NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4104 8.2893 120.3486 55.3859 33.1519 174.6470 2 N 4.6934 8.5936 123.9647 51.2927 39.0285 172.9617 3 I 4.6035 8.8020 121.2033 59.5732 41.9133 176.2484 4 I 4.3844 8.3278 123.8085 59.5993 38.5964 175.1659 5 K 4.4532 8.6243 124.7828 54.4006 34.1340 176.1380 6 A 4.5864 8.3882 126.3008 50.7314 21.1951 174.9650 7 N 5.0673 8.1696 116.6886 51.9365 41.7731 175.5655 8 V 3.9127 8.1202 114.1611 62.6390 32.3329 176.3859 9 A 4.2361 8.1082 123.6519 52.1574 18.7050 177.8996 10 A 4.6084 8.2424 121.4856 51.2581 21.7750 174.1298 11 P 4.8096 0.0000 0.0000 64.9410 32.1519 178.9691 12 D 4.5495 8.0733 115.3239 54.3235 40.4591 175.7984 13 A 4.6359 7.6787 124.6600 51.7957 20.3385 178.2911 14 R 4.8221 9.5396 120.3004 55.1090 32.9068 175.8939 15 V 4.9205 8.8468 124.3937 59.9969 34.7291 173.9410 16 A 4.9317 8.5360 128.8602 50.1155 21.4350 175.2342 17 I 4.7750 8.7161 123.8133 59.5913 39.4020 174.6913 18 T 4.9138 8.4569 117.5773 59.9681 70.8345 173.4290 19 I 5.1615 8.4094 126.4888 58.2047 40.5927 174.4881 20 A 5.0099 8.4486 127.8636 51.3433 19.1828 177.9212 21 R 4.4446 9.3343 119.4780 58.4410 30.2872 177.0245 22 F 4.6329 8.2104 121.0343 60.0489 39.6822 174.4112 23 N 4.6475 9.8900 123.5564 54.4166 35.6924 175.9407 24 Q 4.1938 8.3599 120.4094 59.5954 27.9884 178.2962 25 F 3.8572 8.5173 121.3552 60.9644 39.4352 176.3224 26 I 4.2325 8.3422 118.9331 63.6492 37.6941 177.7367 27 N 4.3797 8.2768 116.5892 56.2620 38.2701 176.9663 28 D 4.4592 8.7705 120.9735 57.6274 40.9729 178.8172 29 S 4.0854 7.9538 113.0064 60.9111 62.4384 175.4112 30 L 4.0328 7.7881 123.3649 58.6886 41.6632 178.3117 31 L 3.8518 8.3775 120.3893 57.7235 41.9555 178.5778 32 D 4.4952 8.4956 118.4957 57.3655 40.9556 179.8535 33 G 3.5487 8.1226 105.7793 47.7358 0.0000 175.3508 34 A 3.9250 7.8235 123.4134 54.7223 18.4328 179.3391 35 V 3.4344 7.9037 116.6544 66.2968 31.5527 177.3231 36 D 4.3116 8.0943 117.1717 57.7489 40.9451 177.7988 37 A 3.8969 8.3015 120.9721 55.8177 18.3945 179.0318 38 L 3.8679 8.5551 116.5124 59.3009 41.8886 179.8190 39 T 4.2174 8.3278 111.0291 63.9489 68.6020 176.2423 40 R 3.8597 8.1258 123.9667 58.3108 30.6728 178.0655 41 I 4.0678 8.0198 117.1976 63.5727 37.7799 177.1292 42 G 3.7595 7.9536 106.5485 45.0503 0.0000 173.8837 43 Q 3.7721 8.2306 119.7102 56.5193 28.0677 172.8587 44 V 3.9417 7.4801 116.5470 61.9589 32.2269 175.1650 45 K 4.2763 8.5735 128.8515 56.2251 32.5453 176.5839 46 D 4.7424 8.8070 124.4602 53.9937 39.1374 176.2007 47 D 4.7960 7.9769 117.1908 53.7551 40.2179 176.3181 48 N 4.7151 8.6217 117.7043 53.6789 39.3795 174.1260 49 I 4.9431 7.5940 120.2358 60.3285 38.3792 175.2019 50 T 4.7028 8.7337 117.3307 59.6943 71.8816 173.0473 51 V 4.5999 8.3980 123.6612 61.0799 34.0760 174.5184 52 V 4.3047 9.0122 129.4086 60.8248 33.6162 174.5005 53 W 4.8797 8.9850 129.0681 56.5162 29.5689 176.5390 54 V 4.3343 8.6676 119.0599 59.0918 33.6828 174.6314 55 P 4.3380 0.0000 0.0000 65.0259 31.2222 177.3125 56 G 4.4801 7.9643 108.2511 42.9449 0.0000 174.0780 57 A 4.0552 8.4846 120.4402 54.8425 18.0924 179.1916 58 Y 4.2170 8.1800 117.0402 60.6673 39.1201 177.4552 59 E 4.1277 8.1636 119.0092 58.1233 29.6420 178.5130 60 L 3.8934 7.5902 119.3551 58.2403 41.6050 177.0424 61 P 4.1897 0.0000 0.0000 64.6105 31.0653 178.0534 62 L 3.9113 7.6466 118.0387 58.4475 42.4303 179.2669 63 A 3.9816 7.7782 120.0825 55.6527 18.3260 179.8385 64 T 3.8335 8.0989 108.1826 64.5102 68.7050 176.1969 65 E 3.8438 9.0213 122.9705 59.1784 29.6701 178.2650 66 A 4.0124 8.0840 120.7346 55.6446 18.1860 179.6196 67 L 4.1213 