NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.2657 8.1849 120.6351 53.6309 43.2730 176.2949 8 P 4.3551 0.0000 0.0000 61.0820 32.0150 173.4573 9 P 4.4430 0.0000 0.0000 64.7233 32.5333 176.9994 10 G 3.8935 9.0685 111.0618 45.0178 0.0000 172.8259 11 W 5.1321 7.7951 119.5032 56.3043 30.1671 175.6941 12 E 4.8761 9.4947 123.8818 54.4916 33.2097 173.8691 13 K 4.0890 8.7625 127.6743 56.3746 33.1477 175.8029 14 R 4.6739 8.6636 125.8130 54.5218 34.8614 173.4562 15 M 5.4740 8.5047 118.4182 54.2788 35.4873 174.5561 16 S 4.4924 9.4980 120.3528 56.4665 65.7996 173.9629 17 N 4.2259 8.5471 124.8795 54.2983 35.5781 175.7619 *20 G 4.0579 7.6182 102.4775 44.9047 0.0000 171.6822 21 R 4.6728 7.8103 120.3041 54.2480 32.2202 175.8215 22 V 4.5276 8.6017 124.8688 63.1688 32.6064 174.3661 23 Y 5.1376 8.9502 124.7809 56.4181 42.3566 172.5991 24 Y 4.9846 9.5567 116.6138 56.1237 41.2180 174.9829 25 F 5.5126 9.3730 126.0450 56.3996 42.9330 173.1771 26 N 4.4164 7.3397 124.3372 51.7314 39.6553 174.9729 27 H 4.0581 8.7919 124.6796 57.9748 28.6830 176.8114 28 I 4.0397 8.0874 119.2492 62.6612 38.0158 176.7547 29 T 4.0710 7.5191 108.0307 60.8507 69.7742 175.3072 30 N 3.9059 7.8994 118.7357 53.7378 37.0723 173.4452 31 A 4.4939 7.0944 120.4363 51.9786 19.7290 177.4554 32 S 5.6597 8.6373 116.3980 57.0098 66.5439 173.4744 33 Q 4.5072 9.3464 120.6709 54.9034 31.6252 175.7975 34 W 4.7976 8.7736 120.7077 59.7742 29.5897 177.3414 35 E 4.2115 8.2111 117.3721 55.4836 29.7489 176.5892 36 R 2.5100 8.2495 123.6884 55.2454 30.4417 175.3680 37 P 3.7030 0.0000 0.0000 64.1490 31.2934 175.3894 38 S 4.3861 6.7033 113.8173 56.7073 66.9666 172.4387 *51 E 4.2155 8.3496 118.6384 55.2554 30.2291 173.8632 52 P 4.4084 0.0000 0.0000 62.8541 31.8171 176.5240 53 A 4.2952 8.4963 122.1301 54.1178 18.9885 177.4870 54 R 4.9221 7.3821 113.0821 55.6437 32.9287 174.1579 55 V 4.3146 7.8996 117.2472 59.4422 36.6872 174.0683 56 R 4.8978 7.8839 121.5378 53.9811 32.6062 174.2364 57 C 5.4012 8.6926 122.0291 58.2782 32.6939 172.8850 58 S 5.5476 9.0723 116.7772 57.5016 66.2714 172.7714 59 H 5.5521 9.2715 115.9450 54.7439 32.0514 172.6046 60 L 4.5469 9.2013 121.6398 53.2663 44.6149 174.6246 61 L 5.1115 8.6031 128.7426 53.2410 44.7964 175.0485 62 V 4.6360 8.7002 126.1389 61.1828 33.7266 175.2421 63 K 4.7363 8.9228 128.0982 55.9670 33.8346 175.3156 64 H 5.0227 8.9003 116.7573 53.9026 31.6541 174.3932 65 S 4.2592 8.9590 114.2062 60.8696 62.5399 175.1378 66 Q 4.5338 8.1451 117.9666 55.5714 28.9951 175.8416 67 S 4.4098 7.7752 115.2606 58.0815 63.3502 174.7731 68 R 4.0706 8.5384 120.2321 58.7454 29.1852 177.1638 69 R 4.5105 7.4667 116.6410 53.1648 31.0285 174.2695 70 P 4.6166 0.0000 0.0000 61.2482 30.4628 176.6683 71 S 4.8416 7.4097 110.2433 58.4109 65.7540 172.4637 72 S 4.6762 8.7370 119.5715 56.4467 65.9079 175.0948 73 W 4.3063 8.8333 117.7999 58.9469 27.6305 177.0516 74 R 3.8675 6.1966 113.1751 55.9843 29.6578 176.2633 75 Q 4.2270 7.7107 121.1497 54.9452 31.6427 173.9483 76 E 3.8900 9.1159 127.2690 58.4730 29.6688 176.6535 77 K 4.3405 7.6504 119.7588 54.1494 33.6887 175.3046 78 I 4.1624 8.8064 128.6513 60.9324 36.8903 176.2997 79 T 4.5002 8.2656 114.9515 61.0104 70.3837 174.9244 80 R 4.1643 7.7376 119.9543 56.3916 30.2036 176.3827 81 T 4.5001 9.0456 111.7318 60.9588 71.1747 175.8728 82 K 3.8205 8.3883 121.7763 59.6225 32.2408 178.5230 83 E 3.9842 8.1400 118.4339 59.5825 29.4335 179.0850 84 E 3.9731 8.1876 118.3734 59.1698 29.4240 179.2209 85 A 3.9892 8.1276 121.0658 54.9928 18.3849 179.4401 86 L 3.8684 8.2088 119.0609 58.3220 42.1875 179.0451 87 E 3.9436 8.0995 118.3600 59.3463 29.2762 179.3912 88 L 3.6007 7.8475 118.9967 57.5394 41.5588 179.5541 89 I 3.8096 7.8308 119.8271 64.6532 37.0729 178.2228 90 N 4.4331 8.5646 117.7636 56.1877 38.2436 177.7878 91 G 3.3835 7.8330 107.1287 47.9669 0.0000 175.4429 92 Y 4.3461 7.7311 119.6949 60.7568 37.7788 178.7256 93 I 3.8050 8.2305 121.1511 64.4019 37.2702 178.1922 94 Q 3.9774 8.2458 120.3491 59.3137 28.4308 178.5374 95 K 4.0558 8.2961 119.5055 59.4718 31.8984 179.5171 96 I 4.3704 7.8785 121.4274 64.0334 36.8957 178.7233 97 K 4.1218 8.2060 118.4061 59.2961 31.8880 179.3132 98 