NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0984 8.0549 120.3914 62.4931 32.5149 175.1955 2 L 3.9765 8.2614 127.3668 52.4821 42.3680 175.8815 3 S 4.5693 9.2043 117.8827 57.4612 66.4731 174.8151 4 E 4.2677 8.7485 121.7504 59.3754 29.4195 178.7142 5 G 3.6424 8.0978 105.3792 47.8623 0.0000 175.3807 6 E 3.9214 8.1181 120.9878 58.9754 29.3811 179.5015 7 W 4.4090 8.2276 119.0501 59.8193 29.0907 178.3731 8 Q 4.0825 8.6685 119.9901 59.1711 28.4685 178.3295 9 L 4.0877 7.9988 119.9453 57.5691 41.6292 179.5804 10 V 3.7402 8.0359 118.2143 66.2939 31.6085 178.1745 11 L 4.3440 8.4798 118.4776 57.4352 41.2367 179.0071 12 H 4.1989 8.3053 118.3520 59.2895 30.3061 177.4222 13 V 3.7850 7.9071 120.6061 64.4207 31.4716 178.1525 14 W 3.9279 8.5322 128.9464 60.0550 30.2760 177.8119 15 A 4.0417 8.0813 120.2742 54.9794 17.8362 179.4555 16 K 3.9169 7.6870 116.7563 59.3573 32.0288 179.7492 17 V 2.8824 6.9959 118.2028 65.4431 31.1059 177.3025 18 E 3.8574 7.3799 117.1511 58.2987 29.4518 178.0788 19 A 4.1890 7.3705 119.6544 54.1655 19.6449 177.5361 20 D 4.6666 7.8445 116.4909 52.3071 42.5939 175.6572 21 V 3.4892 7.7784 123.1504 65.7327 32.1193 176.7276 22 A 4.0475 7.9924 120.1988 55.1629 18.3326 179.7123 23 G 3.5658 8.4014 105.6383 47.6881 0.0000 175.7417 24 H 4.1799 8.2139 118.6289 58.4161 28.5922 178.1655 25 G 3.5240 8.3215 107.8911 47.7184 0.0000 175.5643 26 Q 3.8136 7.9865 122.1106 58.9877 29.0654 178.0512 27 D 4.2546 7.8886 119.7856 57.3085 40.7434 178.9564 28 I 3.6255 7.9007 120.4629 64.4310 37.1430 178.5427 29 L 3.3851 7.8429 119.9884 57.5139 41.2020 179.7169 30 I 3.6304 7.6318 119.9010 64.2249 36.9634 178.4519 31 R 3.7868 7.9756 119.6371 59.1723 29.8991 178.2091 32 L 3.9507 7.9916 120.4666 58.3656 41.7498 179.0770 33 F 4.5559 8.2042 118.0456 60.5596 38.5719 177.9675 34 K 4.0790 8.2249 117.5661 59.6263 32.0208 179.4430 35 S 4.3032 8.2343 114.5732 60.2655 64.0197 174.4820 36 H 4.6551 8.1070 118.3807 51.8202 29.2346 171.6581 37 P 4.4407 0.0000 0.0000 64.5663 31.5249 177.4623 38 E 4.0842 8.2096 116.1392 59.3902 29.3995 179.2243 39 T 4.0802 8.2215 111.5386 64.7122 68.8606 176.3386 40 L 3.5804 7.8337 122.9087 57.6424 41.7941 178.4836 41 E 4.0337 7.7399 116.9685 58.7077 29.6050 178.2676 42 K 4.4805 8.0471 116.7836 56.7972 32.7046 176.7085 43 F 4.6983 8.1859 119.2316 55.5549 37.5485 176.0603 44 D 4.3895 8.5141 127.1979 56.9921 41.0069 179.2898 45 R 3.9602 7.9245 118.3135 58.3604 30.1758 176.6169 46 F 5.0568 7.4231 113.0743 56.5057 40.6911 176.4755 47 K 4.0667 8.2849 120.2882 58.7833 32.2968 177.6413 48 H 4.4127 8.0666 114.5602 57.2930 29.0566 175.3871 49 L 4.1578 7.7400 121.8561 54.4416 41.7443 176.7012 50 K 4.4691 9.3834 123.0016 56.2715 34.3988 176.5628 51 T 4.7385 7.5196 108.1283 58.9507 73.2234 174.2678 52 E 3.9277 8.6027 121.2102 59.2002 29.7672 178.6001 53 A 3.9854 7.9388 120.4582 55.2359 18.2751 179.2836 54 E 3.9331 8.0516 115.8186 59.7831 29.9623 179.1653 55 M 4.1762 8.0750 118.6363 58.4883 31.8620 179.0857 56 K 4.0085 8.4559 117.1180 58.7562 32.2446 178.4716 57 A 4.4487 7.5050 118.8564 51.8928 19.3518 177.1262 58 S 4.2599 7.4570 113.4814 57.7452 62.7568 174.4722 59 E 4.0353 8.8756 129.1663 59.2313 29.5164 177.9505 60 D 4.4368 8.1762 117.8826 57.0614 41.2771 177.8284 61 L 3.4808 8.0705 121.0755 57.8111 42.1198 178.8211 62 K 3.8550 7.9444 119.3529 59.3229 32.2297 178.6505 63 K 3.9847 8.3867 120.3327 59.8539 32.1414 178.3482 64 H 4.4747 8.7085 118.7518 59.0858 29.7504 177.3169 65 G 3.6939 8.4334 108.0762 47.8961 0.0000 175.8234 66 V 3.6183 7.7342 119.9358 65.9141 31.5354 178.2516 67 T 3.8698 7.7386 115.2008 66.5832 68.3409 176.6887 