7.6446 115.0172 57.8758 41.9033 179.5055 68 A 4.2253 8.2946 120.8099 55.1690 18.2386 179.8185 69 K 3.8973 8.2179 116.1788 59.6308 32.1338 178.9904 70 S 4.1968 8.0895 112.9043 59.4408 61.5109 175.8784 71 G 3.9635 8.4386 108.0680 45.6009 0.0000 175.3044 72 K 3.9161 7.7335 120.3384 58.2566 32.3331 176.2614 73 Y 5.0547 6.9071 115.4382 56.2054 40.4811 175.3316 74 D 4.7284 9.1932 122.0681 56.0136 41.8496 176.4093 75 A 4.5367 7.3801 117.4247 51.2174 22.5559 175.0717 76 V 4.7412 8.1778 119.8239 61.0356 34.6742 174.5187 77 V 4.3361 8.7469 128.3621 61.5793 33.3334 174.2038 78 A 4.9960 8.6548 130.4464 49.7619 20.7569 175.2685 79 L 5.2534 7.9986 123.1474 52.6672 44.4475 176.3631 80 G 4.2232 7.7431 108.3252 46.2118 0.0000 171.8799 81 T 5.0834 8.1764 116.2296 61.5101 71.9984 174.4820 82 V 4.2197 9.0544 125.3141 61.3380 34.1074 173.8681 83 I 4.7942 8.1839 128.6882 59.5792 38.6561 176.0036 84 R 3.6344 8.4230 127.7263 56.5523 30.3095 176.3901 85 G 4.4324 8.3341 115.8573 44.3511 0.0000 172.9656 86 G 3.6472 8.7805 107.7097 47.4076 0.0000 173.3074 87 T 4.5238 7.5947 108.4082 59.7133 71.4804 173.5270 88 A 4.4682 8.3666 121.3071 52.7403 18.8516 178.6734 89 H 4.2926 8.3159 120.0757 60.2459 29.7086 176.9148 90 F 4.0652 8.4778 121.9817 61.5366 38.9958 176.6326 91 E 3.5951 8.0091 118.4911 59.4990 29.4085 178.3692 92 Y 4.3421 7.4203 115.9185 60.8924 38.2419 177.2995 93 V 3.6961 7.7065 119.2784 65.6966 31.5680 177.6582 94 A 4.0825 7.9168 120.2717 55.3714 18.1259 179.6061 95 G 3.6334 8.1017 104.6543 47.7062 0.0000 175.9946 96 G 3.8618 8.6542 108.1759 45.8314 0.0000 174.7191 97 A 4.3089 7.8686 122.6461 54.2319 19.7320 179.1556 98 S 4.1735 8.2026 111.6672 61.8546 62.3940 176.2719 99 N 4.4346 8.5251 119.4978 55.9357 38.2886 177.4552 100 G 3.7236 7.6907 106.0239 48.0579 0.0000 175.5688 101 L 3.9897 8.0673 121.7367 57.2240 41.8300 179.5649 102 A 3.9931 8.1006 120.6509 55.0486 18.2548 179.5465 103 S 3.9648 8.3546 111.8964 61.5395 62.4418 176.1767 104 V 3.5477 7.7023 120.7150 66.2507 31.0953 177.7104 105 A 4.3811 7.7731 120.9169 54.8190 18.0105 179.4222 106 Q 3.8877 7.6598 116.3486 59.2346 29.1482 177.8085 107 D 4.5284 8.0868 119.4224 56.9921 41.2352 178.4763 108 S 4.3534 8.3681 113.1568 58.7006 63.4757 175.6292 109 G 3.8923 8.1313 109.5208 45.6837 0.0000 173.7284 110 V 3.9749 7.5579 121.0052 61.5909 33.1056 173.5878 111 P 4.5819 0.0000 0.0000 62.6720 32.4592 175.1366 112 V 4.9269 8.4193 123.7507 61.0226 33.9137 174.2369 113 A 4.4689 8.8299 130.2229 50.9137 20.4974 176.2397 114 F 4.6894 9.0134 126.6632 56.1835 38.4610 175.8758 115 G 3.9696 8.0726 117.8242 44.9154 0.0000 170.9506 116 V 4.6089 6.1335 117.4766 60.5949 33.9222 176.0521 117 L 4.2638 8.7770 129.5069 55.1026 42.8030 176.6194 118 T 4.8620 8.5028 112.8263 59.8903 68.9591 172.6058 119 T 4.6087 8.7138 121.0291 61.0084 71.9537 175.1432 120 E 4.1436 9.9205 120.9126 57.2868 30.4975 177.2006 121 S 4.6958 7.5751 112.0504 55.6193 67.5893 174.7971 122 I 3.6770 8.2346 123.1422 64.2541 36.5854 177.9944 123 E 3.9085 8.1778 119.0674 59.7153 29.7865 178.6133 124 Q 4.2872 8.1093 117.4318 58.8683 28.7632 178.5634 125 A 4.0260 7.7630 121.8955 55.4525 18.1784 179.7491 126 I 3.7615 7.8780 118.1391 64.6304 37.1292 178.5548 127 E 4.5460 8.0915 120.3543 58.1070 29.2973 178.4329 128 R 4.5397 7.9771 115.7769 55.6903 30.5503 176.6437 129 A 4.7776 7.2060 121.6400 52.7482 19.4782 177.2426 130 G 4.4548 8.1143 108.0484 48.0934 0.0000 175.4543 131 T 4.6121 7.5240 114.7825 60.1597 68.7974 175.7175 132 K 3.8080 9.1702 117.1799 59.3762 31.7798 178.0416 133 A 4.5557 7.7656 119.2541 52.1035 