NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5649 8.1933 115.4343 57.7564 64.4293 174.5321 1 L 3.9900 8.5115 120.9035 57.1477 41.7836 177.2540 2 Y 4.3061 8.4943 118.9933 60.0868 40.1187 175.0799 3 D 4.9412 8.4916 120.6852 51.1597 41.2816 173.6218 4 P 4.5527 0.0000 0.0000 63.7635 31.9444 177.1107 5 A 4.9897 8.2472 120.4722 51.7796 19.4551 178.4372 6 E 4.4109 8.8394 117.8414 59.1820 29.5364 179.2568 7 K 4.2956 8.1239 116.2673 58.4903 32.9417 177.2015 8 Y 4.0977 8.3551 117.1522 59.3728 38.0960 175.3931 9 F 4.9820 8.0948 118.0343 55.6977 41.7847 174.6604 10 N 5.0589 8.6483 118.5917 52.4712 38.0592 174.1462 11 C 4.4752 8.0524 113.8235 57.7616 31.1112 173.6305 12 T 4.2473 8.5223 111.1908 61.4558 70.4981 175.3725 13 D 4.4925 8.6145 121.5256 57.5744 40.8781 178.9036 14 I 3.8902 7.7859 118.8205 63.9413 38.1099 177.7928 15 Q 4.1511 7.9562 119.1019 58.8466 28.4794 178.5803 16 R 3.6975 8.1328 119.5505 59.3166 30.0063 178.3634 17 A 3.9293 8.0226 120.4669 55.2680 18.3408 179.6352 18 F 3.9936 8.4057 116.2644 60.4865 38.9411 177.6947 19 F 4.3248 8.4901 120.3160 61.5617 39.2520 177.1291 20 E 3.7858 8.4956 118.0923 59.1520 29.1849 179.2133 21 A 4.0378 8.1224 121.1501 54.9016 18.3277 179.8228 22 G 3.5558 8.0495 104.2517 48.0161 0.0000 175.7606 23 I 3.5633 7.3634 122.5992 64.0544 37.0822 178.7195 24 K 3.9724 7.8933 119.0611 59.3544 31.8648 179.5406 25 L 4.0861 8.0083 119.4297 57.6669 41.6041 179.6206 26 G 3.7324 8.3441 105.6913 47.8258 0.0000 175.4324 27 A 4.0051 8.3398 123.8222 54.9045 18.4366 179.7939 28 I 3.9103 8.0080 118.3470 64.5412 36.7476 178.3885 29 F 4.0537 8.3822 121.4009 61.7681 39.0636 176.6732 30 H 4.3505 8.1586 113.4150 57.6106 28.7183 176.9601 31 Q 3.9174 7.9797 121.0646 58.1699 29.2344 176.3720 32 Y 4.5868 7.6686 116.5109 57.7217 39.0598 176.1166 33 T 3.9439 6.6598 109.2077 63.1720 69.0651 174.3745 34 G 4.0028 8.9510 113.6060 45.0104 0.0000 174.0314 35 I 3.9818 7.4360 114.0492 60.1935 38.8459 173.9714 36 P 5.1287 0.0000 0.0000 62.9440 31.9324 176.1840 37 V 4.9356 9.5043 117.5146 60.0838 36.0944 174.9615 38 N 5.2758 9.4102 120.3725 51.9956 39.7969 174.7821 39 S 4.1595 8.7593 111.3667 61.8224 63.3323 175.3769 40 E 4.0947 8.5061 120.6700 58.6792 29.3418 177.4308 41 N 4.8804 8.1402 112.7138 52.3190 38.2498 175.9066 42 A 3.9576 7.9549 122.3659 55.9085 18.3878 180.4042 43 S 4.1992 8.0189 113.0126 61.8946 62.9725 176.4134 44 M 3.9869 8.0880 120.1522 58.5975 31.9983 177.9966 45 A 4.0374 8.4077 121.1644 55.2024 18.5618 179.2059 46 E 3.8442 8.3268 117.3457 59.8206 29.5136 179.4581 47 E 4.1770 8.3744 120.5601 58.5576 29.5707 178.6244 48 F 4.1722 8.3246 120.8297 61.3222 39.4464 177.1909 49 I 2.9283 7.5907 119.3820 63.9947 36.2653 178.2276 50 E 3.8268 8.0889 119.3735 59.6325 29.5194 179.7747 51 R 3.8937 8.0586 118.2411 59.2997 29.8557 179.3918 52 S 4.0834 7.6293 114.4568 61.6295 63.0133 176.5268 53 T 4.0112 7.9522 118.7194 66.7023 67.9536 176.7709 54 M 4.1216 7.9417 120.0590 57.8547 32.0059 178.0608 55 I 3.9596 7.0892 110.2629 61.4983 38.5288 176.1898 56 Q 4.2542 7.3331 120.6143 54.1978 29.6891 173.4723 57 P 3.6955 0.0000 0.0000 63.7933 31.8095 176.8880 58 F 4.0512 8.2447 119.1925 57.9877 36.3698 174.3264 59 V 4.3587 7.2692 120.1759 62.3500 31.5735 175.0160 60 E 4.4311 9.2153 129.2540 58.0595 30.7932 175.6019 61 N 5.0483 7.7415 115.5941 52.3728 42.7200 173.4088 62 V 4.9502 8.1914 123.0940 61.3799 35.0393 174.3135 63 R 4.8060 9.1240 126.1533 54.4961 33.3880 174.2605 64 I 4.9141 9.2003 125.2975 59.5680 39.7654 175.3612 65 S 4.8553 9.4222 122.3049 56.8089 66.2803 172.9919 66 I 4.8322 9.4831 126.4956 59.9730 38.0959 175.0896 67 N 4.8078 9.1877 125.1172 51.5002 40.8299 174.5144 68 N 4.1546 8.4407 114.5705 54.5069 36.0107 175.5412 69 V 3.7585 7.5465 110.1991 61.1904 32.8009 176.1164 *76 Y 4.3903 8.1448 121.2790 58.1952 38.7997 174.9167 77 S 4.8593 8.7071 116.6557 57.8719 63.6856 172.8459 78 Y 5.0811 7.6092 117.4333 57.4359 40.7973 172.7757 79 S 4.1780 8.9326 113.6043 56.5330 67.1635 173.2925 80 S 4.7706 8.2781 116.7069 57.8875 63.7603 174.0097 81 L 4.0692 9.1738 127.5061 55.6882 42.9951 175.8219 82 N 5.2027 8.5039 123.7234 50.5232 40.2630 175.4823 83 E 4.1733 8.7003 116.2947 