68 V 3.5808 8.1330 120.3701 66.2139 31.5777 178.1883 69 L 4.2941 8.2268 118.7302 57.9597 41.3995 179.7322 70 T 3.9949 8.3089 115.9833 66.4857 68.5024 176.6583 71 A 3.9846 8.0209 122.7458 55.0925 18.3555 179.4909 72 L 3.7355 8.1053 119.0565 58.0681 42.1249 179.4193 73 G 3.1656 8.5421 105.9538 47.5601 0.0000 175.5796 74 A 4.0089 7.7409 122.2166 54.7468 18.6070 179.6773 75 I 3.7778 7.4290 118.1308 64.6010 37.2269 178.4706 76 L 3.9481 7.7949 120.0903 57.8776 41.2068 179.7775 77 K 3.9299 7.7593 116.6350 58.5076 32.2431 178.8091 78 K 3.9338 7.8165 118.2682 56.0441 32.7565 176.5168 79 K 2.0000 8.3036 118.3971 56.4078 29.7465 175.0218 80 G 4.0173 7.9268 105.7259 45.7866 0.0000 173.6012 81 H 4.9600 7.7592 118.2129 54.8184 27.6198 175.4845 82 H 5.4685 7.2096 113.0174 54.7809 29.4840 175.6933 83 E 3.9624 8.3398 122.8887 60.5227 29.0591 179.1339 84 A 4.0563 7.9157 118.3380 55.1346 17.2181 179.0398 85 E 4.1092 8.1210 116.7927 59.3177 29.6818 178.9966 86 L 4.3161 8.3323 120.7241 57.6308 42.1126 178.8481 87 K 3.8780 7.9233 118.2901 59.3038 32.0238 177.3969 88 P 4.2760 0.0000 0.0000 65.2800 31.2237 178.4551 89 L 3.9949 7.4986 118.3209 58.1855 41.9849 178.9255 90 A 4.1301 8.4080 121.0382 55.2611 18.3571 179.4838 91 Q 3.8215 8.1466 116.7674 59.1706 28.8546 179.4879 92 S 3.9810 8.2275 115.2351 61.8644 63.0635 176.2498 93 H 4.3044 8.6828 120.0252 57.9451 28.1855 177.7923 94 A 2.9367 7.8463 123.2167 54.7608 17.9905 179.4990 95 T 3.7459 6.9796 107.4374 62.2054 69.4234 175.8335 96 K 4.0970 7.3062 120.9532 58.5196 32.9208 177.0688 97 H 4.3137 8.1416 114.2722 56.0302 29.5233 175.5285 98 K 3.8134 7.4756 116.6872 56.1429 28.7198 175.2857 99 I 4.1847 8.4359 118.7149 58.7588 38.4373 175.0646 100 P 4.5918 0.0000 0.0000 62.2568 32.0863 177.7767 101 I 3.4692 8.5305 122.1982 64.2873 36.8179 178.7666 102 K 3.6669 7.8878 120.1290 59.6801 31.9447 178.2486 103 Y 4.0339 7.8824 116.9495 60.7693 37.7212 178.2347 104 L 4.1861 7.7595 119.7877 57.5183 41.7414 178.8613 105 E 3.9650 7.9183 119.3877 59.1422 29.5590 178.7958 106 F 4.4697 7.8185 117.8881 60.8794 38.9621 177.5972 107 I 3.8666 8.1664 118.0174 63.9340 37.6485 178.1299 108 S 4.1957 8.2444 116.4419 61.6760 62.6403 176.4309 109 E 4.0426 8.5903 121.1412 59.3125 29.0852 179.3210 110 A 4.0252 8.1300 120.9484 55.0479 18.3553 179.7349 111 I 3.6647 8.1859 118.6824 64.7464 37.2775 178.7191 112 I 3.8298 8.0574 120.7209 64.5877 36.9036 178.0312 113 H 4.1066 8.5126 119.1345 59.4132 29.8076 177.5613 114 V 3.5394 8.0841 120.2596 65.9459 31.3217 177.9814 115 L 3.7772 8.1129 119.2262 57.6941 41.0173 178.9727 116 H 4.3487 7.7139 117.6259 59.3452 29.9330 177.2567 117 S 4.1624 7.9911 116.1409 61.0296 62.7310 176.0264 118 R 4.2330 7.6572 118.4678 56.5964 31.4615 176.2137 119 H 5.0182 8.0823 116.7375 53.4135 30.1093 172.8847 120 P 4.2443 0.0000 0.0000 66.0722 31.2725 179.1165 121 G 3.7109 8.1552 106.0881 47.3918 0.0000 173.6028 122 D 5.0378 8.2940 117.7452 53.9400 41.9596 176.1657 123 F 4.9149 8.0705 119.9317 56.5158 39.4766 174.3475 124 G 3.9090 7.7476 108.7123 43.9445 0.0000 172.3503 125 A 3.8935 8.4697 120.9149 55.1379 18.1967 179.5244 126 D 4.1874 7.9461 116.9023 56.6157 39.5161 178.6309 127 A 3.8949 7.6937 121.8517 54.6382 18.3853 179.3574 128 Q 3.1423 7.6926 116.9497 58.7641 28.6921 179.3932 129 G 3.5089 8.2031 106.7443 47.6801 0.0000 175.5840 130 A 3.8288 7.8982 123.3236 55.0479 18.3529 179.4314 131 M 4.0319 8.4472 117.1919 58.7412 32.2560 177.9054 132 N 4.3441 8.5468 117.6749 56.6473 39.0355 177.0177 133 K 3.8819 8.2467 119.8184 59.2496 32.0751 179.2120 134 A 3.8339 7.8756 121.0442 55.2049 18.2607 179.7677 135 L 