19.9272 178.9357 134 G 3.7532 8.1497 110.7206 47.2353 0.0000 173.7663 135 N 5.2374 8.2330 117.4163 50.9130 40.8882 175.4864 136 K 3.9735 8.9095 128.8562 59.3629 32.0727 178.7711 137 G 4.0885 8.2853 107.5873 47.3864 0.0000 175.5316 138 A 4.0292 7.8573 123.1060 54.2271 18.4888 179.2771 139 E 3.8669 8.3676 117.9939 59.3458 29.7735 178.8369 140 A 4.0544 8.6757 122.3861 54.4469 18.4049 179.3703 141 A 3.9227 8.2422 119.5599 55.3644 18.3737 179.9495 142 L 3.9374 8.0317 117.6491 58.1578 41.4323 179.8976 143 T 3.8502 8.1523 109.3799 64.5172 68.5473 176.1918 144 A 4.0069 8.0229 124.0396 54.9819 18.3136 179.0362 145 L 3.8673 7.8996 116.7451 58.2604 41.8276 179.3697 146 E 4.1810 8.3671 120.1878 59.0770 29.4072 178.9584 147 M 4.0504 7.9802 117.9999 58.3529 31.9272 178.3891 148 I 3.6955 7.6759 119.9539 64.8932 37.2952 178.1542 149 N 4.3267 7.9589 116.6733 56.2420 38.1585 177.5532 150 V 3.5755 7.9378 119.0691 66.1573 31.7331 177.8963 151 L 4.0792 8.3767 118.9067 57.6846 41.3937 179.1368 152 K 3.8437 8.1811 118.8519 59.5252 32.0750 176.8867 153 A 4.4863 8.0111 119.8155 51.9111 19.4846 177.2868 154 I 3.9264 7.9773 128.3562 63.6289 38.7624 174.7251 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 8.29 4.41 0.00 1.99 2.06 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 2.48 2.54 0.00 2 N 8.59 4.69 0.00 2.94 2.79 0.00 0.00 6.06 6.93 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 3 I 8.80 4.60 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.91 0.00 0.00 4 I 8.33 4.38 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 0.91 0.00 0.00 5 K 8.62 4.45 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.39 4.59 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 7 N 8.17 5.07 0.00 2.73 2.64 0.00 0.00 6.87 7.71 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 8 V 8.12 3.91 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 0.93 0.00 0.00 9 A 8.11 4.24 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 10 A 8.24 4.61 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 11 P 0.00 4.81 0.00 2.23 2.37 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 12 D 8.07 4.55 0.00 2.69 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 13 A 7.68 4.64 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.54 4.82 0.00 1.41 1.78 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.85 4.92 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 0.88 0.00 0.00 0.95 0.00 0.00 16 A 8.54 4.93 0.27 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 17 I 8.72 4.77 1.68 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 1.16 0.89 0.73 0.00 0.00 18 T 8.46 4.91 4.14 0.00 0.00 0.00 0.00 0.00 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 19 I 8.41 5.16 0.73 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.41 0.47 0.00 0.00 20 A 8.45 5.01 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 21 R 9.33 4.44 0.00 2.07 2.50 0.00 2.87 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.63 0.00 22 F 8.21 4.63 0.00 3.15 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 23 N 9.89 4.65 0.00 2.96 2.98 0.00 0.00 6.87 7.74 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 24 Q 8.36 4.19 0.00 2.51 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.52 3.86 0.00 3.16 3.21 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 26 I 8.34 4.23 2.12 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 1.67 0.78 0.95 0.00 0.00 27 N 8.28 4.38 0.00 2.87 2.91 0.00 0.00 7.08 8.08 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 28 D 8.77 4.46 0.00 2.65 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 29 S 7.95 4.09 0.00 3.81 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 30 L 7.79 4.03 0.00 1.92 1.63 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.38 3.85 0.00 1.78 1.77 0.77 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.50 4.50 0.00 2.86 2.71 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 33 G 8.12 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.82 3.