NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3869 0.0000 0.0000 61.9272 32.1203 176.0113 3 K 3.9961 8.6116 123.6070 55.2427 32.6354 175.5412 4 K 4.0370 10.0086 127.0452 56.8962 34.0021 175.6245 5 V 4.7614 8.3082 125.6330 61.3144 33.2195 174.5702 6 L 4.6575 8.3888 128.3393 53.5743 44.4411 175.9050 7 T 4.8095 7.4747 109.7540 60.7273 71.1978 173.2594 8 G 4.0060 8.3418 113.9580 45.6762 0.0000 171.1544 9 V 5.1964 8.3330 113.3282 58.5191 35.2599 175.5262 10 V 4.4092 8.2659 123.8568 63.0998 32.1112 176.4273 11 V 4.3983 8.7560 120.0882 61.2446 33.6154 175.0999 12 S 4.8013 7.5889 114.4958 56.5625 66.3947 172.8883 13 D 5.1306 8.2390 123.2524 53.1359 40.3371 177.5618 14 K 4.0789 8.3223 120.9279 59.8379 32.2310 177.2699 15 M 4.3049 7.8071 117.1228 55.1135 32.5521 175.2822 16 Q 4.3110 8.4769 118.9381 55.6635 29.6407 176.8235 17 K 4.7402 8.9760 120.0463 56.6374 30.1282 174.8759 18 T 5.2725 7.5685 114.4092 61.9304 72.0881 173.9464 19 V 4.5445 8.4601 116.7278 60.1203 36.6028 174.3955 20 T 4.7470 8.2841 120.4071 62.5518 69.9720 173.7827 21 V 4.6028 8.7388 127.6720 61.1142 33.7200 174.0880 22 L 4.8778 9.2068 131.2828 53.7849 43.9429 175.1969 23 V 4.5978 8.6518 125.2659 61.5096 34.8234 175.1989 24 E 5.0534 8.7532 127.0790 57.0211 32.1835 175.2782 25 R 4.7533 7.4191 116.4038 57.0924 31.2804 173.3409 26 Q 5.1277 8.4332 120.0037 54.4944 32.5404 174.3870 27 F 4.8425 7.9466 113.9835 55.5905 41.6584 171.3385 28 P 5.1181 0.0000 0.0000 61.9485 32.0170 175.9612 29 H 4.5273 9.4888 125.6367 55.5932 30.3177 174.4868 30 P 4.2648 0.0000 0.0000 65.0000 31.1232 176.6233 31 L 4.4670 8.2897 117.7769 54.8188 44.3251 176.0105 32 Y 4.5554 7.9013 113.8349 56.9157 39.7088 176.8033 33 G 4.2547 8.5672 111.7260 45.3672 0.0000 173.7828 34 K 3.8952 7.6381 119.7358 56.9477 33.4347 176.7369 35 V 4.6048 8.4203 120.0024 60.6373 31.4101 175.3101 36 I 4.2430 8.3144 119.8788 59.4877 39.7369 175.2607 37 K 4.8464 7.9089 122.6966 55.2634 34.3962 175.6160 38 R 4.5699 7.6709 117.3094 55.9380 34.0037 173.4341 39 S 4.9390 8.8257 119.0271 56.6539 66.6842 172.8871 40 K 4.5995 9.0451 121.3246 54.7115 35.8754 174.7678 41 K 5.0175 8.4529 125.2563 54.9600 33.9589 175.1382 42 Y 4.7448 8.9990 122.5012 56.0984 41.6455 175.1028 43 L 4.7675 8.6668 122.5103 53.8490 43.0729 175.4726 44 A 5.7252 8.7712 126.4518 50.1481 21.9010 174.9760 45 H 5.0706 8.6289 119.8068 55.4918 32.0459 173.9170 46 D 4.5240 9.0144 125.0695 51.9929 42.4451 173.6720 47 P 4.2562 0.0000 0.0000 65.0893 31.9157 177.2522 48 E 4.3625 8.0089 116.7626 59.7666 30.0392 177.3338 49 E 3.8681 7.3901 115.6053 57.8933 26.5153 176.5815 50 K 4.3790 8.1824 118.0451 56.5505 33.1194 175.5091 51 Y 4.5155 8.3014 117.6795 56.5195 39.7273 175.3827 52 K 4.6108 8.4087 125.0530 54.7316 35.4039 174.7076 53 L 4.3099 8.2997 120.6972 56.1446 42.7234 177.0313 54 G 3.9355 9.4916 114.9191 46.0481 0.0000 172.0074 55 D 5.1249 7.9952 118.4101 51.9295 44.6091 175.3942 56 V 4.2261 8.7767 124.5546 62.8936 32.3976 174.6460 57 V 4.9024 8.4803 125.1748 59.9386 35.6353 173.7645 58 E 4.8129 8.3714 119.8340 55.6963 33.3181 175.0506 59 I 4.7233 8.7083 125.8053 59.8404 39.7050 174.6243 60 I 5.1308 8.3596 125.3616 58.7327 41.3122 174.2072 61 E 3.3844 8.9834 129.8571 57.0604 30.1135 175.9896 62 S 4.5429 7.7835 120.8130 57.4644 67.6472 173.3489 63 R 4.0979 8.3255 120.3896 54.8800 30.5807 174.0458 64 P 4.1662 0.0000 0.0000 63.5184 31.5597 176.1156 65 I 3.9797 8.2213 124.5397 63.1295 38.1473 175.6909 66 S 4.4841 7.3158 111.6785 57.1907 65.7173 175.3511 67 K 4.0472 8.6147 121.6880 57.8277 32.4159 176.3234 68 R 4.1842 8.8332 127.4238 57.5970 29.1191 177.3742 69 K 4.6133 7.1985 115.8846 