4.0652 8.3487 117.9311 57.8711 41.5916 179.6012 136 E 3.9749 8.4402 118.9332 59.1732 29.3050 179.0466 137 L 3.9594 8.2948 120.7491 58.0920 42.1099 178.5516 138 F 4.1419 8.2459 120.5387 61.7181 39.2151 177.3906 139 R 3.5106 8.3058 117.5695 58.7897 29.8974 179.0270 140 K 3.8416 8.2702 119.8553 59.7057 32.1370 178.7243 141 D 4.3488 8.3445 119.5109 57.2778 40.6268 178.8469 142 I 3.5114 7.6821 120.3873 64.2025 36.9447 178.2439 143 A 3.6521 8.0563 121.7508 55.0244 18.1410 179.5532 144 A 3.9537 7.8601 118.9942 55.2414 18.4529 180.0838 145 K 3.9939 7.8771 117.1853 59.6436 32.0620 179.1239 146 Y 4.0714 8.4640 117.3512 61.0957 37.8947 178.5211 147 K 3.9166 8.5130 120.7955 59.6299 32.0115 178.0972 148 E 3.9660 7.9354 118.1110 59.4201 29.7070 178.3457 149 L 4.3749 7.7882 115.6252 55.3167 41.8317 177.7663 150 G 3.7799 8.1598 107.3485 45.8823 0.0000 173.6827 151 Y 4.3828 8.4138 115.1827 56.8241 38.7592 173.7442 152 Q 4.2446 8.2055 122.5336 58.9098 28.7332 177.0401 153 G 3.4664 8.9565 112.9512 45.0076 0.0000 171.2751 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 V 8.05 4.10 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 1.06 0.00 0.00 0.96 0.00 0.00 2 L 8.26 3.98 0.00 0.66 0.62 0.48 -0.75 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 3 S 9.20 4.57 0.00 4.00 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 4 E 8.75 4.27 0.00 2.19 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 2.43 2.50 0.00 5 G 8.10 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 6 E 8.12 3.92 0.00 2.00 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 0.00 2.21 2.26 0.00 7 W 8.23 4.41 0.00 3.55 3.18 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 8 Q 8.67 4.08 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 9 L 8.00 4.09 0.00 1.96 1.72 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.04 3.74 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.89 0.00 0.00 11 L 8.48 4.34 0.00 1.86 1.81 0.92 1.24 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 12 H 8.31 4.20 0.00 3.34 3.57 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.91 3.78 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.87 0.00 0.00 14 W 8.53 3.93 0.00 3.66 3.19 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 0.00 15 A 8.08 4.04 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 16 K 7.69 3.92 0.00 1.50 1.51 0.00 1.59 0.00 0.00 1.45 0.00 0.00 2.68 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.51 1.43 7.81 17 V 7.00 2.88 0.74 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 -0.03 0.00 0.00 0.17 0.00 0.00 18 E 7.38 3.86 0.00 1.97 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 2.31 2.26 0.00 19 A 7.37 4.19 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 20 D 7.84 4.67 0.00 2.70 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.78 3.49 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 1.06 0.00 0.00 0.89 0.00 0.00 22 A 7.99 4.05 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 23 G 8.40 3.57 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 0.00 24 H 8.21 4.18 0.00 3.27 3.21 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.32 3.52 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 26 Q 7.99 3.81 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 27 D 7.89 4.25 0.00 2.80 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 28 I 7.90 3.63 1.86 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 1.50 0.74 0.88 0.00 0.00 29 L 7.84 3.39 0.00 1.22 0.68 0.71 0.92 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 30 I 7.63 3.63 1.84 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 