NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7975 8.3544 109.7368 45.5995 0.0000 175.5713 2 S 4.0175 8.4666 122.6297 56.8172 62.0792 171.4290 *10 Q 4.6796 9.0039 126.9715 55.8985 30.6345 174.6637 11 K 4.6880 8.3575 119.0507 54.7863 35.9847 176.0318 12 S 4.8591 8.5440 118.0575 56.9384 66.1065 173.8228 13 V 4.5317 7.9292 115.2280 59.9761 35.5229 174.0785 14 D 4.6989 8.5293 122.0410 53.3302 41.7261 176.1658 15 I 4.2391 8.2985 125.1788 59.7083 38.3398 175.0913 16 V 4.3982 8.2100 125.0355 60.8929 33.3148 174.3121 17 F 4.6658 8.9432 125.9316 55.6661 40.7963 174.8778 18 S 4.7853 8.2511 118.3868 56.5497 66.4072 173.3888 19 S 4.5110 9.3423 117.1614 56.9975 63.3223 173.9260 20 P 4.1430 0.0000 0.0000 65.9396 30.6905 176.9722 21 Q 4.2162 7.8899 117.2322 56.8553 29.5364 175.4374 22 D 4.4469 7.9436 117.6784 54.6949 41.3588 175.1398 23 L 4.8730 8.3004 124.2714 53.8333 43.3224 175.5539 24 T 4.6860 9.1577 116.8885 59.7978 71.7210 172.9932 25 V 4.6627 8.4054 124.1379 61.1013 34.4961 174.4202 26 S 4.6454 9.0149 120.9676 56.3446 65.7999 172.1585 27 L 5.1329 8.6727 128.3962 53.5231 44.1890 175.3018 28 I 4.5246 8.6580 128.9887 58.9023 38.8513 173.9798 29 P 4.8892 0.0000 0.0000 62.4773 32.5820 175.8134 30 V 4.0696 8.4168 122.0053 62.3481 32.1379 176.0196 31 S 4.5451 8.7465 123.7133 58.6251 64.3210 174.3713 32 G 3.9245 8.7589 109.3125 45.7533 0.0000 173.9097 33 L 4.0373 7.7939 119.1096 54.6374 42.1117 176.4954 34 K 4.4534 8.3520 122.0300 54.2964 33.6581 176.5135 35 A 4.1671 8.3453 126.6023 52.8916 19.4661 177.2699 36 G 3.8689 8.9469 105.2992 43.6248 0.0000 173.1424 37 K 4.6035 8.2964 118.0947 56.8210 33.2136 176.3495 38 N 5.1952 8.8219 119.5674 51.1405 43.1805 173.7006 39 A 4.4893 8.4033 121.9859 50.7147 20.0105 175.5661 40 P 4.1380 0.0000 0.0000 64.2157 31.8004 176.2990 41 S 4.0759 9.0306 114.3933 58.6831 60.5372 171.6616 42 A 4.1129 7.4148 122.3224 52.0953 19.0569 178.2426 43 K 4.6278 8.6774 122.2965 56.5275 32.4611 176.9702 44 I 4.5481 8.9076 116.3038 61.1135 40.4369 174.7705 45 A 4.9924 7.5734 122.0723 50.9259 22.6484 174.7496 46 K 4.9285 8.9733 120.4476 54.4796 35.7501 174.5144 47 L 5.0539 9.1946 129.1320 53.3015 44.4642 174.9432 48 V 4.5964 8.9419 126.3272 61.0116 34.1618 173.9954 49 V 4.5644 8.3395 127.3425 61.1519 33.9650 173.5690 50 N 5.1863 9.1996 126.4515 51.5305 41.2187 173.8381 51 S 4.9146 8.1298 113.6643 58.4187 64.7022 176.2878 52 T 4.2234 9.0506 120.7879 63.2855 67.6877 174.9193 53 T 4.3740 7.6430 109.3192 62.5843 70.4265 174.9028 54 L 4.1664 8.0146 124.3477 54.9706 43.0947 176.2003 55 K 4.4713 8.7420 124.2518 58.0897 33.9774 176.1382 56 E 5.5408 8.0373 117.1136 54.8842 34.6063 174.4319 57 F 5.5806 9.0437 115.3196 55.7610 41.8957 173.6120 58 G 5.0491 9.7330 108.2793 44.1742 0.0000 172.9290 59 V 5.7086 8.8225 120.0821 60.3516 34.6830 174.5363 60 R 4.6248 9.1539 121.5663 54.5048 34.5970 174.8102 61 G 2.3486 8.3214 109.7786 44.9708 0.0000 173.1904 62 I 4.5017 7.2485 121.2807 59.3193 40.5293 175.1936 63 S 4.4913 8.0526 119.7534 57.8366 65.2345 173.9557 64 N 4.6392 8.6847 116.0076 54.4372 38.4724 176.0379 65 N 4.8803 8.3285 118.0558 52.3111 39.8783 171.4334 66 V 4.3966 7.9383 121.3376 61.6286 32.6952 176.0161 67 V 4.3503 8.7163 119.7157 61.0047 32.0549 174.6624 68 D 4.8471 7.5329 119.2103 51.3839 42.5096 176.1688 69 S 4.0028 8.6406 113.9775 61.0533 62.4108 174.6307 70 T 4.4220 7.3603 107.1416 59.9954 69.1806 174.6519 71 G 3.7426 7.8122 110.8182 47.1535 0.0000 175.1867 72 T 4.6036 8.4919 108.4524 61.3396 69.6464 173.7323 73 A 5.3125 7.9164 121.2830 50.8222 23.1359 175.3414 74 W 5.4423 8.7060 117.6207 56.1468 32.1307 173.1352 75 R 5.1080 9.1433 118.7728 54.3890 33.0708 175.8201 76 V 4.6614 8.5966 120.7906 61.1809 34.9741 174.1792 77 A 5.1473 8.8008 128.9678 50.6237 20.4700 177.2188 78 G 3.0571 9.1491 109.3079 45.8151 0.0000 175.0885 79 K 4.0157 8.4618 123.6138 59.1510 32.4351 178.3262 80 N 4.5431 8.6725 115.3567 