56.2732 32.5468 177.8619 70 R 4.7328 8.5911 118.1759 56.2393 36.3445 174.2726 71 F 5.9020 8.3204 118.1889 54.8326 42.4109 174.5900 72 R 4.8645 8.5044 121.3064 54.4522 33.0525 176.0312 73 V 3.5610 7.9350 121.5717 62.7843 30.7193 175.8199 74 L 4.2261 9.2531 131.2821 56.8075 42.4194 176.8042 75 R 4.5476 7.4758 112.2129 55.8566 32.4969 171.8251 76 L 4.5364 8.6557 121.4140 54.0915 42.7064 175.3680 77 V 4.0816 9.4544 129.4718 63.4600 31.0756 174.9732 78 E 4.8418 7.9209 116.8081 54.4784 33.5194 174.1755 79 S 4.6741 8.8191 115.7176 57.8898 63.9590 173.5107 80 G 3.8901 10.4000 116.0257 46.8706 0.0000 174.2481 81 R 5.1003 8.3792 130.2760 53.6482 31.7066 177.7173 82 M 4.1018 8.3697 119.6570 58.2079 31.5640 177.5666 83 D 4.3457 8.1810 119.1653 56.3103 39.3209 178.4364 84 L 4.1487 8.1775 120.4940 57.2074 41.8493 179.1023 85 V 3.6919 7.7382 117.7143 66.0430 31.2777 177.8884 86 E 3.9479 8.5146 118.4672 59.4803 29.1797 179.2160 87 K 3.7480 7.4648 115.9460 60.5373 32.2997 177.6479 88 Y 4.2781 8.8098 120.4115 58.2995 38.6080 178.3141 89 L 3.5981 8.5577 119.2677 57.5258 42.3136 179.7736 90 I 3.6399 8.4936 120.7163 64.2525 36.8743 178.3312 91 R 3.8256 7.9307 117.9981 58.2442 30.2041 177.6126 92 R 2.9654 7.1565 117.4562 58.0381 30.2601 177.7296 93 Q 3.8658 7.4354 119.4612 59.1638 28.9129 177.5620 94 N 4.1855 7.7815 116.9973 57.1320 38.5799 176.9174 95 Y 4.5948 7.0001 117.0155 61.4372 37.7871 178.7269 96 E 4.1369 7.8483 118.0193 58.3515 29.6166 177.9567 97 S 4.8451 8.8988 114.2223 58.0946 63.3600 174.6067 98 L 4.6827 7.8280 120.0552 55.3489 43.4546 177.4380 99 S 4.5442 7.7714 112.6562 57.9230 64.9610 174.3045 100 K 4.1224 8.2466 119.0951 57.4057 32.8518 175.8604 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 P 0.00 4.39 0.00 2.20 2.16 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 3 K 8.61 4.00 0.00 1.74 1.88 0.00 1.73 0.00 0.00 1.88 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.48 7.81 4 K 10.01 4.04 0.00 2.01 1.88 0.00 1.47 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.44 7.81 5 V 8.31 4.76 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 0.86 0.00 0.00 1.00 0.00 0.00 6 L 8.39 4.66 0.00 1.30 1.33 -0.18 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.47 4.81 4.35 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 1.25 0.00 0.00 8 G 8.34 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 9 V 8.33 5.20 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 1.10 0.00 0.00 0.94 0.00 0.00 10 V 8.27 4.41 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.04 0.00 0.00 11 V 8.76 4.40 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 0.48 0.00 0.00 0.80 0.00 0.00 12 S 7.59 4.80 0.00 3.88 3.66 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 13 D 8.24 5.13 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.32 4.08 0.00 1.79 1.94 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.49 7.81 15 M 7.81 4.30 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 16 Q 8.48 4.31 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.15 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 17 K 8.98 4.74 0.00 2.05 1.97 0.00 1.94 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.44 7.81 18 T 7.57 5.27 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 19 V 8.46 4.54 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 0.82 0.00 0.00 0.97 0.00 0.00 20 T 8.28 4.75 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 1.19 0.00 0.00 21 V 8.74 4.60 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 1.01 0.00 0.00 0.87 0.00 0.00 22 L 9.21 4.88 0.00 1.47 1.44 0.85 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.65 