NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.2925 8.1749 117.3742 63.3216 69.8550 172.7958 6 L 4.4570 8.3920 126.5015 51.7281 43.1956 175.5493 7 D 4.7817 9.0224 124.8615 52.0696 43.8370 176.9253 8 K 3.9555 8.4835 117.8116 60.0447 32.0092 179.2666 9 T 4.1122 8.5505 109.7984 64.2239 68.4077 176.7246 10 D 4.3867 8.2487 121.7687 57.3050 40.8072 178.5481 11 I 3.7940 7.7548 120.2263 64.1710 37.2141 178.3219 12 K 3.9262 7.9962 120.3980 59.4707 31.9022 178.7500 13 I 3.7063 7.6320 119.5999 64.5173 37.0668 178.3035 14 L 4.0138 7.6187 118.6696 57.8998 41.1264 179.6546 15 Q 4.0002 8.2245 118.0569 58.8754 28.6515 179.0513 16 V 3.5177 8.2897 119.4620 66.1972 31.1535 178.1892 17 L 4.3084 8.2636 118.9682 57.7958 41.2155 179.2828 18 Q 4.0946 8.0810 117.4139 58.8883 28.6517 178.6117 19 E 4.2962 7.6232 118.0958 57.8411 31.3678 177.5796 20 N 4.7923 8.3151 119.1488 51.6411 37.2782 176.1831 21 G 3.9178 8.0749 107.3895 47.2290 0.0000 171.8609 22 R 4.4555 7.2557 118.1997 55.6958 30.3674 175.7213 23 L 4.3292 7.7244 115.6846 54.0859 42.3606 177.8414 24 T 4.0671 8.7689 113.0860 61.5313 70.7180 175.2527 25 N 4.2206 8.6544 120.4672 56.8739 38.9314 177.4534 26 V 3.6406 7.9098 120.7464 65.3383 31.6354 177.3801 27 E 4.1955 8.2826 115.1786 57.9119 29.9930 178.2860 28 L 4.1104 8.1029 122.7514 58.2533 42.0030 178.7543 29 S 4.1529 8.2665 114.4128 61.4191 62.6279 175.9982 30 E 4.0652 8.0844 122.0970 58.4222 29.3396 177.9678 31 R 4.5876 7.4947 115.7606 55.8087 30.4087 176.8884 32 V 4.3185 6.9629 108.7084 60.0599 33.8022 175.0121 33 A 3.7835 8.1904 120.6658 53.0989 15.7142 177.6640 34 L 4.8414 7.6129 118.1825 53.0867 46.4178 177.7487 35 S 4.5444 8.4330 116.0108 57.2381 65.6579 173.2986 36 P 4.1192 0.0000 0.0000 66.1313 31.1220 178.4372 37 S 4.0596 8.0324 110.8468 61.0956 62.3984 174.1610 38 P 4.2260 0.0000 0.0000 65.9431 31.1476 177.9931 39 C 4.0453 7.9165 116.7226 62.5440 31.4002 175.4263 40 L 3.9932 8.1652 121.9014 57.8381 41.5408 179.0969 41 R 3.8474 7.7677 118.4314 59.5770 30.2980 178.7224 42 R 3.9294 8.1650 117.7818 58.8607 30.0202 178.8946 43 L 4.1122 7.9200 120.3900 57.6646 42.2209 178.3591 44 K 3.8437 7.9466 119.6792 59.8936 32.0104 178.4683 45 Q 4.0172 8.2294 117.9685 59.1775 28.6160 179.0119 46 L 3.9962 7.5760 118.4283 57.6716 41.5466 179.6499 47 E 3.9097 8.1507 118.3034 59.6593 29.3981 179.0512 48 D 4.4001 8.0047 116.9435 56.9549 40.9219 177.9310 49 A 4.2924 8.0214 119.1537 52.1921 18.7814 178.3244 50 G 3.9343 8.0973 106.0574 45.3507 0.0000 175.3277 51 I 3.6431 7.4713 120.0833 64.1316 37.1341 176.7946 52 V 3.9029 7.4330 122.3816 61.5212 31.1149 175.7638 53 R 4.0063 8.5350 127.3175 58.6808 30.2035 176.9168 54 Q 4.3504 7.2384 111.3815 55.5229 30.8945 172.4297 55 Y 4.6875 8.3114 116.2736 56.2294 39.6626 175.4562 56 A 4.6678 8.3931 126.1593 50.0785 22.2700 174.9866 57 A 4.2794 8.5878 125.0344 51.4553 19.3524 176.8925 58 L 4.4531 8.4167 123.5269 53.4069 42.9216 176.4865 59 L 4.4827 8.1840 123.0661 53.1277 43.8439 175.5044 60 S 4.5714 8.1206 114.0048 56.4283 63.1145 172.3197 61 P 4.0937 0.0000 0.0000 65.8459 31.0562 177.8538 62 E 3.8925 8.2184 117.1646 59.5300 29.3607 178.3316 63 S 4.1419 7.6200 111.3144 60.6607 62.4484 175.3525 64 V 4.3075 7.2041 113.1807 61.1240 31.9458 176.9503 65 N 4.3680 8.2804 116.4303 53.7921 37.5491 174.5330 66 L 4.7153 7.7184 118.3594 54.5708 40.1894 176.8953 67 G 4.0260 8.5937 107.8954 45.7559 0.0000 170.7706 68 L 4.7233 8.3268 123.1149 53.3168 45.0072 175.0670 69 Q 4.2032 8.6611 128.8807 54.4911 30.3608 173.6367 70 A 4.8264 8.4888 129.3736 50.1265 21.8626 175.2215 71 F 4.9385 9.0162 121.7933 56.0709 41.0213 174.7513 72 I 4.9852 8.7283 125.3635 59.5510 40.0418 175.3437 73 R 5.1998 9.1495 125.9289 54.1340 