55.1158 38.9160 176.1719 81 T 4.2611 8.4585 106.0152 60.6812 69.9938 175.8389 82 G 3.9690 8.1180 109.6817 45.3460 0.0000 174.0527 83 K 4.2541 7.7985 119.9239 56.6436 33.1103 176.1356 84 E 5.4024 8.7907 122.9249 54.9022 32.1118 175.1836 85 I 4.5654 8.4080 114.6378 59.0590 41.5589 174.2618 86 G 4.2728 9.1086 111.6006 45.0157 0.0000 173.2241 87 V 5.2210 8.4226 117.8764 57.5971 36.5334 174.8376 88 G 3.8148 7.3697 108.6579 45.8204 0.0000 171.7228 89 L 4.8493 8.3294 120.6642 54.4599 42.1928 178.3270 90 S 4.3268 8.6852 117.3542 57.8322 64.2192 175.2181 91 S 4.0884 8.8038 115.7972 61.9736 61.7931 176.2624 92 D 4.4145 8.0282 119.5307 57.5025 40.9069 178.5789 93 S 4.3509 8.1320 115.6508 61.6368 62.8845 176.6333 94 L 4.2850 8.4292 122.1031 58.0216 41.1593 179.7188 95 R 4.1171 8.0631 116.5928 58.3793 30.0635 178.1976 96 R 4.3004 7.7862 116.2264 55.6481 30.7623 176.6773 97 S 3.4911 7.2683 114.2658 58.3068 63.0644 173.5570 98 D 4.6149 8.4905 127.3404 56.5835 41.2525 176.4720 99 S 4.4928 7.7064 110.4944 57.8818 67.1796 172.8200 100 T 4.8162 8.2910 116.0877 62.0053 70.4814 173.6752 101 E 4.5848 8.7321 125.8994 54.1111 33.6062 174.8648 102 K 4.7987 8.2814 121.0639 54.5973 34.7768 175.1066 103 W 4.9363 8.8389 127.5186 56.2296 31.7144 175.6835 104 N 4.2128 10.0956 121.7235 54.5612 35.5632 174.8289 105 G 3.9828 8.3871 100.4989 45.9724 0.0000 173.0786 106 V 4.4684 7.7537 118.7494 60.7385 35.0445 174.2054 107 N 5.1444 8.5498 124.5363 52.5128 40.0848 173.9947 108 W 4.7663 9.2801 123.3667 55.0164 33.1145 174.2673 109 M 4.8052 8.6906 123.1413 54.3668 33.6768 175.2085 110 T 4.9378 8.4113 113.3178 60.3087 71.8558 173.4567 111 F 4.8625 8.6800 120.7506 55.5318 44.1861 173.7877 112 N 5.1212 8.6955 118.3994 53.0156 39.6161 175.2492 113 S 4.9635 8.4644 117.6212 59.9142 63.5209 174.2325 114 N 4.7172 8.6040 117.4367 53.4804 37.8729 174.7221 115 D 4.7565 7.8569 117.9680 53.5757 41.7321 175.9737 116 T 4.7176 8.3568 114.3329 60.6996 70.8690 173.9790 117 L 4.8476 8.7074 122.8510 53.1435 45.4954 175.0531 118 D 5.1801 9.0168 123.1214 53.1775 42.9809 175.3862 119 I 4.8384 8.8684 124.4847 59.9744 39.5388 175.3197 120 V 4.8334 8.6234 118.9747 59.3280 37.1009 174.4624 121 L 4.4007 8.4923 122.2088 54.6626 42.0261 177.6733 122 T 4.1613 8.4128 115.2876 61.5458 69.8448 176.4032 123 G 3.7045 8.5152 109.7517 45.3129 0.0000 171.4370 124 P 4.5157 0.0000 0.0000 62.1974 32.3727 176.4326 125 A 3.9944 8.4902 121.5330 53.1596 18.7648 176.9256 126 Q 4.5690 8.1945 119.6369 54.0440 31.8481 174.6058 127 N 4.8493 8.6065 121.6215 52.3319 40.4218 173.2919 128 V 4.4642 8.5521 128.0571 61.6538 33.2223 175.2483 129 T 4.4563 8.6346 124.7679 62.9128 69.3196 174.4002 130 A 3.9651 8.7767 128.9431 53.0013 18.6884 176.0974 131 D 4.2963 7.8975 121.3244 54.6854 44.5584 174.7319 132 T 4.6029 7.4909 115.9684 61.8149 71.2495 173.5452 133 Y 4.9091 8.5363 123.0389 55.3332 40.5319 173.5305 134 P 4.5291 0.0000 0.0000 62.1669 32.3680 175.8527 135 I 4.8237 8.3183 115.0424 59.2612 40.3222 174.6935 136 T 4.7034 8.4921 118.2682 61.8263 72.0288 172.4972 137 L 4.9965 8.6769 125.8346 52.8630 44.5684 175.1158 138 D 4.9356 9.3220 124.0247 52.5967 43.1820 174.9076 139 V 5.1962 8.5506 125.5431 61.1638 34.1455 174.6313 140 V 4.3715 8.9218 127.0848 60.5912 34.3633 174.8845 141 G 4.0405 8.8774 115.4505 46.8027 0.0000 171.6974 142 Y 4.5968 8.9004 128.6629 56.4622 40.0527 176.2264 *143 Q 4.1503 8.6058 124.0785 55.3107 28.9753 171.3307 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 G 8.35 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.47 4.02 0.00 3.95 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 *10 Q 9.00 4.68 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.47 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 11 K 8.36 4.69 0.00 1.68 1.65 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.38 7.81 12 S 8.54 4.86 0.00 3.81 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 