S 4.3469 8.0881 114.2287 59.6153 63.1136 175.4384 99 G 4.0653 7.8289 109.7001 44.8600 0.0000 174.0294 100 E 4.2021 7.9490 117.5215 58.1901 30.2695 176.9336 101 E 4.8115 8.0044 117.3355 53.7032 33.7934 173.9150 102 D 5.1744 8.3311 121.0470 51.5188 42.9461 177.0430 103 F 3.9219 8.8778 123.7298 61.7955 39.2951 176.7388 104 E 4.0470 8.6278 118.0597 59.7427 29.1528 178.4513 105 S 4.0473 9.4010 113.4408 61.6088 62.5025 176.3616 106 L 3.9798 7.8823 121.2242 57.6391 41.2613 179.3990 107 A 3.7508 8.0259 121.3967 55.0627 18.0934 179.8923 108 S 4.2305 7.9904 111.5177 60.9519 63.0464 176.1642 109 Q 4.0936 7.2524 120.7706 57.2894 29.0987 176.5609 110 F 4.8347 7.7811 114.6073 56.9297 40.2682 175.7776 111 S 4.4003 7.9324 117.4133 58.4386 62.5781 173.7856 112 D 4.6464 9.2964 127.5792 54.4911 40.7660 175.4783 113 C 4.8888 7.6308 119.1783 57.5698 33.4424 175.0128 114 S 4.1699 8.7480 121.9458 61.0185 62.4274 176.3875 115 S 4.3233 8.0807 115.7182 59.7248 62.7535 175.6687 116 A 4.1368 8.1004 125.6270 55.2607 17.8081 179.6949 117 K 3.6941 7.6580 116.1745 58.4505 32.3046 178.0538 118 A 4.6534 7.6234 120.0854 51.5163 20.2501 176.7700 119 R 3.8072 8.8446 117.0862 58.8476 28.4683 178.2142 120 G 4.1038 8.6307 107.0097 45.3276 0.0000 174.0515 121 D 4.7443 7.7887 119.2483 54.0944 41.4669 175.8158 122 L 4.5013 8.9258 125.2777 53.9600 43.2253 177.5753 123 G 3.7808 8.4462 107.6683 44.3434 0.0000 172.0421 124 A 4.7744 8.2204 119.7758 51.2937 20.2753 176.9925 125 F 5.1510 8.4726 114.5289 56.1415 42.2466 172.9517 126 S 5.4539 9.8732 115.3654 56.3442 66.7233 174.1626 127 R 4.1683 8.3095 119.6553 57.7963 30.1310 177.6205 128 G 3.9887 11.0681 109.2958 45.6665 0.0000 174.0037 129 Q 4.4278 7.6187 117.6450 56.1092 30.7730 175.6244 130 M 4.3887 7.5169 115.3805 52.8999 34.6467 175.9193 131 Q 4.0951 8.0719 118.6340 55.7278 30.5647 177.3719 132 K 3.8646 8.8348 125.3049 59.5663 32.1829 177.2668 133 P 4.3286 0.0000 0.0000 65.7730 31.1603 178.1526 134 F 3.9683 8.2181 120.0455 60.8581 39.3839 176.5275 135 E 4.3285 8.7268 119.2825 59.7294 29.3109 178.4949 136 D 4.4487 8.3847 117.5762 57.3617 41.1642 178.5063 137 A 4.0649 8.0129 121.1400 55.1741 18.2631 179.7373 138 S 3.9516 8.2546 113.9680 61.8777 62.8220 176.7180 139 F 4.1156 8.4940 117.2906 58.7403 38.9389 176.5990 140 A 4.4277 7.5467 118.8097 51.4205 19.5814 176.9916 141 L 4.3509 6.9337 117.8299 53.7200 42.9984 176.8206 142 R 4.4772 8.8628 121.4844 54.5898 31.7625 176.2592 143 T 3.8626 8.2242 116.2890 65.7489 68.6181 174.8327 144 G 3.9591 9.1387 115.8302 45.0876 0.0000 173.4958 145 E 4.3434 8.1109 119.5464 56.2520 30.9750 175.3394 146 M 5.2403 8.4116 121.9252 53.7522 34.7668 175.6656 147 S 4.3645 9.1919 121.3687 58.1233 64.8851 172.9834 148 G 4.5247 8.2606 108.8494 43.2222 0.0000 171.0059 149 P 4.5683 0.0000 0.0000 62.6411 32.2125 176.2560 150 V 4.5707 8.7683 124.4327 61.1554 34.2920 173.9973 151 F 5.3492 9.3464 126.8101 56.5197 40.5137 175.1963 152 T 4.8535 8.8785 112.3413 60.0158 72.1900 174.3358 153 D 4.5063 8.9592 120.2180 57.0989 40.8852 179.3669 154 S 4.2389 8.0602 115.1960 59.3327 64.1463 175.1332 155 G 3.9086 6.3457 109.7080 45.5645 0.0000 171.6884 156 I 4.7183 8.1665 124.9601 59.6449 40.0642 174.6205 157 H 5.5890 9.3853 122.9304 54.0668 32.9907 172.7228 158 I 4.8508 8.6831 120.5309 59.7400 40.3149 174.6667 159 I 4.9537 8.9069 128.0812 59.2948 40.3328 174.3813 160 L 4.8153 8.6792 128.3788 53.0556 44.6837 175.0924 161 R 4.6265 8.6227 128.4137 56.1746 30.4551 176.5967 162 T 4.4591 8.7255 117.1255 62.3823 70.4865 174.8557 163 E 4.1460 7.7014 125.8342 56.7121 30.6022 174.6279 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 7 L 8.18 4.27 0.00 1.78 1.80 1.22 0.66 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 8 P 0.00 4.36 0.00 2.62 2.11 0.00 3.50 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 1.98 2.14 0.00 9 P 0.00 4.44 0.00 2.07 2.05 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 10 G 9.07 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 0.00 0.00 0.00 11 W 7.80 5.13 0.00 3.37 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 12 E 9.49 4.88 0.00 2.14 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 