NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6081 8.4645 119.5556 52.9211 42.0611 176.9343 3 K 4.2556 7.8826 118.2423 53.9923 32.6673 176.2863 4 I 4.3161 8.3360 120.0855 61.6520 38.9113 175.1463 5 I 4.1938 8.4284 128.6996 60.8171 38.7618 174.7191 6 H 5.1849 8.7967 124.2567 54.4995 29.3065 175.0487 7 L 4.6540 8.4799 124.3139 54.3006 43.0320 176.6882 8 T 4.9769 8.6027 108.8522 58.5689 71.8427 174.6866 9 D 4.4565 9.1369 122.8929 57.4712 40.9196 177.8472 10 D 4.6203 8.1056 116.6603 54.4996 40.2323 177.5066 11 S 4.6262 8.0316 114.2086 58.2585 63.5184 175.5032 12 F 3.9851 8.2030 125.2733 61.6095 39.1384 175.9873 13 D 4.2833 8.2217 116.8926 57.8688 40.9035 178.2579 14 T 3.8282 7.7261 114.1755 66.7572 68.6021 176.0174 15 D 4.3924 8.1350 119.9992 56.2056 41.1634 177.5005 16 V 3.7758 7.4342 116.7253 64.3540 32.7617 177.5874 17 L 3.7650 7.3905 120.3494 58.1084 41.5861 179.4556 18 K 4.2969 7.6520 116.7560 54.5743 31.3702 179.2221 19 A 4.2298 7.5671 122.2815 53.1900 19.1353 178.3785 20 D 5.4501 8.1689 120.4771 55.8403 42.2891 176.5313 21 G 4.3416 7.6605 108.1221 45.7476 0.0000 171.8835 22 A 5.1671 8.5456 122.4418 51.0796 20.9854 177.0585 23 I 4.8148 8.8903 123.0476 59.3807 41.1036 174.3331 24 L 4.7031 8.9251 130.4755 54.2017 43.5927 175.3161 25 V 4.7489 8.9672 126.5018 61.1741 34.3419 173.4372 26 D 5.2065 9.4326 129.2055 52.8342 43.1463 174.9308 27 F 5.2309 9.4886 126.8505 56.3208 40.5467 175.2633 28 W 5.8296 8.7680 119.8159 55.4198 32.6080 173.4775 29 A 4.1401 8.6605 120.8084 51.3419 21.1466 178.2428 30 E 4.2297 9.0846 119.9278 59.2765 30.0751 178.4880 *31 W 4.0665 8.1004 117.2700 58.6534 28.4057 179.3050 32 C 4.5567 7.8475 117.0923 57.6898 30.6674 172.6071 33 A 4.4226 8.2808 129.8592 51.6666 19.2079 176.1206 34 C 4.8459 8.1439 117.7766 57.4886 32.4850 173.2480 35 A 3.9358 8.7166 124.3264 53.7223 18.0377 179.5042 36 K 4.0757 8.9762 126.8184 58.0398 31.7697 175.2840 37 M 4.5945 8.0402 115.6594 55.3037 31.5872 181.3294 38 I 4.1486 8.0493 117.8378 61.8099 36.5626 181.0940 39 A 4.2734 7.8800 120.7946 54.8270 19.1247 177.1488 40 P 4.4397 0.0000 0.0000 64.5378 31.4731 178.2793 41 I 3.8201 7.5481 120.4358 64.4192 37.1535 177.8313 42 L 4.0831 7.7847 119.4371 57.5162 41.3672 179.1736 43 D 4.3703 7.8658 118.7602 57.1812 40.7837 178.4002 44 E 4.0153 8.0776 118.7741 59.4526 29.4658 179.4736 45 I 3.9208 7.9159 119.7380 64.3299 36.9442 178.2826 46 A 4.1307 7.9823 120.7643 55.0367 18.0900 179.0411 47 D 4.4016 8.0185 116.1083 57.5023 41.2274 178.1694 48 E 3.9799 8.3241 117.9965 59.5751 29.7505 178.2412 49 Y 4.4011 8.5147 115.2540 56.8558 37.7401 175.6143 50 Q 4.4417 7.1065 119.3414 57.4970 29.1012 177.1838 51 G 4.0810 9.5145 109.8853 45.9926 0.0000 175.1391 52 K 4.6543 7.5743 115.8860 53.7722 34.2977 180.3614 53 L 5.0384 8.2507 117.3819 54.5896 45.5609 175.0597 54 T 4.6927 8.5032 121.0995 61.8314 71.7914 173.6969 55 V 4.7143 8.2610 124.9784 62.1378 34.2013 174.0500 56 A 5.0323 8.2804 123.5264 50.9509 23.1169 175.4886 57 K 5.0806 8.8221 119.3324 54.4656 36.3968 175.3524 58 L 4.7619 8.7054 125.2616 52.9802 45.0582 174.9656 59 N 3.9058 8.6707 126.6330 53.2233 39.5239 175.1657 60 I 4.1159 8.7066 120.3853 62.4521 38.2723 177.7185 61 D 4.2040 8.7324 123.7407 56.8185 41.1809 176.8077 62 Q 4.4069 7.8991 113.1047 56.2942 29.5390 175.1469 63 N 5.0690 7.7203 116.7856 51.9923 39.4272 173.6211 64 P 4.6914 0.0000 0.0000 63.3275 31.8816 177.7572 65 G 3.8175 9.1355 109.5995 47.9758 0.0000 176.0866 66 T 3.8668 8.2882 116.4382 66.6576 68.9301 176.3742 67 A 3.5995 8.3149 122.8770 55.0025 18.1045 177.5742 68 P 4.1575 0.0000 0.0000 66.4339 31.1980 179.5082 69 K 3.9350 7.7672 121.0272 59.0149 31.3162 179.5383 70 Y 4.8101 7.8130 114.4554 57.1459 38.0453 176.2945 71 G 4.0769 8.1195 107.0856 46.3772 0.0000 174.3309 72 I 3.8638 7.0260 