13 V 7.93 4.53 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 0.71 0.00 0.00 0.94 0.00 0.00 14 D 8.53 4.70 0.00 2.66 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 15 I 8.30 4.24 1.99 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 1.34 0.86 0.97 0.00 0.00 16 V 8.21 4.40 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 0.85 0.00 0.00 0.93 0.00 0.00 17 F 8.94 4.67 0.00 3.02 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 18 S 8.25 4.79 0.00 4.14 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 19 S 9.34 4.51 0.00 3.93 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 20 P 0.00 4.14 0.00 2.17 2.23 0.00 3.77 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 2.00 0.00 21 Q 7.89 4.22 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.02 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 22 D 7.94 4.45 0.00 2.80 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 23 L 8.30 4.87 0.00 1.62 1.55 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 24 T 9.16 4.69 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 1.20 0.00 0.00 25 V 8.41 4.66 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 0.72 0.00 0.00 0.81 0.00 0.00 26 S 9.01 4.65 0.00 3.84 3.59 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 27 L 8.67 5.13 0.00 1.64 1.53 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.66 4.52 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 1.28 0.82 0.91 0.00 0.00 29 P 0.00 4.89 0.00 2.09 2.07 0.00 3.76 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 1.99 1.98 0.00 30 V 8.42 4.07 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 0.76 0.00 0.00 0.95 0.00 0.00 31 S 8.75 4.55 0.00 3.90 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 32 G 8.76 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 33 L 7.79 4.04 0.00 1.66 1.62 0.96 0.88 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 34 K 8.35 4.45 0.00 1.70 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.47 7.81 35 A 8.35 4.17 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 36 G 8.95 3.87 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 0.00 0.00 0.00 37 K 8.30 4.60 0.00 1.64 1.74 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.47 7.81 38 N 8.82 5.20 0.00 2.70 2.60 0.00 0.00 6.88 7.70 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 39 A 8.40 4.49 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 40 P 0.00 4.14 0.00 2.16 2.04 0.00 3.89 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 41 S 9.03 4.08 0.00 4.01 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 42 A 7.41 4.11 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 43 K 8.68 4.63 0.00 1.64 1.74 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.42 7.81 44 I 8.91 4.55 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.12 0.88 0.00 0.00 45 A 7.57 4.99 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 46 K 8.97 4.93 0.00 1.79 1.61 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.34 7.81 47 L 9.19 5.05 0.00 1.75 1.48 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.94 4.60 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 1.02 0.00 0.00 0.92 0.00 0.00 49 V 8.34 4.56 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 0.66 0.00 0.00 -0.01 0.00 0.00 50 N 9.20 5.19 0.00 2.68 2.65 0.00 0.00 6.07 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 51 S 8.13 4.91 0.00 3.82 3.70 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 52 T 9.05 4.22 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 1.26 0.00 0.00 53 T 7.64 4.37 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 54 L 8.01 4.17 0.00 1.63 1.66 0.98 1.06 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 55 K 8.74 4.47 0.00 1.73 1.83 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.45 7.81 56 E 8.04 5.54 0.00 2.07 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 2.48 2.34 0.00 57 F 9.04 5.58 0.00 3.30 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 58 G 9.73 5.05 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 59 V 8.82 5.