NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3575 8.3049 120.3529 57.0445 33.4320 174.9619 2 T 3.4137 8.7548 120.3205 64.3311 65.8902 170.4655 3 H 4.6352 7.4442 123.4514 54.9378 29.2922 178.1061 4 D 4.3205 8.0461 131.7805 55.0170 39.2348 174.3322 5 N 4.2797 7.5510 123.8963 52.9670 38.3954 173.7463 6 K 4.6623 7.8348 117.0760 54.9558 35.7654 174.9353 7 L 4.4346 7.8373 120.9563 54.9897 44.7066 174.0468 8 Q 4.4409 8.4936 114.2228 55.6281 30.9557 174.6406 9 V 4.4234 7.1144 109.9965 59.4657 34.8820 173.1353 10 E 4.5873 7.7206 117.1406 56.6968 33.1671 174.8295 11 A 4.1901 8.7454 122.9334 52.2836 18.1137 177.2341 12 I 4.3022 7.8922 125.8503 60.7365 39.6014 174.6714 13 K 4.0882 8.5004 120.0414 56.8705 32.6118 175.7294 14 R 4.3078 8.4168 117.3680 56.7214 31.2610 177.1835 15 G 4.6441 8.4054 102.7715 47.4125 0.0000 172.8472 16 T 3.8982 8.2092 115.5409 63.2936 69.5403 174.3196 17 V 4.5586 8.0265 123.0879 61.3172 35.9515 173.6083 18 I 4.8417 8.1569 123.9711 59.3980 40.4391 174.2012 19 D 4.8137 9.0769 125.8230 53.4971 44.0561 170.2632 20 H 4.3225 9.7815 133.5716 55.6319 30.9121 173.8700 21 I 4.5581 7.8838 125.2821 59.3282 41.3542 173.5833 22 P 4.5111 0.0000 0.0000 62.2299 32.2455 175.2721 23 A 4.2940 8.3464 121.0695 53.1335 19.2478 178.7208 24 Q 3.8352 8.7152 118.2337 56.5846 26.8384 174.4075 25 I 4.1749 7.4710 118.0170 61.7380 37.3585 177.0569 26 G 3.7181 7.6603 109.4120 46.4991 0.0000 175.4616 27 F 4.2354 8.2885 120.2016 60.3337 39.9069 177.3310 28 K 3.1447 6.9823 118.2327 59.8340 31.5559 177.9864 29 L 4.0145 7.8840 117.9716 58.6890 41.8591 178.9133 30 L 4.2283 8.1940 119.9509 56.9083 41.2045 179.1291 31 S 4.1081 7.7617 113.3069 61.8318 62.8128 176.7261 32 L 3.6912 7.6688 121.2900 56.9174 41.3741 178.1128 33 F 4.4770 7.9293 114.0416 56.1963 39.5051 176.1854 34 K 3.8863 7.3799 119.0383 57.6297 29.3231 175.2885 35 L 4.7171 8.2250 117.2259 54.2275 42.4164 178.4274 36 T 4.5259 7.1796 104.8969 62.5983 72.6591 174.2421 37 E 4.4742 8.0834 123.4370 55.9785 29.4762 176.1849 38 T 4.3408 7.2760 110.9459 61.6531 70.8463 174.2068 39 D 4.7186 8.5829 122.9657 54.5497 43.3493 174.9886 40 Q 4.3539 7.8791 119.0008 54.2006 30.3749 175.4100 41 R 4.0192 8.3824 115.2832 56.6326 30.1283 176.8543 42 I 4.9598 8.0193 127.3975 60.8160 37.7589 176.3175 43 T 4.1120 7.9974 112.5590 62.4029 69.7244 173.5096 44 I 4.4482 7.4369 116.4032 62.6589 39.3206 173.8137 45 G 4.1598 7.7631 108.1836 46.0203 0.0000 172.0642 46 L 4.9787 8.2756 121.8260 52.9473 45.2717 175.6450 47 N 4.2071 9.1778 115.7024 54.6003 36.2902 175.0439 48 L 4.7953 7.6094 115.9335 52.9717 43.6227 175.3315 49 P 4.3908 0.0000 0.0000 63.0166 31.8122 176.6798 50 S 4.4075 8.7170 113.0626 58.4437 64.4716 173.5412 51 G 3.9494 8.0980 108.7196 45.3747 0.0000 172.7197 52 E 4.7971 7.6190 125.7901 56.2287 32.5386 175.9115 53 M 4.2814 8.8084 116.6671 57.1535 31.6493 176.1081 54 G 4.2610 7.5282 108.9672 46.0458 0.0000 173.3759 55 R 4.7098 7.2459 117.2601 53.3559 34.2293 174.4827 56 K 4.5108 7.5767 115.5994 56.1962 35.4374 173.0124 57 D 5.2166 8.8856 126.3258 52.5856 44.3289 175.0059 58 L 5.1235 8.1123 120.1384 53.1754 45.8386 175.7455 59 I 4.7388 8.0762 120.4761 59.8622 41.7025 175.4120 60 K 4.5470 8.1592 123.1774 55.8882 35.4100 175.2177 61 I 5.5205 8.2385 123.5573 58.3424 41.8527 173.3203 62 E 5.1074 8.1394 123.2929 55.3409 33.0027 175.7733 63 N 4.5504 9.3827 119.4273 53.6025 37.1857 174.4874 64 T 4.6762 7.7504 115.0973 61.5630 71.1935 172.7095 65 F 5.5483 8.7390 124.4311 54.3209 41.0653 175.3983 66 L 4.0244 8.2178 127.3935 54.9071 42.5022 176.1679 67 S 4.3026 8.2900 118.4987 57.8611 62.4251 174.9133 68 E 3.9945 8.9757 127.7781 57.9426 30.1070 177.1793 69 D 5.2679 9.8715 116.5210 53.1367 42.7306 177.1923 70 Q 3.7625 