2.24 2.32 0.00 13 K 8.76 4.09 0.00 1.82 1.65 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.66 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.16 0.86 7.81 14 R 8.66 4.67 0.00 0.67 1.53 0.00 3.20 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 15 M 8.50 5.47 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 16 S 9.50 4.49 0.00 3.73 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 17 N 8.55 4.23 0.00 2.96 2.90 0.00 0.00 6.92 7.99 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 *20 G 7.62 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 21 R 7.81 4.67 0.00 2.24 1.96 0.00 3.30 0.00 0.00 2.87 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.82 0.00 22 V 8.60 4.53 2.16 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 0.71 0.00 0.00 0.96 0.00 0.00 23 Y 8.95 5.14 0.00 3.05 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 24 Y 9.56 4.98 0.00 2.94 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 25 F 9.37 5.51 0.00 2.98 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 26 N 7.34 4.42 0.00 1.44 1.47 0.00 0.00 7.02 7.40 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 27 H 8.79 4.06 0.00 2.97 3.35 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.09 4.04 1.81 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 1.30 0.41 0.90 0.00 0.00 29 T 7.52 4.07 4.07 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 1.12 0.00 0.00 30 N 7.90 3.91 0.00 3.03 3.10 0.00 0.00 6.76 7.53 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 31 A 7.09 4.49 1.15 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 0.00 0.00 32 S 8.64 5.66 0.00 3.75 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 33 Q 9.35 4.51 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 34 W 8.77 4.80 0.00 3.43 3.30 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 35 E 8.21 4.21 0.00 1.91 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 2.34 2.41 0.00 36 R 8.25 2.51 0.00 1.46 1.47 0.00 3.11 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.88 0.00 37 P 0.00 3.70 0.00 0.86 0.49 0.00 2.64 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.08 0.00 38 S 6.70 4.39 0.00 3.78 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 *51 E 8.35 4.22 0.00 2.25 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 0.00 2.20 2.39 0.00 52 P 0.00 4.41 0.00 2.36 2.09 0.00 3.88 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.91 0.00 53 A 8.50 4.30 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 54 R 7.38 4.92 0.00 1.83 1.74 0.00 3.20 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.68 0.00 55 V 7.90 4.31 1.58 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 -0.32 0.00 0.00 56 R 7.88 4.90 0.00 1.74 1.63 0.00 3.12 0.00 0.00 3.37 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 57 C 8.69 5.40 0.00 3.28 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 58 S 9.07 5.55 0.00 3.54 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 59 H 9.27 5.55 0.00 3.63 3.61 0.00 5.50 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.20 4.55 0.00 1.12 1.35 0.35 0.44 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 61 L 8.60 5.11 0.00 1.74 1.41 0.71 0.48 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 62 V 8.70 4.64 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 0.99 0.00 0.00 1.09 0.00 0.00 63 K 8.92 4.74 0.00 1.64 1.65 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.61 1.33 7.81 64 H 8.90 5.02 0.00 3.32 3.39 0.00 5.47 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.96 4.26 0.00 3.99 4.07 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 66 Q 8.15 4.53 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.03 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 67 S 7.78 4.41 0.00 3.83 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 68 R 8.54 4.07 0.00 1.92 2.08 0.00 3.00 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 69 R 7.47 4.51 0.00 1.76 1.86 0.00 3.21 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 70 P 0.00 4.62 0.00 2.21 2.24 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 71 S 7.41 4.84 0.00 3.81 3.71 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 