1.37 0.72 0.88 0.00 0.00 31 R 7.98 3.79 0.00 1.88 2.12 0.00 3.06 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 32 L 7.99 3.95 0.00 1.75 1.47 1.08 1.01 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 33 F 8.20 4.56 0.00 3.11 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 34 K 8.22 4.08 0.00 1.70 1.84 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.71 7.81 35 S 8.23 4.30 0.00 3.73 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 36 H 8.11 4.66 0.00 3.03 2.82 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.44 0.00 2.14 2.11 0.00 3.81 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 2.08 2.11 0.00 38 E 8.21 4.08 0.00 2.31 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 1.98 2.36 0.00 39 T 8.22 4.08 4.58 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 1.06 0.00 0.00 40 L 7.83 3.58 0.00 1.29 1.73 -0.01 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.74 4.03 0.00 2.11 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 0.00 2.37 2.45 0.00 42 K 8.05 4.48 0.00 2.01 1.71 0.00 2.01 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.77 1.93 7.81 43 F 8.19 4.70 0.00 3.33 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 44 D 8.51 4.39 0.00 2.68 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 45 R 7.92 3.96 0.00 1.47 1.14 0.00 2.98 0.00 0.00 2.88 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.26 0.00 46 F 7.42 5.06 0.00 2.94 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 47 K 8.28 4.07 0.00 1.87 2.19 0.00 1.87 0.00 0.00 1.79 0.00 0.00 3.32 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.41 7.81 48 H 8.07 4.41 0.00 3.30 3.46 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.74 4.16 0.00 1.60 1.58 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.38 4.47 0.00 1.76 1.81 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.53 7.81 51 T 7.52 4.74 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 1.20 0.00 0.00 52 E 8.60 3.93 0.00 2.04 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 2.35 2.35 0.00 53 A 7.94 3.99 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 54 E 8.05 3.93 0.00 2.12 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 2.35 2.35 0.00 55 M 8.08 4.18 0.00 2.07 2.24 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 2.80 2.59 0.00 56 K 8.46 4.01 0.00 1.77 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.57 7.81 57 A 7.50 4.45 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 58 S 7.46 4.26 0.00 3.96 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 59 E 8.88 4.04 0.00 2.14 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 2.40 2.45 0.00 60 D 8.18 4.44 0.00 2.95 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.07 3.48 0.00 1.47 1.67 0.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.94 3.86 0.00 2.13 1.98 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 63 K 8.39 3.98 0.00 1.99 2.10 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 H 8.71 4.47 0.00 3.69 3.59 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.43 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.73 3.62 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 1.12 0.00 0.00 1.00 0.00 0.00 67 T 7.74 3.87 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 68 V 8.13 3.58 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 1.08 0.00 0.00 1.01 0.00 0.00 69 L 8.23 4.29 0.00 1.79 1.89 0.89 0.97 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 70 T 8.31 3.99 4.46 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 1.26 0.00 0.00 71 A 8.02 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.11 