59.0888 29.7294 178.4402 84 K 3.5020 7.9491 118.2169 58.2778 32.5834 177.8189 85 M 4.2602 8.0525 118.4378 56.5720 32.6282 175.5286 86 L 4.6867 7.7878 120.9517 54.3260 43.1945 175.4489 87 H 5.2767 9.6665 126.4980 54.3446 32.8156 172.2522 88 A 5.1478 8.6900 126.0250 50.2125 22.9718 174.5869 89 E 4.8664 9.2912 120.1342 54.5474 33.4699 175.0241 90 V 4.5857 8.9411 125.2231 60.9004 34.6512 173.9161 91 L 4.8551 9.1191 131.4283 54.0790 43.3908 175.0979 92 I 4.8319 8.6571 128.2591 60.0401 39.3643 174.6232 93 N 5.1674 9.4377 125.0462 52.2055 41.3435 173.0013 94 Y 4.4019 8.7670 128.6193 56.4370 40.0152 175.3008 95 N 3.9643 9.2196 126.6914 54.2939 36.6507 175.9699 96 G 3.9154 8.2288 105.5940 45.3838 0.0000 174.3413 97 K 4.3480 7.9136 120.6395 55.2849 33.0742 175.5534 98 K 5.1998 8.5113 122.8545 54.5236 35.3284 175.2145 99 V 4.4715 8.4208 123.9807 60.8982 35.0873 173.7659 100 L 4.7216 8.7889 130.7613 53.8008 43.3352 175.2050 101 G 4.1659 9.0088 115.3149 45.0859 0.0000 172.0809 102 V 4.7435 8.5811 124.1807 60.6424 35.0574 173.6687 103 L 5.0687 8.5913 130.0177 53.4104 44.3478 174.6711 104 N 5.3479 9.1073 124.8084 52.3597 42.7320 172.6230 105 Y 4.4813 8.9890 128.1047 57.8154 40.4246 173.6920 106 D 4.6315 8.6675 127.9662 52.7664 41.5998 176.9126 107 E 4.2211 9.0028 126.8528 58.9293 30.0712 179.2371 108 G 3.6916 8.2720 107.3938 48.5184 0.0000 174.8388 109 L 4.0383 8.2078 118.3260 54.4995 42.3268 176.0965 110 D 4.3071 7.6900 116.6375 53.6713 40.0151 172.6119 111 Y 4.7042 6.3435 118.3072 55.5929 42.9545 172.6397 112 P 4.8599 0.0000 0.0000 62.0243 31.0061 174.9736 113 V 4.0251 8.5405 127.6292 63.5255 32.8751 174.1504 114 M 5.2648 8.8215 127.4333 53.8268 34.0635 174.5467 115 Y 5.1753 8.9117 121.0329 55.6811 42.4721 173.7126 116 A 5.5409 8.5128 119.1163 51.1533 22.4324 175.9006 117 K 4.8584 8.4144 118.7443 54.2855 36.7957 175.5027 118 E 4.3166 9.2591 125.5707 56.8532 30.0999 176.0752 119 V 4.6125 8.5762 119.1228 59.4555 36.1660 175.8453 120 L 4.2256 8.3630 120.2603 55.1539 41.7123 177.0219 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 8.19 4.56 0.00 4.14 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 1 L 8.51 3.99 0.00 1.82 1.84 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 2 Y 8.49 4.31 0.00 2.92 3.04 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 3 D 8.49 4.94 0.00 3.01 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 4 P 0.00 4.55 0.00 2.16 2.19 0.00 3.83 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 5 A 8.25 4.99 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 0.00 0.00 0.00 0.00 0.00 6 E 8.84 4.41 0.00 2.37 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 2.53 2.36 0.00 7 K 8.12 4.30 0.00 1.81 2.00 0.00 1.01 0.00 0.00 1.49 0.00 0.00 2.80 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.39 1.55 7.81 8 Y 8.36 4.10 0.00 2.90 2.53 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 0.00 0.00 0.00 9 F 8.09 4.98 0.00 2.98 2.88 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 0.00 0.00 0.00 10 N 8.65 5.06 0.00 2.78 2.86 0.00 0.00 6.11 7.68 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 11 C 8.05 4.48 0.00 3.34 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 12 T 8.52 4.25 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 1.23 0.00 0.00 13 D 8.61 4.49 0.00 2.78 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 14 I 7.79 3.89 1.96 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 1.86 1.60 1.01 0.00 0.00 15 Q 7.96 4.15 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 16 R 8.13 3.70 0.00 1.41 1.63 0.00 2.73 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 17 A 8.02 3.93 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 18 F 8.41 3.99 0.00 3.28 3.14 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 0.00 19 F 8.49 4.32 0.00 3.21 3.28 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 20 E 8.50 3.79 0.00 2.13 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 2.48 2.37 0.00 21 A 8.12 4.04 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 22 G 8.05 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.36 3.56 1.81 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.13 0.81 0.00 