NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2709 8.2549 117.2778 56.5160 31.6990 174.0817 3 H 4.7600 8.1786 116.0188 55.8274 29.4023 174.6284 4 L 3.8698 9.5718 124.3706 56.5830 42.1323 176.3151 5 K 4.4947 7.4945 115.6308 57.0565 31.2876 176.3575 6 S 4.5909 8.7218 113.7954 55.9911 66.2620 172.8138 7 G 3.8347 9.1845 108.6590 47.0757 0.0000 172.5965 8 R 3.4576 8.0106 124.4399 51.4050 33.2342 175.1359 9 K 4.1411 7.3862 118.8702 54.9877 34.3553 176.1124 10 L 4.5336 7.4493 115.1031 54.6186 43.3783 172.8247 11 N 4.7789 9.7144 122.0006 53.7147 39.7992 174.5421 12 R 4.3430 7.1404 125.6288 56.1180 35.0270 173.8251 13 H 5.0646 7.2713 115.8732 53.9737 33.1412 174.7072 14 S 3.2305 8.4387 109.3559 59.1637 64.5826 176.0454 15 S 4.0294 9.1925 117.9880 62.1898 63.2327 175.3995 16 H 4.1458 8.3458 121.4884 57.5462 29.5911 176.8682 17 R 3.4017 8.4557 120.3722 59.3484 30.1584 178.1715 18 L 3.6214 7.9532 119.7994 58.3358 42.0432 179.0606 19 A 4.0182 7.7515 119.6865 54.4789 18.1913 179.3843 20 L 3.8068 7.9932 119.7199 58.6594 42.1359 178.5926 21 Y 4.1673 7.3868 116.5577 61.1996 37.6942 179.2234 22 R 4.0275 7.6169 118.2885 59.5387 30.4038 178.8202 23 N 4.5089 8.5095 116.5691 56.3400 38.4445 177.5925 24 Q 3.9386 8.2092 119.1992 58.8174 28.9303 177.8809 25 A 4.0422 8.1373 122.0080 55.4860 18.3975 179.5375 26 K 3.8428 8.5780 116.9018 60.3923 32.1624 179.1879 27 S 4.1657 8.0720 114.7501 60.9353 62.7283 176.3208 28 L 3.9061 8.6807 123.0577 59.2182 41.8226 178.8919 29 L 4.0674 8.2962 117.9904 56.8830 41.4474 178.6924 30 T 3.9875 8.0170 118.0804 67.5044 68.7633 175.3508 31 H 4.4257 8.7947 115.6395 56.0099 29.4446 176.2900 32 G 4.3246 8.5238 113.7717 45.3336 0.0000 173.3870 33 R 4.9867 7.6681 117.5448 53.7694 33.3741 174.7307 34 I 4.8098 8.8522 122.6201 59.8904 42.0574 174.3400 35 T 5.1389 8.4487 120.1361 62.4167 71.4541 173.4246 36 T 4.5906 8.2541 117.2534 61.1658 72.3101 173.3347 37 T 4.5934 8.1491 110.1921 61.2813 69.8236 174.8159 38 V 3.4788 7.7663 121.1854 66.3615 31.4068 176.4550 39 P 4.2071 0.0000 0.0000 65.8540 31.2656 178.4681 40 K 3.8763 7.9908 116.4101 59.4855 32.1693 178.1826 41 A 4.1592 8.1281 121.1126 54.6970 18.4740 179.3067 42 K 3.7780 8.3787 116.9002 59.9028 31.9472 179.0281 43 E 3.8186 8.0858 118.8672 59.0682 29.6159 178.2928 44 L 3.7856 7.7814 120.6865 58.4587 42.0052 178.4702 45 R 3.9152 7.5593 115.2583 59.7235 29.0338 178.4663 46 G 3.9038 7.7895 106.5769 47.1300 0.0000 174.7522 47 F 3.9731 8.0808 121.1552 61.0157 39.6685 176.8174 48 V 3.6844 7.7981 116.9695 66.2571 31.3934 177.2070 49 D 4.1602 7.9679 118.3692 58.1397 40.4214 178.7403 50 H 4.0856 8.1150 117.9764 59.0707 29.4500 176.9203 51 L 4.0252 7.9108 119.9835 57.0149 41.9904 178.8355 52 I 3.7222 7.1044 119.3800 64.5615 37.0453 177.8149 53 H 3.8728 8.2075 119.1201 58.6557 28.5724 176.8090 54 L 4.1515 7.3935 120.5606 57.3669 41.6836 178.4916 55 A 5.0430 7.8273 120.2277 54.7944 18.3290 179.3336 56 K 4.0165 7.3101 115.3450 59.0132 32.5254 178.0628 57 R 4.0724 6.7392 113.7582 56.4075 30.4903 176.9777 58 G 3.6300 8.1513 107.1865 44.7997 0.0000 173.8623 59 D 4.3704 7.8453 120.1589 53.2862 41.0111 177.1669 60 L 3.8956 8.6170 123.0473 58.9901 41.9605 178.4894 61 H 4.0346 8.4379 116.9934 59.8036 29.6987 176.4696 62 A 4.0340 8.1644 121.5550 55.2088 18.1259 179.4539 63 R 4.2882 8.0818 117.1443 60.0774 30.1599 179.1152 64 R 4.0645 8.1354 116.2707 58.5902 29.8693 178.8180 65 L 4.0987 7.9498 119.6137 57.6753 41.7634 179.3416 66 V 3.6027 7.7380 117.7567 65.1609 31.2505 177.4291 67 L 4.1756 7.6249 118.8282 56.9538 41.8880 178.6968 68 R 4.1162 7.3690 117.0193 59.6477 30.3025 178.1482 69 D 4.6232 7.9023 116.5981 56.2028 41.2444 176.4890 70 L 4.3728 7.2330 118.7940 53.9867 42.2534 176.9087 71 Q 4.2487 8.5781 124.7279 57.6865 29.4068 175.6317 72 D 4.4509 7.9285 118.0784 53.6180 42.0937 176.1034 73 V 3.3828 8.4517 126.8871 66.0099 31.5609 177.2353 74 K 3.7994 8.1959 118.7162 59.9320 32.2574 178.0169 75 L 3.9503 7.5973 120.4075 58.0681 41.8846 179.0927 76 V 3.3450 7.7576 118.3041 66.0948 31.3932 177.8789 77 R 4.0030 7.8521 117.6486 59.0154 29.7955 178.7586 78 K 3.8396 7.3144 117.7605 59.7265 32.4569 176.8019 79 L 4.2762 8.1212 120.2613 56.5876 41.0670 