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 3.43 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 0.97 0.00 0.00 0.92 0.00 0.00 36 D 8.09 4.31 0.00 2.83 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 37 A 8.30 3.90 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 38 L 8.56 3.87 0.00 1.83 1.73 0.88 0.69 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 39 T 8.33 4.22 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 1.23 0.00 0.00 40 R 8.13 3.86 0.00 1.81 2.24 0.00 3.24 0.00 0.00 3.61 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 41 I 8.02 4.07 2.07 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.96 0.91 0.00 0.00 42 G 7.95 3.76 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 0.00 0.00 0.00 43 Q 8.23 3.77 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 44 V 7.48 3.94 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 0.87 0.00 0.00 1.02 0.00 0.00 45 K 8.57 4.28 0.00 1.80 1.68 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.81 4.74 0.00 2.83 2.75 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 47 D 7.98 4.80 0.00 2.78 2.81 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 0.00 0.00 0.00 0.00 48 N 8.62 4.72 0.00 2.86 2.99 0.00 0.00 6.92 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.59 4.94 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 0.88 0.00 0.00 50 T 8.73 4.70 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 1.47 0.00 0.00 51 V 8.40 4.60 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 0.44 0.00 0.00 0.83 0.00 0.00 52 V 9.01 4.30 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 0.94 0.00 0.00 0.86 0.00 0.00 53 W 8.98 4.88 0.00 3.21 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 54 V 8.67 4.33 2.14 0.00 0.00 0.00 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 55 P 0.00 4.34 0.00 2.19 2.30 0.00 3.75 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 2.16 2.04 0.00 56 G 7.96 4.48 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 0.00 57 A 8.48 4.06 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.18 4.22 0.00 2.92 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 59 E 8.16 4.13 0.00 2.04 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 2.62 2.58 0.00 60 L 7.59 3.89 0.00 1.79 1.71 0.88 0.75 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 61 P 0.00 4.19 0.00 2.03 1.84 0.00 3.66 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 2.05 2.09 0.00 62 L 7.65 3.91 0.00 1.63 1.66 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.78 3.98 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 64 T 8.10 3.83 4.19 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 1.23 0.00 0.00 65 E 9.02 3.84 0.00 1.99 2.18 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 2.31 2.33 0.00 66 A 8.08 4.01 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 67 L 7.64 4.12 0.00 1.78 1.70 0.66 0.77 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 68 A 8.29 4.23 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 69 K 8.22 3.90 0.00 1.86 1.91 0.00 1.75 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 1.64 1.60 7.81 70 S 8.09 