0.00 24 K 7.89 3.97 0.00 1.82 1.83 0.00 1.51 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.50 7.81 25 L 8.01 4.09 0.00 1.69 1.70 0.88 0.92 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 26 G 8.34 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 0.00 0.00 0.00 27 A 8.34 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.01 3.91 1.97 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 1.55 0.80 1.02 0.00 0.00 29 F 8.38 4.05 0.00 3.14 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 30 H 8.16 4.35 0.00 3.34 3.36 0.00 5.70 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 7.98 3.92 0.00 1.80 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 1.69 1.35 0.00 32 Y 7.67 4.59 0.00 3.17 2.94 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 33 T 6.66 3.94 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 0.62 0.00 0.00 34 G 8.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.44 3.98 1.94 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 1.47 1.06 1.08 0.00 0.00 36 P 0.00 5.13 0.00 1.89 2.03 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.11 0.00 37 V 9.50 4.94 2.12 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 0.78 0.00 0.00 0.99 0.00 0.00 38 N 9.41 5.28 0.00 2.93 3.10 0.00 0.00 6.64 8.38 0.00 0.00 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 S 8.76 4.16 0.00 4.01 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 40 E 8.51 4.09 0.00 2.20 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 0.00 2.35 2.26 0.00 41 N 8.14 4.88 0.00 2.82 2.98 0.00 0.00 6.12 7.83 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 42 A 7.95 3.96 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 43 S 8.02 4.20 0.00 3.88 3.93 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 44 M 8.09 3.99 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 45 A 8.41 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.33 3.84 0.00 2.15 2.12 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 2.32 2.53 0.00 47 E 8.37 4.18 0.00 2.18 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 2.31 2.17 0.00 48 F 8.32 4.17 0.00 3.18 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 49 I 7.59 2.93 1.53 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.09 0.41 0.00 0.00 50 E 8.09 3.83 0.00 2.09 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 2.37 2.42 0.00 51 R 8.06 3.89 0.00 1.74 1.93 0.00 3.13 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.88 0.00 52 S 7.63 4.08 0.00 3.37 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.95 4.01 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 1.18 0.00 0.00 54 M 7.94 4.12 0.00 1.95 2.26 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.77 0.00 55 I 7.09 3.96 1.83 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 1.71 0.48 0.92 0.00 0.00 56 Q 7.33 4.25 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 57 P 0.00 3.70 0.00 1.32 0.89 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 1.81 1.83 0.00 58 F 8.24 4.05 0.00 3.32 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 7.27 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 0.70 0.00 0.00 0.97 0.00 0.00 60 E 9.22 4.43 0.00 2.00 1.95 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 2.27 2.26 0.00 61 N 7.74 5.05 0.00 2.76 2.56 0.00 0.00 6.57 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 62 V 8.19 4.95 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 0.85 0.00 0.00 0.89 0.00 0.00 63 R 9.12 4.81 0.00 1.75 1.77 0.00 3.13 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 64 I 9.20 4.91 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.71 0.85 0.00 0.00 65 S 9.42 4.86 0.00 3.72 3.72 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 66 I 9.48 4.83 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 0.57 0.92 0.00 0.00 67 N 9.19 4.81 0.00 2.56 2.74 0.00 0.00 7.09 7.87 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 68 N 8.44 4.15 0.00 2.84 2.86 0.00 0.00 6.99 7.68 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 69 V 7.55 3.76 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 0.74 0.00 0.00 0.94 0.00 0.00 *76 Y 8.14 4.39 0.00 2.91 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 