177.8965 80 F 4.4538 8.7892 115.6983 60.6237 40.4818 175.7567 81 D 4.8985 7.7863 121.4655 50.1688 38.4372 175.6259 82 E 5.5546 7.4046 134.2770 57.6629 31.1050 178.4778 83 I 4.0031 7.8826 119.7402 64.2061 37.2666 178.2107 84 A 4.2882 7.5661 118.4743 55.0324 18.2117 177.5948 85 P 4.2411 0.0000 0.0000 66.1237 31.2208 178.6928 86 R 3.8761 7.3883 113.7887 58.0193 30.1359 176.8158 87 Y 4.7161 7.8785 115.5282 57.4604 39.4009 177.4335 88 R 3.8418 8.0917 122.1415 59.5777 30.1300 176.6996 89 D 4.7566 8.0124 113.4836 54.0008 41.1511 176.0651 90 R 4.4135 8.2575 120.3355 55.2161 31.3438 176.2825 91 Q 4.4079 8.3676 124.6839 52.2258 28.3687 174.1018 92 G 3.7528 8.3214 107.1503 44.7161 0.0000 171.3889 93 G 3.8848 8.1837 102.2821 46.8678 0.0000 172.9937 94 Y 4.1841 8.8398 116.2708 58.6617 39.6022 176.5009 95 T 5.0915 7.8882 113.6460 60.0970 70.6070 172.7218 96 R 4.7644 9.0193 127.2324 54.5884 33.9753 174.6186 97 V 4.8643 8.2683 123.2266 61.5900 34.3249 174.0486 98 L 4.7227 8.8971 129.4167 52.6947 43.7539 176.3410 99 K 4.3752 8.6374 124.2486 56.3453 32.5273 177.2290 100 L 4.4133 8.3349 124.6446 54.3662 42.7451 176.4143 101 A 4.3718 8.4057 123.4755 51.1297 20.7243 173.7419 102 E 3.6163 8.5725 124.9272 56.0974 28.5349 175.1444 103 R 4.3793 8.2342 119.6698 54.0994 31.0568 176.0991 104 R 3.8043 8.2884 119.1541 57.0775 30.0860 176.4641 105 R 4.3823 8.4951 125.2636 55.2101 28.3371 175.8247 106 G 4.6625 8.2786 124.8064 44.5690 0.0000 171.0502 107 D 5.4645 8.5971 132.0841 52.8148 39.6678 176.3582 108 G 3.8710 7.4161 107.9125 46.9971 0.0000 173.3403 109 A 4.8217 7.9069 119.1174 49.1021 22.2992 175.6852 110 P 4.5910 0.0000 0.0000 63.1915 32.8218 176.1294 111 L 5.2311 8.4445 122.7154 53.5542 45.0272 174.6080 112 A 4.9654 8.8985 120.0731 51.0178 23.1316 174.9580 113 L 4.6656 9.1326 122.9244 53.5679 44.2091 175.4463 114 V 5.0611 8.6243 125.9852 61.1677 34.5552 174.1012 115 E 5.3575 8.9189 124.1249 54.6589 33.9776 173.6396 116 L 4.8125 8.3992 119.8247 53.5088 42.2659 177.3849 117 V 3.6952 8.2682 124.7789 63.4111 32.2383 175.6904 118 E 4.6429 8.5881 125.9627 57.2123 29.6749 175.8573 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 2 R 8.25 4.27 0.00 1.86 1.99 0.00 3.02 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.70 0.00 3 H 8.18 4.76 0.00 3.28 3.11 0.00 5.72 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 9.57 3.87 0.00 1.85 1.78 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.49 4.49 0.00 1.87 1.82 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.43 7.81 6 S 8.72 4.59 0.00 3.85 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 9.18 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 8 R 8.01 3.46 0.00 1.93 1.98 0.00 3.42 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 9 K 7.39 4.14 0.00 1.89 1.84 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.23 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.70 1.54 7.81 10 L 7.45 4.53 0.00 1.62 1.61 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 N 9.71 4.78 0.00 2.63 2.69 0.00 0.00 7.20 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.14 4.34 0.00 1.72 1.58 0.00 2.97 0.00 0.00 2.71 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.13 0.00 13 H 7.27 5.06 0.00 3.31 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.44 3.23 0.00 4.09 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 15 S 9.19 4.03 0.00 4.07 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 0.00 16 H 8.35 4.15 0.00 2.70 3.05 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.46 3.40 0.00 1.73 1.87 0.00 3.08 0.00 0.00 2.92 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.90 0.00 18 L 7.95 3.62 0.00 1.62 1.71 0.91 1.56 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 19 A 7.75 4.02 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 20 L 7.99 3.81 0.00 1.66 1.57 0.94 0.81 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 21 Y 7.39 4.17 0.00 2.46 1.48 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 22 R 7.62 4.03 0.00 1.99 2.19 0.00 3.18 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 23 N 8.51 4.51 0.00 2.86 2.88 0.00 0.00 7.12 6.86 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 24 Q 8.21 3.94 