4.20 0.00 3.92 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 0.00 71 G 8.44 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 0.00 0.00 0.00 72 K 7.73 3.92 0.00 1.42 0.75 0.00 1.58 0.00 0.00 1.47 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.84 1.12 7.81 73 Y 6.91 5.05 0.00 3.17 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 74 D 9.19 4.73 0.00 2.55 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 75 A 7.38 4.54 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 76 V 8.18 4.74 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 0.96 0.00 0.00 0.86 0.00 0.00 77 V 8.75 4.34 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 0.80 0.00 0.00 0.88 0.00 0.00 78 A 8.65 5.00 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 79 L 8.00 5.25 0.00 1.39 1.40 0.80 0.66 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 80 G 7.74 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 0.00 0.00 0.00 0.00 81 T 8.18 5.08 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 1.19 0.00 0.00 82 V 9.05 4.22 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 0.93 0.00 0.00 0.87 0.00 0.00 83 I 8.18 4.79 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 0.84 0.00 0.00 84 R 8.42 3.63 0.00 0.67 1.39 0.00 3.07 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.17 0.00 85 G 8.33 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.78 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.59 4.52 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 1.24 0.00 0.00 88 A 8.37 4.47 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 89 H 8.32 4.29 0.00 3.27 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.48 4.07 0.00 3.09 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 91 E 8.01 3.60 0.00 1.95 1.12 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 0.00 2.01 2.18 0.00 92 Y 7.42 4.34 0.00 2.99 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 93 V 7.71 3.70 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 1.04 0.00 0.00 0.74 0.00 0.00 94 A 7.92 4.08 0.96 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 0.00 0.00 95 G 8.10 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 96 G 8.65 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 0.00 0.00 0.00 97 A 7.87 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.20 4.17 0.00 3.76 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 99 N 8.53 4.43 0.00 2.79 2.83 0.00 0.00 6.96 8.38 0.00 0.00 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 G 7.69 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 0.00 101 L 8.07 3.99 0.00 2.04 1.82 1.03 0.92 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 0.00 102 A 8.10 3.99 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 0.00 103 S 8.35 3.96 0.00 3.96 4.03 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 0.00 104 V 7.70 3.55 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 1.04 0.00 0.00 0.92 0.00 0.00 105 A 7.77 4.38 1.46 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 0.00 0.00 0.00 106 Q 7.66 3.89 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.09 4.53 0.00 2.69 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 0.00 108 S 8.37 4.35 0.00 4.02 4.04 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 0.00 109 G 8.13 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 0.00 110 V 7.56 3.97 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 0.96 0.00 0.00 1.01 0.00 0.00 111 P 0.00 4.58 0.00 2.12 1.97 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.42 4.93 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 