32.0838 175.2950 74 V 5.0511 8.5500 117.5277 59.4024 35.1896 175.1761 75 S 5.2564 8.6119 117.5450 56.6657 66.3084 172.7319 76 I 4.9190 7.7772 121.0590 59.0806 39.4095 176.0779 77 R 4.0478 8.2621 122.7564 56.0324 30.3804 176.9372 78 K 4.1789 8.5904 121.8683 56.0679 31.6078 175.7335 79 A 4.5622 8.0945 127.5166 50.2064 21.9671 175.1565 80 K 3.9003 8.7089 121.5424 58.3192 32.6326 176.1121 81 D 4.8682 9.3144 123.3497 54.9227 38.7557 175.7527 82 A 4.1023 8.0255 124.3749 55.3191 18.2447 180.7082 83 R 4.0176 7.9476 116.1214 59.0727 30.1769 178.8150 84 E 4.0465 8.1253 118.2093 59.3151 29.6498 178.7674 85 D 4.3723 8.0918 118.6661 57.0156 40.8613 178.5738 86 F 3.8691 8.1289 120.6891 61.0739 39.4345 176.7849 87 A 3.5734 7.9011 120.0733 55.3217 17.9719 179.6123 88 A 3.8386 7.9185 117.7734 55.1024 18.6367 179.7928 89 S 3.7879 7.7606 114.2043 61.3433 62.8093 177.1502 90 V 2.5898 6.9657 121.7578 63.9594 30.7457 178.4290 91 R 4.0044 7.1583 117.4193 57.7592 29.8974 177.2511 92 K 4.3295 7.1258 116.3346 55.6434 32.5177 176.1414 93 W 4.9965 7.4258 119.7497 54.5314 28.9960 175.2309 94 P 4.3706 0.0000 0.0000 65.1116 31.1826 178.2955 95 E 3.7037 8.1984 115.8232 58.0987 29.6014 176.2996 96 V 4.1796 7.4045 119.8388 61.5098 31.4569 175.4871 97 L 4.2036 8.5398 128.7370 57.1673 42.0699 177.5079 98 S 4.6811 7.5652 111.0830 56.9086 67.0626 172.2846 99 C 5.1209 7.5486 119.8318 58.4245 34.4983 172.9480 100 F 5.1753 9.2766 124.1408 55.5013 42.7715 173.9667 101 A 4.1675 8.9895 125.3626 51.7366 18.7217 176.6357 102 L 4.9345 8.7843 123.2009 52.7650 45.1504 176.8342 103 T 4.0855 8.3049 110.9866 62.2635 70.1289 174.8366 104 G 3.8344 8.5139 107.6813 44.3390 0.0000 172.5313 105 E 4.0817 8.8465 117.9534 59.6363 29.6367 177.8163 106 T 4.2320 7.5962 107.4011 61.4225 70.0584 174.1584 107 D 4.4079 8.8913 125.0127 57.3588 41.5939 175.6376 108 Y 5.3245 8.1456 114.1745 56.1705 42.7395 174.6742 109 L 5.1308 9.1475 122.6018 54.2809 45.4690 174.9225 110 L 5.2843 9.4234 127.0487 53.3423 44.9483 175.5993 111 Q 4.6452 8.8651 121.9909 54.4791 31.3749 174.1624 112 A 5.0753 9.1166 128.8099 49.9959 22.9314 174.4992 113 F 4.9242 8.1728 117.2656 55.7571 42.2788 174.9533 114 F 4.9228 9.3917 121.1665 55.9950 43.5930 175.8021 115 T 4.1298 9.1812 115.9568 65.6563 68.5529 174.3513 116 D 4.5495 8.3187 122.6592 54.0404 47.3195 176.9469 *118 N 4.6031 9.6394 114.6571 53.0439 41.3106 176.1620 119 A 4.0703 8.9988 120.1127 55.1433 18.3351 179.3789 120 F 2.9711 8.1331 118.9956 61.2892 39.4178 177.2476 121 S 4.1263 8.2281 114.2322 62.0930 62.6616 176.1871 122 H 4.0576 8.1024 120.2710 59.1043 29.5381 176.8562 123 F 3.8668 7.9774 122.3153 61.3211 39.1671 176.8998 124 V 3.2044 7.6285 117.8438 66.1627 31.0744 178.0853 125 L 3.8915 7.7782 117.5889 57.0648 41.6238 178.4045 126 D 4.7528 7.5695 115.0014 54.1635 41.3462 176.5828 127 T 4.1687 6.9017 113.9783 65.0256 72.5200 175.0604 128 L 3.7779 6.8724 123.0286 57.9669 42.2321 178.9327 129 L 4.0799 8.2935 118.4811 56.7936 41.7241 178.4099 130 S 4.3807 7.7136 111.5378 59.1944 64.0340 174.0539 131 H 4.3512 7.9524 123.2756 56.0795 30.2898 175.3679 132 H 4.1466 8.9757 122.8281 58.9855 28.6082 176.7276 133 G 3.6353 7.7223 105.8793 47.0876 0.0000 173.0231 134 V 3.8742 7.6226 121.5698 62.1198 31.1101 175.2320 135 Q 4.2895 8.5392 130.6647 58.2758 30.0078 175.0208 136 D 4.8452 7.7828 115.7666 53.3280 45.0423 173.9191 137 A 5.1019 8.5069 123.5068 50.8753 22.8595 175.9169 138 Q 4.5281 9.4312 121.5708 54.4040 31.6694 174.6891 139 S 5.1645 8.7850 120.5542 56.9334 64.9940 174.0703 140 S 4.6095 8.4910 117.0427 56.5805 66.5806 172.7478 141 F 5.2266 8.5955 118.9645 55.5087 42.1667 174.9940 142 V 3.9270 8.5044 122.6783 63.0087 31.2290 175.9969 143 L 4.3976 