120.7271 61.0234 37.3528 176.4043 73 R 4.5840 8.5436 121.5057 55.1924 32.3026 175.5984 74 G 4.1731 7.9693 106.2163 43.3763 0.0000 171.8441 75 I 4.7662 8.0850 116.5732 57.7735 40.8617 173.3924 76 P 4.8795 0.0000 0.0000 63.3820 32.9224 175.0327 77 T 5.0312 8.7278 117.1099 61.8944 72.3763 172.7078 78 L 5.1741 9.0451 126.6882 53.1206 44.0555 175.3136 79 L 4.8636 9.0468 124.8173 52.8445 44.2069 175.2635 80 L 4.7598 9.0889 127.6046 54.0433 43.6650 175.1240 81 F 5.3212 9.3543 125.4483 55.7477 42.0552 174.8940 82 K 4.8610 8.9262 121.9107 54.8405 35.6755 176.1502 83 N 4.6239 9.4638 124.9050 53.5983 37.9056 175.2432 84 G 3.9623 7.9022 101.1667 46.1705 0.0000 173.6366 85 E 4.9037 8.4832 118.8286 53.8351 33.0985 175.3824 86 V 3.2642 8.5725 123.0042 63.4449 31.8309 175.0329 87 A 4.7022 8.2982 128.0464 52.6510 21.2881 176.2590 88 A 4.5912 7.3306 113.5994 51.5597 22.2824 175.5124 89 T 5.2338 8.6383 109.7710 60.0887 72.7736 173.1388 90 K 4.4097 8.7471 122.6952 55.1679 35.8968 174.5402 91 V 4.3584 8.1609 127.4414 62.1214 33.0327 174.2249 92 G 3.6213 8.7689 113.0410 44.3617 0.0000 172.4875 93 A 4.5782 8.3607 121.9728 50.1318 20.0907 176.2834 94 L 4.8563 8.0780 123.1219 53.6336 43.1901 176.8740 95 S 4.4011 8.4605 115.6982 57.8598 65.0230 175.2421 96 K 4.0305 8.5949 122.1504 59.4535 31.7132 178.8887 97 G 3.5844 8.0031 105.7491 47.9438 0.0000 175.6937 98 Q 4.0468 8.0313 120.2947 58.2504 28.5611 178.6756 99 L 3.9768 8.1524 121.6662 58.0321 42.1269 179.0241 100 K 4.0256 8.4436 121.1264 60.1612 32.0472 179.5335 101 E 4.0620 8.4740 118.7595 61.3185 29.1696 180.6861 102 F 4.4025 8.5351 122.1615 61.1447 39.3288 177.2960 103 L 3.5223 8.2224 118.6091 57.9013 41.2382 179.3005 104 D 4.4211 8.7316 117.7014 57.0509 40.7577 178.3614 105 A 4.1318 7.8298 120.4599 53.9665 18.4366 177.6953 106 N 4.7119 7.1685 112.3972 53.3342 41.0337 174.7415 107 L 4.1949 8.0464 122.6315 54.8371 41.7648 176.3837 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 D 8.46 4.61 0.00 2.71 2.65 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 3 K 7.88 4.26 0.00 1.84 1.73 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.28 1.09 7.81 4 I 8.34 4.32 1.84 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 1.31 0.93 0.78 0.00 0.00 5 I 8.43 4.19 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 1.36 1.13 0.91 0.00 0.00 6 H 8.80 5.18 0.00 3.04 3.35 0.00 5.89 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 7 L 8.48 4.65 0.00 1.64 1.76 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.60 4.98 4.37 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 1.25 0.00 0.00 9 D 9.14 4.46 0.00 2.70 2.82 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 0.00 0.00 0.00 10 D 8.11 4.62 0.00 2.81 2.82 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 0.00 0.00 0.00 11 S 8.03 4.63 0.00 4.21 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 0.00 12 F 8.20 3.99 0.00 3.32 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 13 D 8.22 4.28 0.00 2.90 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 14 T 7.73 3.83 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 1.18 0.00 0.00 15 D 8.14 4.39 0.00 2.54 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 16 V 7.43 3.78 0.69 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 -0.27 0.00 0.00 0.34 0.00 0.00 17 L 7.39 3.76 0.00 1.95 1.70 1.12 0.70 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 18 K 7.65 4.30 0.00 1.80 1.70 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.25 7.81 19 A 7.57 4.23 1.26 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 0.00 0.00 20 D 8.17 5.45 0.00 2.74 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 21 G 7.66 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 0.00 0.00 0.00 0.00 22 A 8.55 5.17 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 