3.74 0.00 1.58 1.71 0.25 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.54 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 0.00 0.00 0.00 74 A 7.74 4.01 1.35 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 75 I 7.43 3.78 1.87 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.65 0.94 0.00 0.00 76 L 7.79 3.95 0.00 1.30 1.55 -0.05 0.97 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 77 K 7.76 3.93 0.00 1.64 1.79 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.51 7.81 78 K 7.82 3.93 0.00 1.91 1.80 0.00 1.87 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.77 7.81 79 K 8.30 2.00 0.00 1.19 0.74 0.00 1.45 0.00 0.00 1.38 0.00 0.00 2.70 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.39 0.89 7.81 80 G 7.93 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.76 4.96 0.00 3.16 3.24 0.00 5.58 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 82 H 7.21 5.47 0.00 3.34 3.46 0.00 5.67 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.34 3.96 0.00 2.09 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 0.00 2.41 2.48 0.00 84 A 7.92 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 85 E 8.12 4.11 0.00 2.24 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 2.40 2.43 0.00 86 L 8.33 4.32 0.00 1.96 1.67 0.76 0.88 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 87 K 7.92 3.88 0.00 1.89 1.87 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.51 7.81 88 P 0.00 4.28 0.00 2.19 2.12 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 89 L 7.50 3.99 0.00 1.88 1.88 0.95 1.32 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 90 A 8.41 4.13 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.15 3.82 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 92 S 8.23 3.98 0.00 3.94 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 93 H 8.68 4.30 0.00 3.46 3.55 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.85 2.94 -0.19 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 0.00 0.00 0.00 95 T 6.98 3.75 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 0.96 0.00 0.00 96 K 7.31 4.10 0.00 1.54 1.70 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.20 1.34 7.81 97 H 8.14 4.31 0.00 2.96 3.15 0.00 5.86 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 98 K 7.48 3.81 0.00 1.85 1.82 0.00 1.87 0.00 0.00 0.61 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.35 7.81 99 I 8.44 4.18 2.04 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 1.46 0.94 1.09 0.00 0.00 100 P 0.00 4.59 0.00 1.63 1.77 0.00 2.20 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.83 0.00 101 I 8.53 3.47 1.71 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.97 0.70 0.00 0.00 102 K 7.89 3.67 0.00 1.75 1.71 0.00 1.54 0.00 0.00 1.75 0.00 0.00 3.18 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 0.51 7.81 103 Y 7.88 4.03 0.00 3.18 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 L 7.76 4.19 0.00 1.77 1.83 0.62 1.02 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 0.00 105 E 7.92 3.97 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 106 F 7.82 4.47 0.00 3.21 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.17 3.87 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 1.08 0.00 0.00 108 S 8.24 4.20 0.00 4.19 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 0.00 109 E 8.59 4.04 0.00 2.25 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 2.68 2.60 0.00 110 A 8.13 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.19 3.66 2.13 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 1.60 0.89 1.05 0.00 0.00 112 I 8.06 3.83 2.01 