4.60 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 1.01 0.00 0.00 0.94 0.00 0.00 24 E 8.75 5.05 0.00 2.00 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 2.28 2.24 0.00 25 R 7.42 4.75 0.00 2.00 2.09 0.00 3.24 0.00 0.00 3.46 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 26 Q 8.43 5.13 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.87 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 27 F 7.95 4.84 0.00 3.02 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 28 P 0.00 5.12 0.00 2.06 2.19 0.00 3.90 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 29 H 9.49 4.53 0.00 3.28 3.40 0.00 5.60 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 30 P 0.00 4.26 0.00 2.20 2.17 0.00 3.44 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 31 L 8.29 4.47 0.00 1.44 1.54 0.61 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.90 4.56 0.00 2.94 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 33 G 8.57 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 0.00 0.00 0.00 0.00 34 K 7.64 3.90 0.00 1.91 1.78 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 35 V 8.42 4.60 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 0.78 0.00 0.00 0.93 0.00 0.00 36 I 8.31 4.24 1.66 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 0.95 -0.34 0.87 0.00 0.00 37 K 7.91 4.85 0.00 1.59 1.71 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.35 7.81 38 R 7.67 4.57 0.00 1.85 1.78 0.00 3.13 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 39 S 8.83 4.94 0.00 3.93 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 40 K 9.05 4.60 0.00 1.76 1.64 0.00 1.50 0.00 0.00 1.52 0.00 0.00 2.14 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.51 1.11 7.81 41 K 8.45 5.02 0.00 1.57 1.64 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.18 1.35 7.81 42 Y 9.00 4.74 0.00 2.61 2.66 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 43 L 8.67 4.77 0.00 1.67 1.67 0.95 0.84 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 44 A 8.77 5.73 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 45 H 8.63 5.07 0.00 3.25 3.19 0.00 5.83 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 9.01 4.52 0.00 2.79 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 47 P 0.00 4.26 0.00 2.20 2.10 0.00 3.76 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 48 E 8.01 4.36 0.00 2.14 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 0.00 2.28 2.32 0.00 49 E 7.39 3.87 0.00 2.05 2.35 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 2.30 2.28 0.00 50 K 8.18 4.38 0.00 1.75 1.95 0.00 1.32 0.00 0.00 1.55 0.00 0.00 2.71 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.30 0.74 7.81 51 Y 8.30 4.52 0.00 3.18 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 52 K 8.41 4.61 0.00 1.86 1.85 0.00 1.63 0.00 0.00 1.94 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.34 7.81 53 L 8.30 4.31 0.00 1.65 1.63 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 54 G 9.49 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 0.00 0.00 0.00 55 D 8.00 5.12 0.00 2.72 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 56 V 8.78 4.23 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 0.98 0.00 0.00 0.98 0.00 0.00 57 V 8.48 4.90 2.11 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 0.81 0.00 0.00 0.85 0.00 0.00 58 E 8.37 4.81 0.00 1.98 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 2.18 2.25 0.00 59 I 8.71 4.72 1.55 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.73 0.31 0.00 0.00 60 I 8.36 5.13 1.90 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 1.14 1.69 1.01 0.00 0.00 61 E 8.98 3.38 0.00 