72 S 8.74 4.68 0.00 4.01 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 73 W 8.83 4.31 0.00 3.56 3.27 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 74 R 6.20 3.87 0.00 1.25 0.66 0.00 2.21 0.00 0.00 2.90 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.05 0.00 75 Q 7.71 4.23 0.00 1.92 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 76 E 9.12 3.89 0.00 1.93 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 2.29 2.37 0.00 77 K 7.65 4.34 0.00 1.67 1.64 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.46 7.81 78 I 8.81 4.16 1.91 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 1.04 1.31 0.86 0.00 0.00 79 T 8.27 4.50 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 1.23 0.00 0.00 80 R 7.74 4.16 0.00 2.09 2.09 0.00 3.04 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 81 T 9.05 4.50 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 1.27 0.00 0.00 82 K 8.39 3.82 0.00 1.55 1.79 0.00 2.05 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.64 1.48 7.81 83 E 8.14 3.98 0.00 2.09 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 2.40 2.47 0.00 84 E 8.19 3.97 0.00 2.16 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 2.31 2.31 0.00 85 A 8.13 3.99 1.41 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 0.00 0.00 0.00 86 L 8.21 3.87 0.00 1.95 1.92 1.06 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.10 3.94 0.00 2.18 1.90 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 2.52 2.46 0.00 88 L 7.85 3.60 0.00 1.78 1.41 0.87 0.47 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 89 I 7.83 3.81 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.91 0.93 0.00 0.00 90 N 8.56 4.43 0.00 2.79 2.84 0.00 0.00 6.98 7.14 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 91 G 7.83 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 0.00 0.00 0.00 92 Y 7.73 4.35 0.00 3.13 2.90 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 93 I 8.23 3.80 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.85 0.97 0.00 0.00 94 Q 8.25 3.98 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 95 K 8.30 4.06 0.00 2.07 1.93 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.62 7.81 96 I 7.88 4.37 2.13 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.57 1.06 0.00 0.00 97 K 8.21 4.12 0.00 1.78 1.95 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.66 7.81 98 S 8.09 4.35 0.00 4.08 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 99 G 7.83 4.07 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 0.00 0.00 0.00 100 E 7.95 4.20 0.00 2.15 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 0.00 2.51 2.33 0.00 101 E 8.00 4.81 0.00 2.08 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 2.29 2.47 0.00 102 D 8.33 5.17 0.00 3.01 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 0.00 103 F 8.88 3.92 0.00 3.16 3.10 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 0.00 104 E 8.63 4.05 0.00 2.22 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 2.43 2.51 0.00 105 S 9.40 4.05 0.00 3.95 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 0.00 106 L 7.88 3.98 0.00 1.64 1.46 1.01 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.03 3.75 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 108 S 7.99 4.23 0.00 3.93 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 0.00 109 Q 7.25 4.09 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.78 0.00 0.00 0.00 0.00 0.00 2.08 2.36 0.00 110 F 7.78 4.83 0.00 2.54 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 0.00 111 S 7.93 4.40 0.00 3.81 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 0.00 112 D 9.30 4.65 0.00 2.74 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 0.00 113 C 7.63 4.89 0.00 3.05 2.81 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 0.00 114 S 8.75 4.17 0.00 3.92 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 0.00 115 S 8.08 4.32 0.00 4.26 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 0.00 116 A 8.10 4.14 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 0.00 117 K 7.66 3.69 0.00 1.61 1.72 0.00 1.36 0.00 0.00 1.17 0.00 0.00 2.