NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4970 8.1693 120.6417 55.0653 43.1224 175.7887 8 H 4.8371 8.4601 116.0670 53.3396 31.5980 171.1262 9 K 4.5723 9.2494 122.1576 55.7984 34.0586 177.1576 10 E 4.9755 8.8567 123.4572 53.6318 33.2069 173.9187 11 P 4.9826 0.0000 0.0000 63.2885 32.5051 174.8046 12 A 4.8707 8.3948 121.6966 51.5031 23.2073 175.4300 13 T 4.6303 8.5133 115.0635 61.4157 71.9176 174.0326 14 L 4.2329 8.6888 128.3700 55.8061 42.4236 175.4391 15 I 4.3638 8.5508 126.3679 62.1106 38.6185 175.7172 16 K 4.5877 7.5448 120.6276 55.2179 35.5508 174.0424 17 A 4.5285 8.6832 129.9411 52.1460 19.3488 176.9638 18 I 4.2326 8.3309 122.5749 62.6154 39.1761 175.0376 19 D 4.6329 7.5499 117.1471 52.7901 44.0726 175.4380 20 G 3.8468 8.7787 109.2501 47.7669 0.0000 173.8762 21 D 4.9293 8.0988 116.3658 52.9753 40.6910 175.0452 22 T 5.2822 7.8006 116.2609 62.0140 72.4930 173.2873 23 V 4.8395 8.8440 124.9388 59.7679 35.4596 174.1168 24 K 5.0782 9.1478 124.7027 55.1661 33.8838 175.1247 25 L 5.3008 9.1327 126.5608 53.0792 46.5404 175.2743 26 M 4.7963 9.2007 122.3269 55.0941 33.5266 174.2625 27 Y 4.9309 9.0241 128.2260 56.0119 41.9417 175.6186 28 K 3.3870 9.3207 126.3377 57.6179 29.6307 176.1103 29 G 3.9715 8.8041 103.4491 45.7735 0.0000 173.8102 30 Q 4.6821 7.9446 116.6928 53.3293 32.2944 172.5852 31 P 4.9848 0.0000 0.0000 63.2720 32.0273 175.6072 32 M 4.9440 9.2539 122.7729 54.1344 37.2823 174.0815 33 T 4.7253 8.4818 118.1011 63.1863 70.4590 173.5735 34 F 5.0470 9.6303 125.2087 55.6426 41.8185 174.3300 35 R 5.0162 8.7793 124.1412 54.5039 31.8963 175.1991 36 L 4.4654 8.6747 127.4521 54.4774 42.3800 177.3450 37 L 3.9061 8.5210 125.0033 56.1709 42.1553 178.1546 38 L 4.0532 8.7712 119.8583 55.3551 39.2651 174.0225 39 V 4.8830 7.2698 109.8713 59.4213 35.5395 174.7797 40 D 4.8574 8.8896 122.5227 52.8542 43.5595 174.8190 41 T 4.8000 8.4263 116.1271 59.3871 70.9513 173.0971 42 P 4.4007 0.0000 0.0000 62.7744 32.2587 175.7026 43 E 4.8095 9.9542 121.2972 54.9560 32.3859 176.9366 44 T 4.3555 7.6296 110.2619 62.5208 70.8696 176.5639 45 K 4.2529 7.7675 123.8122 56.3551 33.0187 173.1889 46 H 3.9112 8.8918 120.7982 56.6967 28.1850 173.0780 47 P 4.6198 0.0000 0.0000 62.5227 32.1306 177.0026 48 K 3.5866 8.0361 115.7441 59.5164 31.2842 176.8275 49 K 4.2967 8.8308 126.6507 56.3340 35.0956 178.4286 50 G 4.2003 8.7973 110.3181 43.7753 0.0000 174.3586 51 V 4.5428 8.5845 116.0579 60.9998 34.2635 174.9275 52 E 4.6180 8.8406 127.4206 54.4362 31.9137 175.5350 53 K 3.8785 8.3882 123.4709 58.3427 32.6832 176.6069 54 Y 4.3662 8.1255 122.6354 59.4569 35.9336 171.2725 55 G 3.5780 8.4426 108.2903 47.5787 0.0000 174.3549 56 P 4.3043 0.0000 0.0000 65.0219 31.3842 178.6996 57 E 3.9939 8.1454 116.8330 59.3772 29.5659 178.9580 58 A 4.0502 8.2016 120.8862 55.1969 18.3996 179.6716 59 S 4.1310 8.3636 111.5273 61.5262 62.4953 176.2923 60 A 4.0671 8.4051 123.7291 54.7593 18.0227 179.3834 61 F 3.8698 8.4069 119.4264 61.8440 39.5299 177.3820 62 T 3.9145 8.1242 115.2953 66.5063 68.2380 176.3409 63 K 3.8541 8.0016 121.3844 59.7151 32.0920 178.9964 64 K 3.9200 7.9640 118.6099 59.4684 31.6787 179.1323 65 M 3.8709 7.5975 117.7900 58.6148 31.9216 178.3099 66 V 3.8503 7.7995 112.2764 63.8533 31.6728 178.3241 67 E 4.1137 8.2864 117.6587 58.3655 29.3875 177.8353 68 N 4.7001 7.5333 114.0994 52.0594 39.3764 174.9590 69 A 4.5080 6.9383 123.3594 51.4889 19.4392 178.0510 70 K 4.2480 8.6673 119.5147 58.1013 33.6414 177.5094 71 K 4.6654 8.5955 119.0359 54.4522 36.0551 175.3391 72 I 4.9865 8.3990 124.8857 59.6467 39.9414 174.4261 73 E 5.1552 9.1125 124.8980 54.6506 33.8488 175.0563 74 V 4.6676 8.7064 115.7731 59.4698 35.3050 174.5791 75 E 4.9717 8.8869 124.6085 54.3657 32.0613 175.1233 76 F 4.6679 8.8528 125.7921 57.6947 40.0732 175.7980 77 D 4.9665 8.5742 120.9927 53.6109 43.2118 176.4352 78 K 4.5724 9.1461 120.3265 56.8801 33.5914 177.1932 79 G 4.2019 8.0948 110.9996 45.1520 0.0000 