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 25 A 8.14 4.04 1.61 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 0.00 0.00 26 K 8.58 3.84 0.00 1.99 1.91 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.77 7.81 27 S 8.07 4.17 0.00 4.10 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.68 3.91 0.00 1.65 1.89 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.30 4.07 0.00 1.78 1.61 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.02 3.99 4.42 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 1.03 0.00 0.00 31 H 8.79 4.43 0.00 3.26 3.34 0.00 5.72 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 32 G 8.52 4.32 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 0.00 33 R 7.67 4.99 0.00 1.66 1.82 0.00 3.24 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 34 I 8.85 4.81 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.28 0.92 0.00 0.00 35 T 8.45 5.14 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 1.25 0.00 0.00 36 T 8.25 4.59 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 1.22 0.00 0.00 37 T 8.15 4.59 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 38 V 7.77 3.48 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 1.09 0.00 0.00 0.99 0.00 0.00 39 P 0.00 4.21 0.00 2.20 2.10 0.00 3.67 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 40 K 7.99 3.88 0.00 1.76 1.87 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.52 7.81 41 A 8.13 4.16 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 42 K 8.38 3.78 0.00 1.89 1.90 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.66 7.81 43 E 8.09 3.82 0.00 2.20 1.74 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 2.29 2.08 0.00 44 L 7.78 3.79 0.00 1.82 1.83 0.93 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.56 3.92 0.00 1.98 2.15 0.00 2.86 0.00 0.00 3.17 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.67 0.00 46 G 7.79 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.08 3.97 0.00 2.75 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.80 3.68 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 0.94 0.00 0.00 1.07 0.00 0.00 49 D 7.97 4.16 0.00 2.90 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 50 H 8.12 4.09 0.00 3.17 3.31 0.00 5.77 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 51 L 7.91 4.03 0.00 1.63 1.53 0.65 0.85 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 52 I 7.10 3.72 1.30 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.76 0.44 0.00 0.00 53 H 8.21 3.87 0.00 2.80 3.07 0.00 5.58 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.39 4.15 0.00 1.85 1.72 0.91 0.95 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 55 A 7.83 5.04 1.48 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 0.00 0.00 56 K 7.31 4.02 0.00 1.86 1.83 0.00 1.80 0.00 0.00 1.91 0.00 0.00 3.60 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.58 7.81 57 R 6.74 4.07 0.00 1.88 1.87 0.00 3.13 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 58 G 8.15 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 7.85 4.37 0.00 2.92 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 60 L 8.62 3.90 0.00 1.74 1.76 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 61 H 8.44 4.03 0.00 3.28 3.53 0.00 5.94 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 62 A 8.16 4.03 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 63 R 8.08 4.29 0.00 2.25 2.31 0.00 3.22 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.17 0.00 64 R 8.14 4.06 0.00 1.82 1.98 0.00 3.24 0.00 0.00 3.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 65 L 7.95 4.10 0.00 1.93 1.66 0.67 0.55 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 66 V 7.74 3.60 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 0.75 0.00 0.00 0.80 0.00 0.00 67 L 7.62 4.18 0.00 1.87 1.77 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.37 4.12 0.00 1.94 1.97 0.00 3.21 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 1.66 1.90 0.00 69 D 7.90 4.62 0.00 2.63 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.23 4.37 0.00 1.61 1.58 0.81 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.58 4.25 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 72 D 