NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.7556 8.4449 117.8373 56.2755 29.9867 172.8540 1D H 4.7035 8.6988 117.8540 55.5246 29.6043 172.6647 1E H 5.1048 7.6138 115.8996 53.6166 33.4824 172.0697 1F H 4.5922 8.9750 117.1501 56.1057 28.7929 174.3720 1G F 4.8172 8.4518 119.1064 57.8397 39.9508 174.0836 2 N 4.6108 8.5169 117.2704 52.3885 38.8225 174.3750 3 L 4.7702 8.0656 123.4448 51.9304 44.0227 174.7686 4 P 4.4431 0.0000 0.0000 61.6714 32.1476 174.8573 5 P 4.3291 0.0000 0.0000 62.7056 32.6029 176.3354 6 G 3.9568 8.7787 104.6780 45.5814 0.0000 171.4737 7 N 4.4430 7.8931 113.9384 51.6824 40.0976 174.4062 8 Y 4.9648 7.9613 117.3440 58.3210 38.7619 177.9690 9 K 4.0066 8.6659 122.9001 58.6163 32.2766 177.3678 10 K 4.7368 7.2176 113.8782 53.3699 35.6693 173.8992 11 P 4.8614 0.0000 0.0000 63.0326 32.5957 174.8218 12 K 4.7789 9.2404 119.2148 56.0816 36.9227 174.2566 13 L 5.0687 9.3548 120.3617 53.2234 44.2788 176.4302 14 L 4.8371 8.6515 123.8964 53.7061 42.2836 174.1161 15 Y 4.4593 9.1917 126.3231 57.0211 40.1950 173.5276 16 C 3.8192 8.3899 128.9080 57.8501 32.0877 174.3300 17 S 3.8425 8.0794 122.3016 60.9723 62.5669 175.4267 18 N 4.1519 8.0540 119.1167 55.9652 38.7901 175.4088 19 G 3.8818 7.6569 103.8079 44.6194 0.0000 173.2393 20 G 3.2270 7.8381 107.7122 44.0219 0.0000 173.0611 21 H 4.7984 7.4060 115.4410 53.9968 31.3924 174.0829 22 F 5.1537 8.9904 120.8993 55.9471 40.6191 175.2421 23 L 4.5278 8.9855 126.1930 55.4593 43.1151 175.6413 24 R 4.9219 9.7218 126.4248 54.6046 33.7226 173.9490 25 I 4.7378 8.1184 126.2418 59.3986 38.7978 175.7420 26 L 4.1068 8.8670 128.1334 53.4351 42.2888 176.8321 27 P 4.1426 0.0000 0.0000 65.8355 31.2772 177.1987 28 D 4.5844 8.0134 114.7213 53.3303 39.5295 177.2090 29 G 4.1448 8.4333 109.9938 45.5247 0.0000 174.0130 30 T 4.1966 8.4941 118.3460 63.4156 68.9440 173.3874 31 V 4.8140 8.1129 125.9266 61.2644 33.7894 174.4555 32 D 4.5865 8.6533 125.6254 53.0410 42.7345 174.1383 33 G 4.6232 8.6299 104.6391 45.4871 0.0000 172.3237 34 T 5.0129 8.7789 114.9842 60.6540 71.0301 174.6440 35 R 4.4180 8.8412 124.4531 56.7003 31.1082 176.2194 36 D 4.4883 8.0868 118.8552 53.9900 40.3965 176.7511 37 R 3.7821 8.4906 126.2615 57.6619 30.2703 177.7261 38 S 4.4163 8.4133 112.2006 58.0314 63.7369 174.1252 39 D 4.3179 7.7525 122.2642 54.9435 41.1680 175.7060 40 Q 4.5036 8.4410 122.5014 56.1014 29.2292 175.5663 41 H 4.8937 9.1275 115.7657 55.8751 29.1858 175.1679 42 I 4.5190 7.4382 111.1640 