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 1.72 0.85 1.18 0.00 0.00 113 H 8.51 4.11 0.00 3.39 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.08 3.54 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 0.96 0.00 0.00 115 L 8.11 3.78 0.00 0.86 0.38 0.88 0.68 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 0.00 116 H 7.71 4.35 0.00 3.55 3.51 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.99 4.16 0.00 3.77 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 0.00 118 R 7.66 4.23 0.00 1.35 1.60 0.00 3.09 0.00 0.00 2.86 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.59 0.00 119 H 8.08 5.02 0.00 3.18 3.17 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.24 0.00 2.19 2.24 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 121 G 8.16 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 0.00 0.00 0.00 122 D 8.29 5.04 0.00 2.74 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 0.00 123 F 8.07 4.91 0.00 3.02 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.75 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 0.00 125 A 8.47 3.89 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 0.00 126 D 7.95 4.19 0.00 2.82 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 0.00 127 A 7.69 3.89 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 0.00 128 Q 7.69 3.14 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.08 1.86 0.00 129 G 8.20 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 0.00 0.00 0.00 130 A 7.90 3.83 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 0.00 131 M 8.45 4.03 0.00 2.36 2.43 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.91 0.00 132 N 8.55 4.34 0.00 2.93 2.92 0.00 0.00 7.22 6.88 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 0.00 133 K 8.25 3.88 0.00 1.83 1.66 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.53 7.81 134 A 7.88 3.83 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 0.00 135 L 8.35 4.07 0.00 1.73 1.81 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.44 3.97 0.00 2.21 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 2.34 2.56 0.00 137 L 8.29 3.96 0.00 1.86 2.00 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.25 4.14 0.00 3.10 3.15 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 0.00 139 R 8.31 3.51 0.00 2.02 1.85 0.00 3.12 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.95 0.00 140 K 8.27 3.84 0.00 1.83 2.04 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 D 8.34 4.35 0.00 2.95 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 0.00 142 I 7.68 3.51 1.45 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.31 0.33 0.00 0.00 143 A 8.06 3.65 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 0.00 144 A 7.86 3.95 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 0.00 145 K 7.88 3.99 0.00 2.06 1.94 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.54 7.81 146 Y 8.46 4.07 0.00 3.09 3.09 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 0.00 147 K 8.51 3.92 0.00 1.84 2.00 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 148 E 7.94 3.97 0.00 2.05 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 0.00 2.35 2.38 0.00 149 L 7.79 4.37 0.00 2.00 1.97 0.83 1.05 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 0.00 150 G 8.16 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 0.00 151 Y 8.41 4.38 0.00 2.76 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 0.00 152 Q 8.21 4.24 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.27 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 153 G 8.96 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00