8.0410 120.1116 59.2059 28.7601 179.0437 71 V 3.5008 7.7593 118.5562 66.9225 31.5507 176.8007 72 D 4.4895 8.7940 119.4444 56.9083 40.5131 178.8047 73 Q 4.0899 7.7520 119.4409 58.4068 29.4815 178.6681 74 L 4.3585 7.5021 118.7211 55.0311 43.6223 177.7824 75 A 3.8614 9.8641 111.7355 51.1282 20.1566 181.0023 76 L 3.0180 8.4818 118.2567 60.3185 43.8257 175.2020 77 Y 4.1579 8.4196 118.6975 60.7873 37.7819 177.4983 78 A 4.5046 7.7920 125.4703 49.8561 17.5135 175.3637 79 P 3.8495 0.0000 0.0000 64.8172 32.4577 175.9001 80 Q 4.5901 7.2750 117.4458 54.2867 31.6575 175.3813 81 A 4.5178 8.0129 122.7854 53.1316 22.1757 175.0054 82 T 4.9157 8.2082 110.1807 62.8962 72.6318 173.2424 83 V 4.0260 7.7489 121.3118 59.1504 32.6787 174.5331 84 N 4.7175 8.1012 116.4483 53.8180 36.7376 174.2300 85 R 3.5475 7.3419 119.0363 56.9071 31.3026 176.5738 86 I 4.5580 7.8763 122.4323 59.5471 36.7148 172.4585 87 D 4.4203 8.4463 121.3832 53.9713 42.0026 174.5612 88 N 3.8371 9.4063 123.2996 54.1830 35.8998 173.4551 89 Y 3.9280 8.7587 116.6505 58.6558 38.5243 170.3048 90 E 4.6877 8.1775 118.3856 54.1089 33.1912 173.9049 91 V 3.5622 7.9318 120.2754 63.5377 31.7743 175.9535 92 V 4.1910 7.6293 121.2117 61.8220 34.0110 173.5328 93 G 4.1575 7.5976 104.3927 46.2610 0.0000 171.5394 94 K 4.5671 8.5451 125.0792 56.2166 32.8903 176.2562 95 S 4.9255 8.6338 120.0727 56.7983 67.2204 173.0934 96 R 4.7094 8.2197 118.7289 53.7280 34.2647 174.0309 97 P 4.4050 0.0000 0.0000 63.3007 30.3168 175.0979 98 S 4.7725 8.2469 120.5067 55.9882 64.9626 173.3243 99 L 4.2230 8.2766 126.2954 54.3428 41.8984 175.6098 100 P 4.6588 0.0000 0.0000 61.6978 32.7010 176.4102 101 E 4.1070 8.7605 119.2883 59.1773 29.5264 176.9758 102 R 5.0849 7.5801 114.1500 54.7220 33.9778 175.1479 103 I 4.5183 8.2052 119.7182 60.8361 40.9441 174.6696 104 D 5.7698 8.8220 126.6958 52.2829 43.6694 176.6857 105 N 4.1637 8.0998 112.2682 54.4497 37.3719 175.6055 106 V 4.0619 7.7706 109.7300 61.1044 33.2500 175.0791 107 L 4.8017 7.7376 118.3186 52.9640 44.3166 175.9976 108 V 4.2154 7.9544 112.5650 60.2552 33.5847 174.7103 109 C 4.3734 9.3679 126.7271 56.1592 43.0223 173.2460 110 P 4.3610 0.0000 0.0000 62.7706 30.0489 175.5925 111 N 4.8636 8.2718 119.2463 52.4665 39.0715 174.9018 112 S 4.0460 8.8102 121.6606 60.6966 62.6362 174.1198 113 N 4.3551 9.0272 119.1255 52.7467 40.4082 175.9846 114 C 4.0131 8.7615 118.0664 62.6485 42.3312 176.9273 115 I 2.7416 7.8528 119.6854 63.4707 39.7241 174.8134 116 S 4.0394 7.6483 121.9122 59.1217 60.4709 172.4809 117 H 4.7776 7.8254 122.8750 57.1617 36.4255 175.0580 118 A 4.2535 7.8016 121.6643 52.5618 19.1914 176.7877 119 E 4.4648 7.3683 116.4499 54.2046 30.7464 175.9744 120 P 4.5834 0.0000 0.0000 62.0079 29.3686 175.5484 121 V 4.4627 7.2395 118.0241 60.6279 35.9716 173.8663 122 S 4.6541 8.4161 117.0501 57.4277 64.4632 173.9577 123 S 4.3328 8.7701 119.0986 58.3862 63.9497 172.5596 124 S 4.9394 8.5921 120.2037 56.1647 64.2567 171.8853 125 F 5.2045 8.1886 126.6709 56.2878 42.0585 176.2632 126 A 4.3605 8.5368 124.1792 52.2267 21.9953 176.0690 127 V 4.1178 8.5141 124.0995 63.3072 32.5931 175.7417 128 R 4.5919 8.8518 126.4289 55.3023 33.8254 173.5424 129 K 4.4787 8.6816 126.6680 55.2957 35.0504 173.6885 130 R 4.5450 8.4122 120.8379 56.0260 35.3208 174.6286 131 A 4.6947 7.1971 120.2151 53.5775 26.3000 178.1958 132 N 4.3979 8.1937 113.5186 55.1641 39.5537 175.2288 133 D 4.5268 6.8180 115.9202 53.3463 44.0676 174.2247 134 I 4.9198 8.0665 117.7133 59.9653 41.1596 174.4679 135 A 5.5047 9.5741 128.6352 50.1815 22.5914 175.1648 136 L 5.9127 8.7800 119.4449 53.9634 44.6271 174.9610 137 K 4.6891 8.8719 124.5955 54.8398 33.6939 175.2487 138 C 3.4871 9.1114 129.0802 56.5813 43.7429 174.3687 139 K 3.5840 8.5549 129.3123 