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.08 0.00 0.00 60 R 9.15 4.62 0.00 1.12 1.26 0.00 2.21 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.00 61 G 8.32 2.35 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 0.00 62 I 7.25 4.50 1.68 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 1.04 0.42 0.80 0.00 0.00 63 S 8.05 4.49 0.00 4.08 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 64 N 8.68 4.64 0.00 2.77 2.92 0.00 0.00 6.52 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.33 4.88 0.00 2.74 2.70 0.00 0.00 6.74 7.23 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 66 V 7.94 4.40 2.04 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 0.88 0.00 0.00 0.81 0.00 0.00 67 V 8.72 4.35 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 0.87 0.00 0.00 1.02 0.00 0.00 68 D 7.53 4.85 0.00 2.79 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 69 S 8.64 4.00 0.00 3.81 3.89 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 70 T 7.36 4.42 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 1.14 0.00 0.00 71 G 7.81 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.49 4.60 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 1.35 0.00 0.00 73 A 7.92 5.31 1.24 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 0.00 0.00 74 W 8.71 5.44 0.00 3.49 3.17 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 75 R 9.14 5.11 0.00 1.70 1.85 0.00 3.09 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 76 V 8.60 4.66 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 1.25 0.00 0.00 1.21 0.00 0.00 77 A 8.80 5.15 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 78 G 9.15 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 0.00 0.00 0.00 79 K 8.46 4.02 0.00 1.63 1.83 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 80 N 8.67 4.54 0.00 2.77 2.82 0.00 0.00 6.95 7.29 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 81 T 8.46 4.26 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 1.20 0.00 0.00 82 G 8.12 3.97 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 0.00 0.00 0.00 83 K 7.80 4.25 0.00 1.85 1.83 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.61 7.81 84 E 8.79 5.40 0.00 1.86 1.87 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 2.29 2.33 0.00 85 I 8.41 4.57 1.54 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.65 0.29 0.00 0.00 86 G 9.11 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 0.00 0.00 0.00 0.00 87 V 8.42 5.22 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 0.30 0.00 0.00 -0.30 0.00 0.00 88 G 7.37 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 0.00 0.00 0.00 89 L 8.33 4.85 0.00 1.63 1.67 1.11 0.66 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 90 S 8.69 4.33 0.00 4.01 3.97 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 91 S 8.80 4.09 0.00 3.91 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 92 D 8.03 4.41 0.00 2.70 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.13 4.35 0.00 4.06 3.90 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 94 L 8.43 4.28 0.00 1.89 1.79 0.96 0.97 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 95 R 8.06 4.12 0.00 1.99 2.02 0.00 3.16 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.00 0.00 96 R 7.79 4.30 0.00 2.20 2.12 0.00 3.43 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 97 S 7.27 3.49 0.00 3.35 3.53 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 98 D 8.49 4.61 0.00 2.43 2.67 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 99 S 7.71 4.49 0.00 3.91 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 0.00 100 T 8.29 4.82 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 1.14 0.00 0.00 101 E 8.73 4.58 0.00 1.34 