173.9884 80 Q 4.1623 8.5787 121.1864 56.5479 29.4262 176.3994 81 R 4.7461 8.3963 116.9705 56.5185 31.7329 175.6678 82 T 5.1736 7.6963 108.2843 60.0276 72.4885 173.2804 83 D 5.0048 8.5318 123.1678 51.6996 42.2359 176.8817 84 K 3.9333 8.6216 116.4009 59.4551 32.6225 176.9677 85 Y 4.3618 8.1247 115.8455 57.7403 38.0728 176.2803 86 G 3.9485 8.1873 108.7780 45.0414 0.0000 174.0241 87 R 4.2966 8.3060 119.8381 55.2226 31.5418 176.4884 88 G 3.2892 8.3249 110.9254 46.2703 0.0000 172.3775 89 L 5.2231 8.7479 124.0935 53.2278 43.3183 175.5555 90 A 4.3271 8.3242 124.4503 51.1474 23.6837 173.9342 91 Y 4.8363 8.4850 117.0665 57.2066 39.7428 175.2389 92 I 4.7799 8.7157 124.9613 59.7028 40.1429 174.0681 93 Y 5.0856 9.0088 124.2311 56.0754 40.8275 174.4642 94 A 4.9789 8.9576 126.1118 50.3085 21.4037 176.2925 95 D 4.0914 10.0245 125.0612 55.7466 39.1181 175.4366 96 G 4.0085 8.5337 105.6558 45.2537 0.0000 173.7705 97 K 4.5421 7.8573 120.1199 54.8519 33.8708 175.3369 98 M 3.9672 8.4225 123.0597 54.8280 33.1362 177.0778 99 V 3.6263 8.7207 127.2455 66.2045 31.2972 177.6523 100 N 4.3105 8.0284 115.7417 56.3798 38.4433 176.8289 101 E 3.9106 8.0412 119.9132 58.9438 29.9352 178.2413 102 A 4.0135 7.9336 120.9064 55.3596 18.4823 179.5889 103 L 3.5336 7.8463 117.2662 57.8898 41.7441 180.0477 104 V 3.7457 7.4096 116.9884 65.9204 31.2372 178.0767 105 R 3.9234 8.2876 118.0341 59.0785 29.9876 177.5939 106 Q 4.2769 7.6347 114.8133 55.2076 29.1020 176.2047 107 G 3.8708 7.8894 108.6017 46.5537 0.0000 174.6722 108 L 4.6240 7.6211 116.2809 53.8521 42.4562 176.1930 109 A 4.6464 7.4951 118.9627 50.7212 22.0751 175.9387 110 K 4.7113 8.4684 121.5714 54.4990 35.1479 175.6190 111 V 4.2077 9.4194 125.8652 62.9185 31.8775 175.1635 112 A 4.2029 8.9624 128.3534 51.2159 22.8575 174.3227 113 Y 3.3264 7.7796 115.8512 58.6717 34.7403 170.0128 114 V 3.8827 7.0521 117.4843 61.2892 32.6479 174.7566 115 Y 4.8145 8.0484 125.9298 55.7621 39.2192 175.7893 116 K 4.3521 8.6905 124.7853 56.2099 32.7118 175.2158 117 P 4.7392 0.0000 0.0000 63.0896 31.9692 176.8845 118 N 4.9454 7.8739 118.3303 52.6817 37.0800 174.7664 119 N 5.2067 7.6667 111.9759 52.7390 38.9777 177.2964 120 C 4.1748 9.0254 119.7398 63.4197 28.4697 174.4858 121 H 4.8875 7.9285 115.1972 55.6647 28.8049 176.3525 122 E 3.9407 8.3585 123.1704 59.4359 29.4983 178.3843 123 Q 3.9418 8.1544 119.0811 59.6705 29.0940 177.8271 124 H 4.2003 8.2290 118.3830 59.4924 29.9495 177.0563 125 L 3.9704 8.0387 120.6605 57.7307 41.4244 179.6537 126 R 3.9466 8.2766 118.2326 58.9457 30.0201 179.3250 127 K 3.9353 7.9199 118.0795 59.5893 32.1051 179.5539 128 S 4.1055 7.8400 114.9627 61.5019 62.7038 176.4280 129 E 3.9380 8.3483 121.8689 59.0127 29.3424 178.6579 130 A 3.7324 7.8319 120.8888 55.0443 18.3845 179.3105 131 Q 3.7836 7.8410 117.3399 59.4193 29.2147 178.3846 132 A 3.9806 7.9551 121.6022 55.0984 18.3382 179.8644 133 K 3.3504 7.6386 117.0143 59.1720 31.7931 179.3416 134 K 3.8182 7.6965 118.7947 59.4433 32.1959 177.8425 135 E 4.2226 8.1787 115.5604 55.5432 30.0957 176.4257 136 K 4.0058 8.0036 118.2112 57.2063 30.5379 175.0880 137 L 4.5319 7.9438 118.1482 55.6622 44.1124 178.0409 138 N 3.8405 9.5071 119.3745 54.2774 37.9330 176.3589 139 I 2.9482 5.4200 124.3353 64.4480 37.8067 177.0833 140 W 4.6907 7.7079 117.7474 56.6655 29.4237 176.5158 141 S 5.2988 7.7952 118.3865 58.1171 62.1395 174.2254 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 8.17 4.50 0.00 1.73 1.79 1.01 0.87 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 8 H 8.46 4.84 0.00 3.26 3.26 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.25 4.57 0.00 1.56 1.65 0.00 1.46 0.00 0.00 0.72 0.00 0.00 2.37 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.14 1.24 7.81 10 E 8.86 4.98 0.00 2.16 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 2.34 2.12 0.00 11 P 0.00 4.98 0.00 2.09 2.06 0.00 3.83 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 2.00 1.99 