59.6309 31.7718 177.6179 140 Y 4.2539 7.8632 116.4735 59.9237 38.3201 175.2363 141 C 4.5824 8.1826 112.3418 54.7940 42.7653 173.7688 142 E 4.0356 8.2887 119.1708 57.2856 27.3461 173.7660 143 K 4.5377 7.5849 118.5507 54.7438 34.2125 175.2339 144 E 5.1632 8.5643 126.1783 55.2912 31.2718 174.6710 145 F 5.0983 9.1123 123.6356 55.9272 44.3657 173.3244 146 S 5.3300 8.5947 114.0790 57.4317 64.4255 175.0661 147 H 4.0290 9.2050 119.4037 59.3147 28.1184 177.1464 148 N 4.2376 7.7269 118.6896 56.2399 38.2159 177.0926 149 V 3.5959 7.1807 113.0436 64.9052 31.8622 178.7592 150 V 3.6083 7.3185 116.3141 64.6767 32.4639 177.0909 151 L 4.3271 7.6746 119.5150 51.1199 39.7409 176.0582 152 A 4.5454 6.8378 123.3579 51.3622 21.7250 176.8267 153 N 4.5302 8.0139 116.3551 54.0444 39.3867 174.1687 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 M 8.30 4.36 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 2 T 8.75 3.41 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 1.21 0.00 0.00 3 H 7.44 4.64 0.00 3.08 2.44 0.00 5.93 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.05 4.32 0.00 2.74 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 5 N 7.55 4.28 0.00 2.90 2.90 0.00 0.00 6.06 7.13 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 6 K 7.83 4.66 0.00 1.71 1.70 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.33 1.38 7.81 7 L 7.84 4.43 0.00 1.55 1.51 1.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.49 4.44 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.54 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 9 V 7.11 4.42 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 0.73 0.00 0.00 0.93 0.00 0.00 10 E 7.72 4.59 0.00 1.87 1.82 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 2.05 2.14 0.00 11 A 8.75 4.19 1.28 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 0.00 0.00 0.00 12 I 7.89 4.30 1.89 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 1.46 0.71 0.93 0.00 0.00 13 K 8.50 4.09 0.00 1.77 2.13 0.00 1.77 0.00 0.00 2.07 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.54 7.81 14 R 8.42 4.31 0.00 2.23 1.99 0.00 3.22 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.74 0.00 15 G 8.41 4.64 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 16 T 8.21 3.90 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 0.88 0.00 0.00 17 V 8.03 4.56 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 1.06 0.00 0.00 0.99 0.00 0.00 18 I 8.16 4.84 1.92 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 1.04 0.62 0.88 0.00 0.00 19 D 9.08 4.81 0.00 2.70 2.47 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 20 H 9.78 4.32 0.00 3.34 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.88 4.56 1.89 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 1.43 0.63 0.96 0.00 0.00 22 P 0.00 4.51 0.00 2.08 2.07 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 23 A 8.35 4.29 1.28 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 0.00 0.00 0.00 24 Q 8.72 3.84 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 25 I 7.47 4.17 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.87 0.99 0.00 0.00 26 G 7.66 3.72 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 0.00 0.00 0.00 27 F 8.29 4.24 0.00 3.02 3.07 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 28 K 6.98 3.14 0.00 1.55 1.74 0.00 1.61 0.00 0.00 1.46 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.00 1.22 7.81 29 L 7.88 4.01 0.00 1.78 1.61 1.03 0.55 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 30 L 8.19 4.23 0.00 2.04 1.74 1.08 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.76 4.11 0.00 3.88 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 32 L 7.67 3.69 0.00 1.67 1.27 0.59 