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 2.32 2.24 0.00 102 K 8.28 4.80 0.00 1.79 1.66 0.00 1.73 0.00 0.00 1.90 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.63 7.81 103 W 8.84 4.94 0.00 3.47 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 0.00 104 N 10.10 4.21 0.00 3.00 2.95 0.00 0.00 7.12 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 0.00 105 G 8.39 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 0.00 106 V 7.75 4.47 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 0.63 0.00 0.00 0.98 0.00 0.00 107 N 8.55 5.14 0.00 2.75 2.60 0.00 0.00 6.90 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 0.00 108 W 9.28 4.77 0.00 2.04 2.62 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 0.00 109 M 8.69 4.81 0.00 1.74 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 110 T 8.41 4.94 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 0.87 0.00 0.00 111 F 8.68 4.86 0.00 1.54 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.70 5.12 0.00 2.74 2.80 0.00 0.00 6.62 7.07 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 0.00 113 S 8.46 4.96 0.00 4.04 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 0.00 114 N 8.60 4.72 0.00 2.82 3.17 0.00 0.00 6.97 7.94 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 0.00 115 D 7.86 4.76 0.00 3.08 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 4.72 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 0.00 117 L 8.71 4.85 0.00 1.52 1.44 0.33 0.78 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 0.00 118 D 9.02 5.18 0.00 2.57 2.56 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 0.00 119 I 8.87 4.84 1.86 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.04 0.83 0.00 0.00 120 V 8.62 4.83 2.14 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 0.71 0.00 0.00 0.91 0.00 0.00 121 L 8.49 4.40 0.00 1.52 1.50 0.82 0.50 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 0.00 122 T 8.41 4.16 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 1.14 0.00 0.00 123 G 8.52 3.70 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 0.00 0.00 0.00 124 P 0.00 4.52 0.00 2.06 2.05 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 125 A 8.49 3.99 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 0.00 126 Q 8.19 4.57 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 127 N 8.61 4.85 0.00 2.74 2.70 0.00 0.00 6.70 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 0.00 128 V 8.55 4.46 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 0.80 0.00 0.00 0.81 0.00 0.00 129 T 8.63 4.46 4.36 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 1.25 0.00 0.00 130 A 8.78 3.97 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 0.00 131 D 7.90 4.30 0.00 2.63 1.86 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 0.00 132 T 7.49 4.60 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 1.20 0.00 0.00 133 Y 8.54 4.91 0.00 2.80 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 0.00 134 P 0.00 4.53 0.00 2.23 2.09 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 135 I 8.32 4.82 2.21 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 1.52 0.87 1.08 0.00 0.00 136 T 8.49 4.70 4.35 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 1.18 0.00 0.00 137 L 8.68 5.00 0.00 1.52 1.58 1.09 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 138 D 9.32 4.94 0.00 2.76 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 0.00 139 V 8.55 5.20 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 0.68 0.00 0.00 0.85 0.00 0.00 140 V 8.92 4.37 1.65 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 0.46 0.00 0.00 0.83 0.00 0.00 141 G 8.88 4.04 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 0.00 0.00 0.00 142 Y 8.90 4.60 0.00 3.08 2.99 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 *143 Q 8.61 4.15 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.42 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.