2.18 1.78 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 2.13 1.90 0.00 62 S 7.78 4.54 0.00 3.76 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 63 R 8.33 4.10 0.00 1.72 1.77 0.00 3.39 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 64 P 0.00 4.17 0.00 2.04 1.99 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 65 I 8.22 3.98 1.80 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.65 0.68 0.00 0.00 66 S 7.32 4.48 0.00 4.03 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 67 K 8.61 4.05 0.00 1.74 1.77 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.49 7.81 68 R 8.83 4.18 0.00 2.03 2.08 0.00 3.27 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 69 K 7.20 4.61 0.00 2.03 1.76 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.39 7.81 70 R 8.59 4.73 0.00 1.84 1.54 0.00 3.09 0.00 0.00 3.46 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 71 F 8.32 5.90 0.00 2.90 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 72 R 8.50 4.86 0.00 1.77 1.84 0.00 3.16 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 73 V 7.94 3.56 1.68 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 nan 0.00 0.00 0.63 0.00 0.00 74 L 9.25 4.23 0.00 1.80 1.68 0.93 0.95 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 75 R 7.48 4.55 0.00 1.93 2.03 0.00 3.02 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 76 L 8.66 4.54 0.00 1.98 1.72 1.08 0.90 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 77 V 9.45 4.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.94 0.00 0.00 78 E 7.92 4.84 0.00 2.04 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 2.24 2.27 0.00 79 S 8.82 4.67 0.00 3.84 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 80 G 10.40 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 81 R 8.38 5.10 0.00 1.84 1.86 0.00 3.32 0.00 0.00 3.56 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 82 M 8.37 4.10 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.56 0.00 83 D 8.18 4.35 0.00 2.87 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 84 L 8.18 4.15 0.00 1.79 1.75 0.92 0.71 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 85 V 7.74 3.69 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 1.22 0.00 0.00 0.95 0.00 0.00 86 E 8.51 3.95 0.00 2.02 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 0.00 2.49 2.50 0.00 87 K 7.46 3.75 0.00 1.99 1.92 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.75 7.81 88 Y 8.81 4.28 0.00 3.02 3.01 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 89 L 8.56 3.60 0.00 1.95 1.62 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.49 3.64 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.15 0.84 0.00 0.00 91 R 7.93 3.83 0.00 1.82 1.83 0.00 3.24 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 92 R 7.16 2.97 0.00 1.34 1.73 0.00 2.93 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 93 Q 7.44 3.87 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.47 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 94 N 7.78 4.19 0.00 2.60 2.83 0.00 0.00 7.05 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 95 Y 7.00 4.59 0.00 3.21 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 96 E 7.85 4.14 0.00 2.04 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 0.00 2.37 2.38 0.00 97 S 8.90 4.85 0.00 3.82 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 98 L 7.83 4.68 0.00 1.77 1.72 1.01 0.90 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 S 7.77 4.54 0.00 3.98 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 0.00 100 K 8.25 4.12 0.00 1.71 1.67 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.43 7.81