4.2845 9.3300 128.9942 60.1370 38.5130 175.9381 86 G 4.1146 8.3860 115.9608 44.0538 0.0000 173.8501 87 R 4.0927 9.0219 118.6734 58.9794 29.9109 179.2079 88 N 4.3481 8.0856 115.7101 55.2903 37.3821 176.5662 89 L 4.3882 7.7459 117.3993 55.9210 42.7796 178.5138 90 L 4.0064 8.0224 119.4492 57.9403 41.5644 179.5953 91 T 3.8987 8.0585 109.7842 64.9527 68.4431 176.6432 92 Q 4.0559 7.6503 120.4226 58.1448 28.8166 177.8153 93 I 4.2560 7.5977 110.8613 60.4308 38.1485 175.9296 94 G 3.7893 7.7658 108.2410 46.5669 0.0000 173.1861 95 C 4.3054 8.0345 120.4047 58.6698 32.0360 172.8971 96 T 4.7398 8.1736 115.8820 59.6774 71.5209 172.9054 97 L 4.5927 8.2815 122.1916 53.6786 43.0481 176.2258 98 N 5.0178 8.5618 119.4946 51.5384 42.1098 174.4503 99 F 4.4800 8.2961 117.1218 57.3449 37.5522 173.9052 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 P 0.00 4.36 0.00 2.09 2.07 0.00 3.93 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 1.93 1.99 0.00 2 Q 8.48 4.25 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 3 I 8.04 4.40 1.86 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 1.48 0.78 0.91 0.00 0.00 4 T 8.38 4.24 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 1.34 0.00 0.00 5 L 7.45 4.67 0.00 1.27 1.47 0.78 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.02 4.43 0.00 3.31 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 7 K 7.71 4.76 0.00 1.85 1.84 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.46 7.81 8 R 8.58 3.92 0.00 1.83 1.94 0.00 3.21 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 9 P 0.00 4.66 0.00 2.10 2.19 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.96 0.00 10 I 7.60 4.84 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 1.35 0.60 0.96 0.00 0.00 11 V 8.57 4.63 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 0.79 0.00 0.00 0.93 0.00 0.00 12 T 8.42 4.79 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 13 I 8.96 4.90 1.87 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 1.11 0.81 0.91 0.00 0.00 14 R 8.88 5.04 0.00 1.86 1.78 0.00 3.03 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 15 I 8.62 4.52 1.85 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 1.16 1.00 0.89 0.00 0.00 16 G 9.93 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 17 G 8.46 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 18 Q 8.39 4.38 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 19 L 8.35 5.07 0.00 1.38 1.44 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 20 K 9.01 4.73 0.00 1.65 1.72 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.37 7.81 21 E 8.55 5.29 0.00 1.81 1.82 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 2.20 2.27 0.00 22 A 8.48 4.84 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 23 L 9.01 4.63 0.00 1.68 1.59 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.71 4.30 0.00 1.51 1.63 0.91 1.11 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 25 D 9.17 4.84 0.00 2.64 2.50 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 26 T 8.74 4.01 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 1.20 0.00 0.00 27 G 8.37 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.72 4.56 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 29 D 8.95 4.41 0.00 2.61 2.73 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 30 D 7.77 5.31 0.00 2.55 2.52 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 31 T 8.41 4.46 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 1.31 0.00 0.00 32 V 8.66 4.89 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 1.07 0.00 0.00 0.98 0.00 0.00 33 L 9.01 5.18 0.00 1.58 1.52 0.91 0.57 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 34 E 10.09 4.57 0.00 2.17 1.84 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 2.33 2.40 0.00 35 E 7.57 3.73 0.00 2.16 2.02 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 2.27 2.36 0.00 36 M 7.98 4.46 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 37 N 8.75 4.50 0.00 2.70 2.76 0.00 0.00 6.95 7.78 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 38 L 7.74 4.48 0.00 0.27 0.93 0.54 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.40 0.00 2.18 2.03 0.00 3.59 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 40 G 8.68 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 0.00 0.00 0.00 41 K 8.51 4.15 0.00 1.79 1.62 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *42 W 8.36 4.61 0.00 2.26 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 0.00 0.00 0.00 43 K 8.20 4.55 0.00 1.41 1.64 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.27 7.81 44 P 0.00 4.70 0.00 1.89 2.00 0.00 3.62 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 45 K 8.77 4.61 0.00 1.81 1.59 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.43 