8.6430 127.3178 55.8630 42.6364 176.8818 144 K 4.1560 7.5486 116.5541 55.4983 34.6028 174.5825 145 E 4.3151 8.7883 128.2597 55.3253 28.4334 175.7776 146 I 3.9429 8.2061 127.1295 63.6007 37.6408 176.9064 147 K 4.5839 7.6280 118.1370 55.4883 34.9398 174.6521 148 H 4.7457 8.4768 124.1478 55.7659 32.0361 172.4700 149 T 4.6351 8.2022 120.5637 60.7781 70.3665 173.3014 150 T 4.2418 8.2741 114.5679 61.8406 69.7273 174.6405 151 S 4.3221 8.1742 118.8061 57.4672 62.3927 173.7603 152 L 4.2820 8.4487 128.1131 53.6521 42.2417 174.9929 153 P 4.5272 0.0000 0.0000 62.7444 32.3970 176.1111 154 L 4.8370 8.2160 117.8294 54.3694 43.6507 177.8003 155 N 4.6107 8.0883 116.9925 55.3548 38.7770 176.6212 156 H 4.4345 8.1917 113.1477 57.8137 28.8831 176.3020 157 L 4.1789 7.6749 118.4418 55.8408 42.0133 176.7451 158 L 4.2129 7.3854 122.0909 54.8856 41.5888 176.4720 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 5 T 8.17 4.29 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 6 L 8.39 4.46 0.00 1.70 1.60 0.92 0.79 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 7 D 9.02 4.78 0.00 2.98 2.83 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 0.00 0.00 0.00 0.00 8 K 8.48 3.96 0.00 1.82 1.91 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.51 7.81 9 T 8.55 4.11 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 10 D 8.25 4.39 0.00 3.02 2.76 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 11 I 7.75 3.79 2.01 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 1.65 0.86 0.93 0.00 0.00 12 K 8.00 3.93 0.00 1.86 1.81 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.44 1.49 7.81 13 I 7.63 3.71 2.09 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 1.54 0.63 0.94 0.00 0.00 14 L 7.62 4.01 0.00 1.94 1.74 0.93 0.98 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 15 Q 8.22 4.00 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 16 V 8.29 3.52 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 1.05 0.00 0.00 0.97 0.00 0.00 17 L 8.26 4.31 0.00 1.87 1.84 1.03 1.22 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 18 Q 8.08 4.09 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 19 E 7.62 4.30 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 20 N 8.32 4.79 0.00 2.78 2.75 0.00 0.00 7.03 7.75 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 21 G 8.07 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 22 R 7.26 4.46 0.00 1.77 1.84 0.00 3.25 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 23 L 7.72 4.33 0.00 1.64 1.56 0.92 0.95 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 24 T 8.77 4.07 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 1.29 0.00 0.00 25 N 8.65 4.22 0.00 2.83 2.84 0.00 0.00 6.61 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 26 V 7.91 3.64 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 1.04 0.00 0.00 0.92 0.00 0.00 27 E 8.28 4.20 0.00 2.13 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 2.49 2.29 0.00 28 L 8.10 4.11 0.00 1.86 1.89 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.27 4.15 0.00 4.33 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 0.00 30 E 8.08 4.07 0.00 2.14 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 2.32 2.35 0.00 31 R 7.49 4.59 0.00 1.96 1.93 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 32 V 6.96 4.32 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 0.73 0.00 0.00 1.02 0.00 0.00 33 A 8.19 3.78 1.34 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 34 L 7.61 4.84 0.00 1.54 1.51 0.93 1.19 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 35 S 8.43 4.54 0.00 4.04 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 36 P 0.00 4.12 0.00 2.17 2.15 0.00 3.60 