0.86 0.00 0.00 0.97 0.00 0.00 113 A 8.83 4.47 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 0.00 114 F 9.01 4.69 0.00 3.00 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 0.00 115 G 8.07 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 0.00 116 V 6.13 4.61 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 0.67 0.00 0.00 -0.05 0.00 0.00 117 L 8.78 4.26 0.00 1.61 1.57 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.50 4.86 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 119 T 8.71 4.61 4.41 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 1.23 0.00 0.00 120 E 9.92 4.14 0.00 1.93 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 2.31 2.30 0.00 121 S 7.58 4.70 0.00 3.95 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 0.00 122 I 8.23 3.68 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.54 0.86 0.00 0.00 123 E 8.18 3.91 0.00 1.93 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 2.29 2.49 0.00 124 Q 8.11 4.29 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.76 4.03 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 0.00 126 I 7.88 3.76 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.00 0.99 0.00 0.00 127 E 8.09 4.55 0.00 2.29 2.01 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 2.34 2.39 0.00 128 R 7.98 4.54 0.00 1.87 1.94 0.00 3.12 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.21 4.78 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 0.00 130 G 8.11 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.52 4.61 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 0.00 132 K 9.17 3.81 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.49 7.81 133 A 7.77 4.56 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 0.00 134 G 8.15 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 0.00 135 N 8.23 5.24 0.00 2.70 2.65 0.00 0.00 6.93 7.02 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 0.00 136 K 8.91 3.97 0.00 1.82 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.48 7.81 137 G 8.29 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 0.00 0.00 0.00 138 A 7.86 4.03 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 0.00 139 E 8.37 3.87 0.00 2.04 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 2.31 2.33 0.00 140 A 8.68 4.05 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.24 3.92 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 0.00 142 L 8.03 3.94 0.00 2.00 1.72 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.15 3.85 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 1.24 0.00 0.00 144 A 8.02 4.01 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 0.00 145 L 7.90 3.87 0.00 1.86 1.89 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.37 4.18 0.00 2.02 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 2.32 2.24 0.00 147 M 7.98 4.05 0.00 2.11 2.34 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.89 0.00 148 I 7.68 3.70 2.05 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 1.68 0.92 0.92 0.00 0.00 149 N 7.96 4.33 0.00 2.90 2.86 0.00 0.00 6.74 8.67 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 0.00 150 V 7.94 3.58 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 0.83 0.00 0.00 0.96 0.00 0.00 151 L 8.38 4.08 0.00 1.95 1.69 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.18 3.84 0.00 1.81 2.09 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.01 4.49 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 0.00 154 I 7.98 3.93 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.67 0.91 0.00 0.00