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.93 4.48 0.00 3.01 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 34 K 7.38 3.89 0.00 1.89 1.98 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.37 7.81 35 L 8.23 4.72 0.00 1.67 1.71 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.18 4.53 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 1.25 0.00 0.00 37 E 8.08 4.47 0.00 1.99 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 2.33 2.37 0.00 38 T 7.28 4.34 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 1.25 0.00 0.00 39 D 8.58 4.72 0.00 2.61 2.64 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 40 Q 7.88 4.35 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.10 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 41 R 8.38 4.02 0.00 1.90 2.13 0.00 2.93 0.00 0.00 3.36 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 42 I 8.02 4.96 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 1.42 0.92 0.98 0.00 0.00 43 T 8.00 4.11 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 44 I 7.44 4.45 1.88 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 1.36 0.79 1.03 0.00 0.00 45 G 7.76 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.28 4.98 0.00 1.60 1.58 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.18 4.21 0.00 2.79 2.85 0.00 0.00 6.74 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 48 L 7.61 4.80 0.00 1.61 1.59 0.91 0.96 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 49 P 0.00 4.39 0.00 2.06 2.02 0.00 3.66 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 2.02 2.06 0.00 50 S 8.72 4.41 0.00 3.73 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 51 G 8.10 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 52 E 7.62 4.80 0.00 1.93 1.86 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 2.16 2.26 0.00 53 M 8.81 4.28 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 54 G 7.53 4.26 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 0.00 55 R 7.25 4.71 0.00 1.75 1.83 0.00 3.32 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 56 K 7.58 4.51 0.00 1.67 1.65 0.00 1.12 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.16 1.01 7.81 57 D 8.89 5.22 0.00 2.70 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 58 L 8.11 5.12 0.00 1.28 1.50 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.08 4.74 1.85 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 1.21 1.69 0.91 0.00 0.00 60 K 8.16 4.55 0.00 1.66 1.71 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.39 7.81 61 I 8.24 5.52 1.88 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 1.13 2.11 1.04 0.00 0.00 62 E 8.14 5.11 0.00 2.17 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 2.31 2.30 0.00 63 N 9.38 4.55 0.00 2.97 3.02 0.00 0.00 6.74 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 T 7.75 4.68 4.31 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 1.27 0.00 0.00 65 F 8.74 5.55 0.00 2.91 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 66 L 8.22 4.02 0.00 1.50 1.45 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.29 4.30 0.00 3.82 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 E 8.98 3.99 0.00 2.00 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 2.35 2.30 0.00 69 D 9.87 5.27 0.00 2.88 2.83 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 70 Q 8.04 3.76 0.00 2.17 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 71 V 7.76 3.50 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 0.96 0.00 0.00 1.01 0.00 0.00 72 D 8.79 4.49 0.00 2.77 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 73 Q 7.75 4.09 0.00 2.31 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.78 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 74 L 7.50 4.36 0.00 1.52 1.18 0.77 0.19 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 75 A 9.86 3.86 1.02 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 76 L 8.48 3.02 0.00 1.53 1.78 0.66 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 8.42 4.16 0.00 3.12 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 78 A 7.79 4.50 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 79 P 0.00 3.85 0.00 2.04 1.99 0.00 3.64 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 80 Q 7.28 4.59 0.00 1.