23 I 8.89 4.81 1.86 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 1.01 0.65 0.86 0.00 0.00 24 L 8.93 4.70 0.00 1.80 1.55 1.08 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.97 4.75 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 0.71 0.00 0.00 1.12 0.00 0.00 26 D 9.43 5.21 0.00 2.71 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 27 F 9.49 5.23 0.00 3.14 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 28 W 8.77 5.83 0.00 3.51 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 29 A 8.66 4.14 1.10 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 0.00 0.00 0.00 30 E 9.08 4.23 0.00 2.00 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 2.23 1.88 0.00 *31 W 8.10 4.07 0.00 2.51 2.24 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 32 C 7.85 4.56 0.00 2.97 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 33 A 8.28 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 34 C 8.14 4.85 0.00 2.92 2.84 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 35 A 8.72 3.94 1.26 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 0.00 0.00 36 K 8.98 4.08 0.00 1.78 1.77 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.03 7.81 37 M 8.04 4.59 0.00 2.01 1.93 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 2.43 2.07 0.00 38 I 8.05 4.15 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 1.23 1.14 0.91 0.00 0.00 39 A 7.88 4.27 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 40 P 0.00 4.44 0.00 2.26 2.28 0.00 3.64 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 2.17 2.03 0.00 41 I 7.55 3.82 1.85 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 1.63 0.72 0.91 0.00 0.00 42 L 7.78 4.08 0.00 1.75 1.65 0.83 1.28 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 43 D 7.87 4.37 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.02 0.00 2.23 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 2.34 2.59 0.00 45 I 7.92 3.92 1.87 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.80 0.75 0.00 0.00 46 A 7.98 4.13 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 47 D 8.02 4.40 0.00 2.73 2.84 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 48 E 8.32 3.98 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 2.36 2.70 0.00 49 Y 8.51 4.40 0.00 3.15 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 50 Q 7.11 4.44 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.37 0.00 0.00 0.00 0.00 0.00 2.60 2.32 0.00 51 G 9.51 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 52 K 7.57 4.65 0.00 1.76 1.65 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.21 7.81 53 L 8.25 5.04 0.00 1.65 1.81 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.50 4.69 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 55 V 8.26 4.71 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 0.94 0.00 0.00 0.93 0.00 0.00 56 A 8.28 5.03 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 57 K 8.82 5.08 0.00 1.70 1.84 0.00 1.36 0.00 0.00 1.31 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.20 7.81 58 L 8.71 4.76 0.00 1.54 1.06 0.90 0.49 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 59 N 8.67 3.91 0.00 2.29 2.41 0.00 0.00 6.91 7.82 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 60 I 8.71 4.12 1.85 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 1.20 0.56 1.04 0.00 0.00 61 D 8.73 4.20 0.00 2.45 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 62 Q 7.90 4.41 0.00 2.42 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.22 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 63 N 7.72 5.07 0.00 2.77 3.01 0.00 0.00 6.70 7.88 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 64 P 0.00 4.69 0.00 2.14 2.20 0.00 3.33 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.89 0.00 65 G 9.14 