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 2.12 2.18 0.00 37 S 8.03 4.06 0.00 3.88 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 38 P 0.00 4.23 0.00 2.19 2.10 0.00 3.78 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 2.12 2.16 0.00 39 C 7.92 4.05 0.00 3.01 3.11 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 40 L 8.17 3.99 0.00 2.04 1.82 0.96 0.71 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 41 R 7.77 3.85 0.00 1.92 2.06 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 42 R 8.16 3.93 0.00 1.90 2.10 0.00 3.18 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 43 L 7.92 4.11 0.00 1.91 1.82 1.03 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.95 3.84 0.00 2.21 1.86 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.57 7.81 45 Q 8.23 4.02 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 46 L 7.58 4.00 0.00 1.96 1.73 1.05 0.93 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 47 E 8.15 3.91 0.00 2.17 2.00 0.00 0.00 0.00 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 2.63 0.00 48 D 8.00 4.40 0.00 2.67 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 49 A 8.02 4.29 1.37 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 0.00 0.00 0.00 50 G 8.10 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 0.00 0.00 0.00 51 I 7.47 3.64 2.04 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 1.18 0.57 0.91 0.00 0.00 52 V 7.43 3.90 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 0.21 0.00 0.00 0.90 0.00 0.00 53 R 8.53 4.01 0.00 1.77 1.92 0.00 3.30 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 54 Q 7.24 4.35 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.71 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 55 Y 8.31 4.69 0.00 3.00 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 56 A 8.39 4.67 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 57 A 8.59 4.28 1.25 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 0.00 0.00 0.00 58 L 8.42 4.45 0.00 1.64 1.61 0.91 1.01 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 59 L 8.18 4.48 0.00 1.52 1.53 0.87 0.85 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 60 S 8.12 4.57 0.00 3.84 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 61 P 0.00 4.09 0.00 2.28 2.24 0.00 3.65 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 2.20 1.67 0.00 62 E 8.22 3.89 0.00 2.06 1.96 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 2.39 2.39 0.00 63 S 7.62 4.14 0.00 3.93 4.10 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 64 V 7.20 4.31 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 0.72 0.00 0.00 0.94 0.00 0.00 65 N 8.28 4.37 0.00 3.04 2.99 0.00 0.00 7.09 6.85 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 66 L 7.72 4.72 0.00 1.68 1.82 0.75 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.59 4.03 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 0.00 0.00 0.00 68 L 8.33 4.72 0.00 1.81 1.86 0.81 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.66 4.20 0.00 1.68 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 1.80 1.27 0.00 70 A 8.49 4.83 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 0.00 0.00 0.00 0.00 0.00 71 F 9.02 4.94 0.00 2.88 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 72 I 8.73 4.99 2.08 0.00 0.00 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 1.44 0.91 1.09 0.00 0.00 73 R 9.15 5.20 0.00 1.86 1.92 0.00 3.10 0.00 0.00 3.30 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 74 V 8.55 5.05 2.20 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 1.23 0.00 0.00 0.62 0.00 0.00 75 S 8.61 5.26 0.00 4.00 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 76 I 7.78 4.92 1.86 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.27 