0.00 12 A 8.39 4.87 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 13 T 8.51 4.63 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 1.22 0.00 0.00 14 L 8.69 4.23 0.00 1.63 1.57 0.92 1.02 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 15 I 8.55 4.36 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 1.15 0.79 0.94 0.00 0.00 16 K 7.54 4.59 0.00 1.81 1.61 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.44 7.81 17 A 8.68 4.53 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 18 I 8.33 4.23 2.00 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 1.19 0.70 0.91 0.00 0.00 19 D 7.55 4.63 0.00 2.62 2.48 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 0.00 0.00 0.00 0.00 20 G 8.78 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 0.00 0.00 0.00 21 D 8.10 4.93 0.00 2.86 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 22 T 7.80 5.28 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 1.27 0.00 0.00 23 V 8.84 4.84 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 0.99 0.00 0.00 24 K 9.15 5.08 0.00 1.87 1.86 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.46 7.81 25 L 9.13 5.30 0.00 1.68 1.50 0.31 0.89 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 26 M 9.20 4.80 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 27 Y 9.02 4.93 0.00 3.22 3.05 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 28 K 9.32 3.39 0.00 1.56 1.70 0.00 1.41 0.00 0.00 0.73 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.66 1.23 7.81 29 G 8.80 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 30 Q 7.94 4.68 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 6.94 0.00 0.00 0.00 0.00 0.00 2.62 2.45 0.00 31 P 0.00 4.98 0.00 2.01 2.09 0.00 3.70 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 2.06 2.16 0.00 32 M 9.25 4.94 0.00 1.77 1.99 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.57 0.00 33 T 8.48 4.73 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 1.23 0.00 0.00 34 F 9.63 5.05 0.00 3.00 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 35 R 8.78 5.02 0.00 1.94 1.81 0.00 3.37 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 36 L 8.67 4.47 0.00 1.58 1.62 0.96 1.26 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 37 L 8.52 3.91 0.00 1.18 1.30 0.43 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.77 4.05 0.00 2.00 1.87 1.14 1.14 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 39 V 7.27 4.88 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 0.94 0.00 0.00 40 D 8.89 4.86 0.00 2.31 2.27 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 41 T 8.43 4.80 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 1.22 0.00 0.00 42 P 0.00 4.40 0.00 2.17 2.07 0.00 3.59 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 43 E 9.95 4.81 0.00 1.98 1.79 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 2.27 2.39 0.00 44 T 7.63 4.36 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 45 K 7.77 4.25 0.00 1.71 1.70 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.51 7.81 46 H 8.89 3.91 0.00 3.34 3.30 0.00 5.80 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.62 0.00 2.16 2.13 0.00 3.71 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 1.92 1.96 0.00 48 K 8.04 3.59 0.00 1.76 1.71 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.42 7.81 49 K 8.83 4.30 0.00 1.74 1.85 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.43 7.81 50 G 8.80 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 0.00 0.00 0.00 0.00 51 V 8.58 4.54 2.06 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 0.83 0.00 0.00 0.98 0.00 0.00 52 E 8.84 4.62 0.00 1.97 1.83 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 2.27 2.50 0.00 53 K 8.39 3.88 0.00 1.65 1.71 0.00 1.46 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.16 0.81 7.81 54 Y 8.13 4.37 0.00 3.20 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 55 G 8.44 