7.81 46 M 8.71 5.43 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 47 I 8.88 4.89 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 1.49 0.87 0.95 0.00 0.00 48 V 8.21 3.22 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 0.54 0.00 0.00 0.54 0.00 0.00 49 G 8.38 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 50 I 8.09 3.60 1.84 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 1.31 0.53 0.89 0.00 0.00 51 G 8.72 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 52 G 6.51 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 53 F 8.40 5.33 0.00 2.83 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 54 V 8.60 4.45 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 0.72 0.00 0.00 0.96 0.00 0.00 55 K 8.67 4.78 0.00 1.81 1.77 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.47 7.81 56 V 9.17 4.80 2.19 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 0.77 0.00 0.00 0.98 0.00 0.00 57 R 9.13 4.62 0.00 1.61 1.52 0.00 3.08 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 58 Q 8.70 4.83 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 59 Y 9.14 5.05 0.00 2.93 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 60 D 8.81 5.08 0.00 2.58 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 61 Q 8.40 3.45 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 62 I 7.96 4.37 1.97 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 1.40 1.49 0.86 0.00 0.00 63 P 0.00 5.00 0.00 1.93 1.99 0.00 3.60 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 64 I 8.64 4.74 1.87 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 1.10 0.85 0.97 0.00 0.00 65 E 9.15 4.87 0.00 2.03 1.81 0.00 0.00 0.00 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 2.44 0.00 66 I 8.84 4.55 1.88 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 1.23 0.70 0.91 0.00 0.00 67 C 9.38 4.21 0.00 3.16 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 68 G 8.58 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 0.00 0.00 0.00 0.00 69 H 8.26 4.76 0.00 3.30 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.59 4.75 0.00 1.64 1.77 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.44 7.81 71 A 8.83 5.02 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 72 I 8.72 4.93 1.88 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 1.16 0.61 0.92 0.00 0.00 73 G 8.03 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 74 T 8.64 4.68 4.27 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 1.31 0.00 0.00 75 V 9.11 4.61 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 1.10 0.00 0.00 0.94 0.00 0.00 76 L 9.12 5.24 0.00 1.68 1.58 0.94 0.60 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 77 V 8.09 5.01 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 1.37 0.00 0.00 1.06 0.00 0.00 78 G 8.27 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 0.00 0.00 0.00 0.00 79 P 0.00 4.72 0.00 2.20 2.13 0.00 3.92 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 80 T 7.51 4.43 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 1.35 0.00 0.00 81 P 0.00 4.40 0.00 2.07 2.13 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 82 A 7.22 4.65 1.23 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 0.00 0.00 83 N 8.78 4.67 0.00 2.82 2.77 0.00 0.00 6.77 7.55 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 84 I 8.84 4.93 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.98 0.90 0.00 0.00 85 I 9.33 4.28 1.94 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 1.16 1.02 0.91 0.00 0.00 86 G 8.39 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 0.00 0.00 0.00 87 R 9.02 4.09 0.00 1.98 1.99 0.00 3.14 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 88 N 8.09 4.35 0.00 2.82 3.10 0.00 0.00 6.81 7.06 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 89 L 7.75 4.39 0.00 1.70 1.73 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.02 4.01 0.00 1.69 1.71 0.98 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.06 3.90 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 1.23 0.00 0.00 92 Q 7.65 4.06 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 93 I 7.60 4.26 1.75 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 1.80 0.50 0.97 0.00 0.00 94 G 7.77 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 95 C 8.03 4.31 0.00 2.96 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 96 T 8.17 4.74 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 97 L 8.28 4.59 0.00 1.74 1.76 0.94 0.93 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 98 N 8.56 5.02 0.00 2.65 2.68 0.00 0.00 6.81 7.45 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 99 F 8.30 4.48 0.00 3.08 2.87 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.