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.38 7.81 118 A 7.62 4.65 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 0.00 119 R 8.84 3.81 0.00 2.00 2.06 0.00 3.21 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 120 G 8.63 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 0.00 0.00 0.00 121 D 7.79 4.74 0.00 2.69 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 0.00 122 L 8.93 4.50 0.00 1.97 1.74 0.80 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.45 3.78 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 0.00 0.00 0.00 124 A 8.22 4.77 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 0.00 125 F 8.47 5.15 0.00 3.29 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 0.00 126 S 9.87 5.45 0.00 3.82 3.88 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 0.00 127 R 8.31 4.17 0.00 1.58 1.75 0.00 2.90 0.00 0.00 3.07 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 128 G 11.07 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 0.00 129 Q 7.62 4.43 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.70 0.00 130 M 7.52 4.39 0.00 1.54 1.82 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.63 0.00 131 Q 8.07 4.10 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 132 K 8.83 3.86 0.00 1.88 1.87 0.00 1.63 0.00 0.00 1.88 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.76 7.81 133 P 0.00 4.33 0.00 2.50 2.37 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 134 F 8.22 3.97 0.00 3.01 3.12 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 0.00 135 E 8.73 4.33 0.00 2.23 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 2.44 2.66 0.00 136 D 8.38 4.45 0.00 2.70 2.75 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 0.00 0.00 0.00 0.00 137 A 8.01 4.06 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 0.00 0.00 0.00 0.00 0.00 138 S 8.25 3.95 0.00 4.29 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 0.00 139 F 8.49 4.12 0.00 3.05 3.29 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 0.00 140 A 7.55 4.43 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 0.00 141 L 6.93 4.35 0.00 1.67 1.54 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 142 R 8.86 4.48 0.00 2.01 1.83 0.00 3.17 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 143 T 8.22 3.86 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 1.16 0.00 0.00 144 G 9.14 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 0.00 145 E 8.11 4.34 0.00 2.10 1.92 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 2.37 2.35 0.00 146 M 8.41 5.24 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 147 S 9.19 4.36 0.00 3.98 3.78 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 0.00 148 G 8.26 4.52 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 0.00 0.00 0.00 149 P 0.00 4.57 0.00 2.15 1.98 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 150 V 8.77 4.57 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 0.84 0.00 0.00 0.96 0.00 0.00 151 F 9.35 5.35 0.00 2.94 3.08 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 0.00 152 T 8.88 4.85 4.53 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 1.35 0.00 0.00 153 D 8.96 4.51 0.00 2.90 2.79 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 0.00 154 S 8.06 4.24 0.00 3.97 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 0.00 155 G 6.35 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 0.00 0.00 0.00 156 I 8.17 4.72 1.67 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.63 0.30 0.00 0.00 157 H 9.39 5.59 0.00 3.13 3.40 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.68 4.85 2.03 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.82 1.18 0.00 0.00 159 I 8.91 4.95 1.66 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 0.68 0.58 0.65 0.00 0.00 160 L 8.68 4.82 0.00 0.74 0.54 0.71 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.62 4.63 0.00 1.82 1.68 0.00 2.97 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 162 T 8.73 4.46 4.18 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 1.11 0.00 0.00 163 E 7.70 4.15 0.00 1.83 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 0.00 2.16 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.