0.86 0.00 0.00 77 R 8.26 4.05 0.00 1.85 1.92 0.00 3.07 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.59 0.00 78 K 8.59 4.18 0.00 1.75 1.81 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 79 A 8.09 4.56 1.25 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 0.00 0.00 0.00 80 K 8.71 3.90 0.00 1.71 1.79 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.56 7.81 81 D 9.31 4.87 0.00 2.94 2.76 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 82 A 8.03 4.10 1.38 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 0.00 0.00 83 R 7.95 4.02 0.00 1.95 2.14 0.00 3.27 0.00 0.00 3.69 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 84 E 8.13 4.05 0.00 2.07 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 2.41 2.47 0.00 85 D 8.09 4.37 0.00 2.84 2.83 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 0.00 0.00 0.00 0.00 86 F 8.13 3.87 0.00 2.96 2.95 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 87 A 7.90 3.57 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 88 A 7.92 3.84 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 89 S 7.76 3.79 0.00 3.23 3.34 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 90 V 6.97 2.59 1.08 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 0.50 0.00 0.00 0.77 0.00 0.00 91 R 7.16 4.00 0.00 1.78 1.90 0.00 3.09 0.00 0.00 3.11 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 92 K 7.13 4.33 0.00 1.62 1.82 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.27 7.81 93 W 7.43 5.00 0.00 3.50 3.16 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 94 P 0.00 4.37 0.00 2.05 2.13 0.00 3.80 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 95 E 8.20 3.70 0.00 1.30 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 2.16 1.47 0.00 96 V 7.40 4.18 2.40 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 0.83 0.00 0.00 1.22 0.00 0.00 97 L 8.54 4.20 0.00 1.92 1.76 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 98 S 7.57 4.68 0.00 3.49 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 99 C 7.55 5.12 0.00 2.85 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 0.00 100 F 9.28 5.18 0.00 3.07 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 0.00 101 A 8.99 4.17 1.05 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 0.00 102 L 8.78 4.93 0.00 1.44 1.52 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.30 4.09 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 1.18 0.00 0.00 104 G 8.51 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.85 4.08 0.00 1.97 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 0.00 2.31 2.30 0.00 106 T 7.60 4.23 4.30 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 1.23 0.00 0.00 107 D 8.89 4.41 0.00 2.78 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 0.00 0.00 0.00 108 Y 8.15 5.32 0.00 3.20 3.07 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 0.00 109 L 9.15 5.13 0.00 1.87 1.70 1.14 0.59 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 0.00 110 L 9.42 5.28 0.00 1.74 1.76 1.25 0.69 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 0.00 111 Q 8.87 4.65 0.00 2.18 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 1.76 1.16 0.00 112 A 9.12 5.08 1.06 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 0.00 113 F 8.17 4.92 0.00 2.66 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 0.00 114 F 9.39 4.92 0.00 3.03 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 0.00 115 T 9.18 4.13 4.30 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 1.30 0.00 0.00 116 D 8.32 4.55 0.00 2.80 2.28 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 *118 N 9.64 4.60 0.00 2.98 2.96 0.00 0.00 6.70 8.14 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 