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 81 A 8.01 4.52 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 82 T 8.21 4.92 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 83 V 7.75 4.03 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 0.97 0.00 0.00 0.86 0.00 0.00 84 N 8.10 4.72 0.00 2.87 2.85 0.00 0.00 7.35 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 85 R 7.34 3.55 0.00 1.74 1.13 0.00 2.93 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.72 0.00 86 I 7.88 4.56 2.06 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 1.22 0.99 0.99 0.00 0.00 87 D 8.45 4.42 0.00 2.83 2.58 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 88 N 9.41 3.84 0.00 2.75 2.61 0.00 0.00 7.05 7.48 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 89 Y 8.76 3.93 0.00 3.07 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 90 E 8.18 4.69 0.00 2.03 1.86 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 2.38 2.39 0.00 91 V 7.93 3.56 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 1.01 0.00 0.00 0.94 0.00 0.00 92 V 7.63 4.19 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 0.80 0.00 0.00 0.92 0.00 0.00 93 G 7.60 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.55 4.57 0.00 1.64 1.76 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.45 7.81 95 S 8.63 4.93 0.00 3.68 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 96 R 8.22 4.71 0.00 1.60 1.74 0.00 3.35 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 97 P 0.00 4.40 0.00 2.13 2.09 0.00 3.69 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 1.95 2.06 0.00 98 S 8.25 4.77 0.00 3.83 3.70 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 99 L 8.28 4.22 0.00 1.66 1.59 0.88 1.00 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 0.00 100 P 0.00 4.66 0.00 2.37 2.01 0.00 3.69 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 2.07 2.18 0.00 101 E 8.76 4.11 0.00 2.01 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 2.41 2.28 0.00 102 R 7.58 5.08 0.00 1.67 1.85 0.00 3.43 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 103 I 8.21 4.52 1.97 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 1.41 1.13 1.05 0.00 0.00 104 D 8.82 5.77 0.00 2.63 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 0.00 105 N 8.10 4.16 0.00 2.84 2.87 0.00 0.00 6.87 7.56 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 0.00 106 V 7.77 4.06 1.94 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 0.31 0.00 0.00 1.05 0.00 0.00 107 L 7.74 4.80 0.00 1.74 1.36 0.71 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.95 4.22 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 0.69 0.00 0.00 0.90 0.00 0.00 109 C 9.37 4.37 0.00 2.98 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 0.00 110 P 0.00 4.36 0.00 1.92 1.84 0.00 2.95 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.99 0.00 111 N 8.27 4.86 0.00 2.97 2.94 0.00 0.00 7.02 7.50 0.00 0.00 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 S 8.81 4.05 0.00 3.98 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 0.00 113 N 9.03 4.36 0.00 3.04 2.79 0.00 0.00 6.60 5.12 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 0.00 114 C 8.76 4.01 0.00 3.15 3.40 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 