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.30 0.00 2.16 2.11 0.00 3.57 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 57 E 8.15 3.99 0.00 2.33 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 2.49 2.48 0.00 58 A 8.20 4.05 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 59 S 8.36 4.13 0.00 4.08 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 60 A 8.41 4.07 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 61 F 8.41 3.87 0.00 3.31 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 62 T 8.12 3.91 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 1.24 0.00 0.00 63 K 8.00 3.85 0.00 1.93 1.97 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.56 7.81 64 K 7.96 3.92 0.00 1.72 1.71 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.53 7.81 65 M 7.60 3.87 0.00 2.00 1.76 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 66 V 7.80 3.85 2.06 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 0.87 0.00 0.00 1.00 0.00 0.00 67 E 8.29 4.11 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 2.33 2.33 0.00 68 N 7.53 4.70 0.00 2.72 2.80 0.00 0.00 6.96 7.33 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 69 A 6.94 4.51 1.29 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 0.00 0.00 70 K 8.67 4.25 0.00 1.91 1.94 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.52 7.81 71 K 8.60 4.67 0.00 1.69 1.70 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.38 7.81 72 I 8.40 4.99 2.00 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 1.32 1.21 0.85 0.00 0.00 73 E 9.11 5.16 0.00 1.91 1.76 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 2.20 2.25 0.00 74 V 8.71 4.67 1.43 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 0.04 0.00 0.00 0.58 0.00 0.00 75 E 8.89 4.97 0.00 2.17 2.29 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 2.52 2.41 0.00 76 F 8.85 4.67 0.00 3.04 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 D 8.57 4.97 0.00 2.75 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 78 K 9.15 4.57 0.00 1.90 1.94 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.41 7.81 79 G 8.09 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 0.00 0.00 0.00 0.00 80 Q 8.58 4.16 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 81 R 8.40 4.75 0.00 1.52 1.47 0.00 2.70 0.00 0.00 2.31 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.46 0.00 82 T 7.70 5.17 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 1.13 0.00 0.00 83 D 8.53 5.00 0.00 2.81 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 84 K 8.62 3.93 0.00 1.57 1.76 0.00 1.14 0.00 0.00 1.45 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.99 0.22 7.81 85 Y 8.12 4.36 0.00 3.09 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 86 G 8.19 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 0.00 0.00 0.00 87 R 8.31 4.30 0.00 2.10 1.81 0.00 3.12 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 88 G 8.32 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 0.00 0.00 0.00 89 L 8.75 5.22 0.00 1.57 1.62 0.95 0.90 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 90 A 8.32 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.48 4.84 0.00 3.03 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 92 I 8.72 4.78 1.79 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.82 0.82 0.00 0.00 93 Y 9.01 5.09 0.00 2.82 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.96 4.98 1.21 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 0.00 0.00 0.00 95 D 10.02 4.09 0.00 2.77 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 96 G 8.53 4.01 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 0.00 0.00 0.00 97 K 7.86 4.54 0.00 1.88 1.76 0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.17 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.40 7.81 98 M 8.42 3.97 0.00 1.88 1.51 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.48 0.00 99 V 8.72 3.63 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 