0.00 119 A 9.00 4.07 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.13 2.97 0.00 2.84 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 0.00 121 S 8.23 4.13 0.00 4.09 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 0.00 122 H 8.10 4.06 0.00 3.28 3.47 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.98 3.87 0.00 3.19 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 0.00 124 V 7.63 3.20 1.85 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 0.90 0.00 0.00 0.28 0.00 0.00 125 L 7.78 3.89 0.00 1.69 1.63 0.92 0.91 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 0.00 126 D 7.57 4.75 0.00 2.37 2.46 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 0.00 0.00 0.00 0.00 127 T 6.90 4.17 3.50 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 -0.22 0.00 0.00 128 L 6.87 3.78 0.00 0.86 1.45 1.33 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.29 4.08 0.00 1.61 1.66 0.89 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 130 S 7.71 4.38 0.00 3.93 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 0.00 131 H 7.95 4.35 0.00 3.52 3.50 0.00 5.60 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 0.00 132 H 8.98 4.15 0.00 3.26 3.41 0.00 5.78 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 0.00 133 G 7.72 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.62 3.87 2.26 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 0.67 0.00 0.00 0.89 0.00 0.00 135 Q 8.54 4.29 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.42 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 136 D 7.78 4.85 0.00 2.71 2.43 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 0.00 137 A 8.51 5.10 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 0.00 138 Q 9.43 4.53 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 139 S 8.78 5.16 0.00 3.85 3.51 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 0.00 140 S 8.49 4.61 0.00 3.83 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 0.00 141 F 8.60 5.23 0.00 2.84 2.89 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 0.00 142 V 8.50 3.93 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 0.83 0.00 0.00 1.19 0.00 0.00 143 L 8.64 4.40 0.00 1.70 1.72 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.55 4.16 0.00 1.68 1.66 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.41 7.81 145 E 8.79 4.32 0.00 2.03 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 2.36 2.40 0.00 146 I 8.21 3.94 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.93 0.92 0.00 0.00 147 K 7.63 4.58 0.00 1.68 1.65 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.45 7.81 148 H 8.48 4.75 0.00 3.13 3.27 0.00 5.93 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.20 4.64 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 1.22 0.00 0.00 150 T 8.27 4.24 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 1.18 0.00 0.00 151 S 8.17 4.32 0.00 3.85 3.83 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 0.00 0.00 0.00 0.00 152 L 8.45 4.28 0.00 1.81 1.57 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.53 0.00 2.09 2.00 0.00 3.67 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 1.87 1.92 0.00 154 L 8.22 4.84 0.00 1.69 1.69 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.09 4.61 0.00 2.79 2.87 0.00 0.00 6.85 8.16 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 0.00 156 H 8.19 4.43 0.00 3.24 3.41 0.00 5.54 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.67 4.18 0.00 1.80 1.73 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.39 4.21 0.00 1.69 1.58 0.93 0.80 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 * Residues marked with a * may have inaccurate shift predictions.