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.29 3.87 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 0.76 0.00 0.00 67 A 8.31 3.60 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 68 P 0.00 4.16 0.00 2.10 2.07 0.00 3.58 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 2.18 2.11 0.00 69 K 7.77 3.93 0.00 1.87 1.74 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.36 7.81 70 Y 7.81 4.81 0.00 2.87 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 71 G 8.12 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 72 I 7.03 3.86 1.74 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.37 0.75 0.00 0.00 73 R 8.54 4.58 0.00 1.71 1.88 0.00 3.12 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.71 0.00 74 G 7.97 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 0.00 0.00 0.00 75 I 8.08 4.77 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.83 0.95 0.00 0.00 76 P 0.00 4.88 0.00 2.20 2.32 0.00 3.66 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 2.14 2.03 0.00 77 T 8.73 5.03 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 1.19 0.00 0.00 78 L 9.05 5.17 0.00 1.30 1.50 0.75 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 79 L 9.05 4.86 0.00 1.87 1.49 0.89 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 80 L 9.09 4.76 0.00 1.90 1.71 0.93 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 81 F 9.35 5.32 0.00 3.16 2.82 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 0.00 0.00 0.00 82 K 8.93 4.86 0.00 1.66 1.70 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.35 7.81 83 N 9.46 4.62 0.00 2.94 2.83 0.00 0.00 7.02 7.73 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 84 G 7.90 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 85 E 8.48 4.90 0.00 2.18 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 2.33 2.44 0.00 86 V 8.57 3.26 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 0.57 0.00 0.00 0.09 0.00 0.00 87 A 8.30 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 88 A 7.33 4.59 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 89 T 8.64 5.23 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 1.16 0.00 0.00 90 K 8.75 4.41 0.00 0.99 1.09 0.00 1.17 0.00 0.00 1.17 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.13 1.20 7.81 91 V 8.16 4.36 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 0.81 0.00 0.00 0.90 0.00 0.00 92 G 8.77 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.36 4.58 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 94 L 8.08 4.86 0.00 1.87 1.58 0.77 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.46 4.40 0.00 4.10 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 96 K 8.59 4.03 0.00 1.85 1.87 0.00 1.82 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.54 7.81 97 G 8.00 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 98 Q 8.03 4.05 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 99 L 8.15 3.98 0.00 1.87 1.85 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.44 4.03 0.00 2.12 1.96 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.75 1.70 7.81 101 E 8.47 4.06 0.00 1.95 1.97 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 2.25 2.20 0.00 102 F 8.54 4.40 0.00 3.00 3.31 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 0.00 103 L 8.22 3.52 0.00 1.67 1.41 0.13 1.20 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 0.00 104 D 8.73 4.42 0.00 2.64 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 0.00 105 A 7.83 4.13 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 0.00 106 N 7.17 4.71 0.00 2.13 2.64 0.00 0.00 6.99 7.73 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 0.00 107 L 8.05 4.19 0.00 1.65 1.61 0.99 0.71 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 * Residues marked with a * may have inaccurate shift predictions.