77 S 8.71 4.86 0.00 4.03 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 78 Y 7.61 5.08 0.00 3.13 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 79 S 8.93 4.18 0.00 3.68 3.76 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 80 S 8.28 4.77 0.00 3.71 3.81 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 0.00 0.00 0.00 81 L 9.17 4.07 0.00 1.83 1.57 0.92 0.54 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 82 N 8.50 5.20 0.00 2.76 2.83 0.00 0.00 5.96 7.66 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 83 E 8.70 4.17 0.00 2.47 2.36 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 2.22 2.21 0.00 84 K 7.95 3.50 0.00 1.63 1.53 0.00 1.47 0.00 0.00 1.41 0.00 0.00 2.72 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.30 0.90 7.81 85 M 8.05 4.26 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.56 0.00 86 L 7.79 4.69 0.00 1.64 1.62 0.93 0.93 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 87 H 9.67 5.28 0.00 3.27 3.27 0.00 5.77 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 88 A 8.69 5.15 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 89 E 9.29 4.87 0.00 1.84 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 2.15 2.24 0.00 90 V 8.94 4.59 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 0.86 0.00 0.00 0.89 0.00 0.00 91 L 9.12 4.86 0.00 1.73 1.71 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.66 4.83 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.87 1.00 0.00 0.00 93 N 9.44 5.17 0.00 2.84 2.77 0.00 0.00 6.95 7.47 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 94 Y 8.77 4.40 0.00 2.75 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 95 N 9.22 3.96 0.00 2.66 2.76 0.00 0.00 7.13 7.48 0.00 0.00 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 G 8.23 3.92 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 0.00 0.00 0.00 97 K 7.91 4.35 0.00 1.97 1.78 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.60 7.81 98 K 8.51 5.20 0.00 1.85 1.65 0.00 1.60 0.00 0.00 1.83 0.00 0.00 2.75 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.39 7.81 99 V 8.42 4.47 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 0.40 0.00 0.00 0.02 0.00 0.00 100 L 8.79 4.72 0.00 1.75 1.48 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 101 G 9.01 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 0.00 102 V 8.58 4.74 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.66 0.00 0.00 103 L 8.59 5.07 0.00 1.76 1.46 0.98 0.77 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 0.00 104 N 9.11 5.35 0.00 3.00 2.80 0.00 0.00 6.41 7.52 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 0.00 105 Y 8.99 4.48 0.00 3.36 2.91 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 0.00 106 D 8.67 4.63 0.00 2.65 2.51 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 0.00 107 E 9.00 4.22 0.00 2.07 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 0.00 2.57 2.38 0.00 108 G 8.27 3.69 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 0.00 0.00 0.00 109 L 8.21 4.04 0.00 1.59 1.67 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 110 D 7.69 4.31 0.00 2.86 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 0.00 111 Y 6.34 4.70 0.00 2.96 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 0.00 112 P 0.00 4.86 0.00 1.73 2.25 0.00 2.27 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 1.30 2.13 0.00 113 V 8.54 4.03 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 1.15 0.00 0.00 1.03 0.00 0.00 114 M 8.82 5.26 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 115 Y 8.91 5.18 0.00 3.07 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 0.00 116 A 8.51 5.54 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 0.00 117 K 8.41 4.86 0.00 1.75 1.74 0.00 1.83 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.68 7.81 118 E 9.26 4.32 0.00 2.17 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 2.33 2.51 0.00 119 V 8.58 4.61 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 0.90 0.00 0.00 120 L 8.36 4.23 0.00 1.63 1.57 0.93 0.82 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 * Residues marked with a * may have inaccurate shift predictions.