0.00 115 I 7.85 2.74 1.86 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 1.27 0.62 0.77 0.00 0.00 116 S 7.65 4.04 0.00 3.66 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 0.00 117 H 7.83 4.78 0.00 3.20 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.80 4.25 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 0.00 119 E 7.37 4.46 0.00 1.87 1.75 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 2.33 2.28 0.00 120 P 0.00 4.58 0.00 2.15 2.06 0.00 3.71 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 1.94 1.95 0.00 121 V 7.24 4.46 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 0.62 0.00 0.00 0.56 0.00 0.00 122 S 8.42 4.65 0.00 4.05 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 0.00 123 S 8.77 4.33 0.00 3.95 4.09 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 0.00 124 S 8.59 4.94 0.00 3.94 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 0.00 125 F 8.19 5.20 0.00 3.17 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 0.00 126 A 8.54 4.36 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 0.00 127 V 8.51 4.12 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 0.72 0.00 0.00 1.02 0.00 0.00 128 R 8.85 4.59 0.00 1.92 1.90 0.00 3.09 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 129 K 8.68 4.48 0.00 1.74 1.62 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.65 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.53 7.81 130 R 8.41 4.54 0.00 1.87 1.70 0.00 3.35 0.00 0.00 3.22 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 131 A 7.20 4.69 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 0.00 132 N 8.19 4.40 0.00 2.73 2.90 0.00 0.00 6.76 8.06 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 0.00 133 D 6.82 4.53 0.00 2.87 2.76 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 0.00 0.00 0.00 134 I 8.07 4.92 1.81 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 0.96 0.60 0.94 0.00 0.00 135 A 9.57 5.50 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 0.00 136 L 8.78 5.91 0.00 1.84 1.78 0.87 0.09 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 0.00 137 K 8.87 4.69 0.00 1.92 1.80 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 138 C 9.11 3.49 0.00 3.58 3.32 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 0.00 139 K 8.55 3.58 0.00 1.56 1.33 0.00 0.66 0.00 0.00 1.20 0.00 0.00 2.77 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.13 1.19 7.81 140 Y 7.86 4.25 0.00 2.97 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 0.00 141 C 8.18 4.58 0.00 3.19 3.41 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 0.00 142 E 8.29 4.04 0.00 2.12 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 2.22 2.25 0.00 143 K 7.58 4.54 0.00 2.01 1.61 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.67 1.60 7.81 144 E 8.56 5.16 0.00 1.98 1.75 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 2.22 2.52 0.00 145 F 9.11 5.10 0.00 2.95 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 0.00 146 S 8.59 5.33 0.00 3.90 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 0.00 147 H 9.20 4.03 0.00 3.17 3.43 0.00 5.57 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 7.73 4.24 0.00 2.65 2.80 0.00 0.00 7.15 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 0.00 149 V 7.18 3.60 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 0.76 0.00 0.00 1.10 0.00 0.00 150 V 7.32 3.61 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 0.36 0.00 0.00 0.62 0.00 0.00 151 L 7.67 4.33 0.00 1.78 1.61 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 152 A 6.84 4.55 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 0.00 153 N 8.01 4.53 0.00 2.62 2.61 0.00 0.00 6.72 7.56 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