1.03 0.00 0.00 0.95 0.00 0.00 100 N 8.03 4.31 0.00 2.88 2.91 0.00 0.00 6.78 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 0.00 101 E 8.04 3.91 0.00 1.88 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 2.23 2.05 0.00 102 A 7.93 4.01 1.56 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 0.00 103 L 7.85 3.53 0.00 1.82 1.61 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.41 3.75 2.15 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 1.07 0.00 0.00 0.94 0.00 0.00 105 R 8.29 3.92 0.00 1.97 2.05 0.00 3.33 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 106 Q 7.63 4.28 0.00 1.81 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.25 0.00 0.00 0.00 0.00 0.00 2.31 1.92 0.00 107 G 7.89 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 0.00 108 L 7.62 4.62 0.00 1.35 1.49 0.62 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.50 4.65 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.47 4.71 0.00 1.72 1.59 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.71 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.77 1.67 7.81 111 V 9.42 4.21 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 0.79 0.00 0.00 1.00 0.00 0.00 112 A 8.96 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.78 3.33 0.00 3.08 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 0.00 114 V 7.05 3.88 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 0.83 0.00 0.00 0.87 0.00 0.00 115 Y 8.05 4.81 0.00 3.15 2.80 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 0.00 116 K 8.69 4.35 0.00 1.81 1.80 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.48 7.81 117 P 0.00 4.74 0.00 2.22 2.17 0.00 3.81 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 1.98 2.01 0.00 118 N 7.87 4.95 0.00 3.00 2.90 0.00 0.00 6.63 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 0.00 119 N 7.67 5.21 0.00 2.85 2.99 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 0.00 120 C 9.03 4.17 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 0.00 121 H 7.93 4.89 0.00 2.93 3.13 0.00 5.62 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.36 3.94 0.00 2.16 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 2.33 0.00 123 Q 8.15 3.94 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 124 H 8.23 4.20 0.00 3.21 3.43 0.00 5.74 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 0.00 125 L 8.04 3.97 0.00 1.80 1.68 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.28 3.95 0.00 1.96 1.95 0.00 3.11 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 127 K 7.92 3.94 0.00 2.08 1.84 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.51 7.81 128 S 7.84 4.11 0.00 3.94 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 0.00 129 E 8.35 3.94 0.00 2.14 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 2.17 2.53 0.00 130 A 7.83 3.73 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 0.00 131 Q 7.84 3.78 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 132 A 7.96 3.98 1.51 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 0.00 0.00 133 K 7.64 3.35 0.00 1.48 1.31 0.00 0.86 0.00 0.00 0.61 0.00 0.00 2.49 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.30 0.21 7.81 134 K 7.70 3.82 0.00 1.91 1.85 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.42 7.81 135 E 8.18 4.22 0.00 1.96 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 2.48 0.00 136 K 8.00 4.01 0.00 2.00 1.91 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.39 7.81 137 L 7.94 4.53 0.00 1.80 1.68 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.51 3.84 0.00 2.75 1.82 0.00 0.00 7.14 7.39 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 0.00 139 I 5.42 2.95 1.17 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.31 -0.25 0.00 0.00 140 W 7.71 4.69 0.00 3.29 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 0.00 141 S 7.80 5.30 0.00 4.03 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