7.93 4.45 0.00 2.78 2.52 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 73 V 8.45 3.38 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 0.99 0.00 0.00 0.93 0.00 0.00 74 K 8.20 3.80 0.00 1.90 1.89 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.60 7.81 75 L 7.60 3.95 0.00 1.85 1.80 0.88 0.89 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 76 V 7.76 3.35 2.23 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 0.74 0.00 0.00 0.76 0.00 0.00 77 R 7.85 4.00 0.00 2.05 1.97 0.00 3.25 0.00 0.00 3.13 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 78 K 7.31 3.84 0.00 1.80 2.03 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.63 7.81 79 L 8.12 4.28 0.00 1.83 1.53 0.66 0.83 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 80 F 8.79 4.45 0.00 3.17 2.86 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 81 D 7.79 4.90 0.00 2.81 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 82 E 7.40 5.55 0.00 2.02 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 2.07 2.10 0.00 83 I 7.88 4.00 2.07 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 1.82 1.01 1.15 0.00 0.00 84 A 7.57 4.29 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.24 0.00 2.17 2.14 0.00 3.76 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 86 R 7.39 3.88 0.00 1.12 1.74 0.00 2.99 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.93 0.00 87 Y 7.88 4.72 0.00 3.31 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.09 3.84 0.00 1.90 1.99 0.00 3.42 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 89 D 8.01 4.76 0.00 2.70 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.26 4.41 0.00 1.72 1.77 0.00 2.81 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 91 Q 8.37 4.41 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.34 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 92 G 8.32 3.75 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 0.00 0.00 0.00 93 G 8.18 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 0.00 0.00 0.00 94 Y 8.84 4.18 0.00 2.77 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 0.00 0.00 0.00 95 T 7.89 5.09 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 1.35 0.00 0.00 96 R 9.02 4.76 0.00 1.89 1.72 0.00 3.10 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 97 V 8.27 4.86 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 0.93 0.00 0.00 0.93 0.00 0.00 98 L 8.90 4.72 0.00 1.60 1.56 0.93 0.67 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 99 K 8.64 4.38 0.00 1.64 1.75 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.47 7.81 100 L 8.33 4.41 0.00 1.71 1.60 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.41 4.37 1.23 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 0.00 0.00 0.00 102 E 8.57 3.62 0.00 2.13 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 2.21 2.28 0.00 103 R 8.23 4.38 0.00 1.99 1.92 0.00 3.05 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 104 R 8.29 3.80 0.00 2.04 2.07 0.00 3.08 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 105 R 8.50 4.38 0.00 1.84 1.89 0.00 3.37 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 106 G 8.28 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.60 5.46 0.00 2.87 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 0.00 108 G 7.42 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 0.00 109 A 7.91 4.82 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 0.00 110 P 0.00 4.59 0.00 2.13 2.20 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 111 L 8.44 5.23 0.00 1.57 1.70 0.97 0.98 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 0.00 112 A 8.90 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 9.13 4.67 0.00 1.74 1.54 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.62 5.06 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 1.03 0.00 0.00 0.93 0.00 0.00 115 E 8.92 5.36 0.00 2.07 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 2.21 2.17 0.00 116 L 8.40 4.81 0.00 1.68 1.90 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.27 3.70 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.96 0.00 0.00 118 E 8.59 4.64 0.00 2.11 1.77 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 1.99 2.13 0.00