60.0606 38.3785 175.3860 43 Q 4.2395 7.8313 121.7718 55.8639 29.5534 174.6467 44 L 4.9159 8.9093 124.9511 52.7773 45.2079 175.5120 45 Q 4.8270 9.2663 124.9451 54.5208 30.7643 174.4132 46 L 5.4727 8.7907 126.4473 53.1910 43.6647 176.0146 47 S 4.4803 8.0936 114.1723 57.1199 66.5798 172.5738 48 A 5.4042 8.3885 122.0130 51.3936 21.0906 176.6383 49 E 4.2227 8.9246 119.8810 56.6007 29.6765 178.6376 50 S 4.5494 5.8100 112.9882 56.9724 64.7425 173.6453 51 V 3.7535 8.2663 121.4447 65.0806 31.5397 176.4276 52 G 3.9400 9.2763 114.8950 45.0964 0.0000 171.9174 53 E 5.2461 8.2772 119.7903 54.6972 32.2589 175.5841 54 V 4.8827 8.9718 115.9360 59.9177 36.8468 173.8508 55 Y 5.0775 8.7866 120.2197 56.4596 40.8196 175.1120 56 I 4.4669 8.5574 123.3371 59.5471 40.0524 174.2117 57 K 4.8859 8.6062 128.5646 54.0877 35.7188 175.0353 58 S 4.6290 8.7356 122.0783 58.5487 62.7426 175.0336 59 T 3.9221 8.5298 118.2190 64.5697 68.8702 175.9548 60 E 4.0759 8.3897 122.5209 58.3863 29.8648 177.0331 61 T 4.3567 7.9499 105.9692 60.5652 70.2757 175.3298 62 G 3.8441 8.1882 109.8202 45.3980 0.0000 173.7959 63 Q 4.4807 7.5195 118.9589 56.1108 30.1684 174.7862 64 Y 4.7547 9.3220 120.1970 56.4787 40.2820 175.0197 65 L 4.5248 8.9411 125.4784 55.1979 43.5251 175.5292 66 A 4.9314 8.7044 125.7010 50.6493 23.1828 174.4219 67 M 5.3285 8.5477 119.5548 53.8522 34.8847 175.6588 68 D 5.2627 9.7414 126.2340 51.7736 41.1676 177.0114 69 T 4.1812 8.5471 108.3515 63.9507 68.6615 174.4644 70 D 4.6939 8.4722 120.6407 54.0088 41.5941 176.9622 71 G 3.3293 8.6576 108.7353 45.1288 0.0000 173.0514 72 L 4.6849 8.1671 120.0636 53.3119 42.8694 175.9933 73 L 5.1567 8.3359 122.8666 54.9630 42.8151 175.5682 74 Y 4.9743 8.9106 119.6364 56.0935 41.8510 173.4683 75 G 4.4102 8.9439 108.3456 45.0945 0.0000 173.2278 76 S 5.0886 9.0129 118.2803 56.3981 65.4241 175.0101 77 Q 4.0213 9.0503 123.9092 57.7637 29.0435 176.1319 78 T 4.6659 7.5508 106.5058 58.7338 71.7294 171.3682 79 P 4.0362 0.0000 0.0000 61.5906 32.8046 174.9806 80 N 4.8255 7.9516 117.4389 51.8378 39.6026 174.1727 81 E 3.9197 8.7768 115.0776 59.6398 29.2069 177.5534 82 E 4.1528 8.6827 117.7372 57.2080 29.7997 177.8679 83 V 4.4243 7.3194 110.7874 60.4669 32.7687 175.7831 84 L 4.3571 7.2425 121.1571 53.8914 43.1089 175.7467 85 F 5.2309 8.8708 121.2320 55.6033 43.5051 174.2891 86 L 4.8954 9.2466 122.8738 53.6223 42.7447 175.3719 87 E 4.5064 8.7462 126.6871 55.3109 30.3073 175.7920 88 R 4.8113 8.4444 125.0881 54.0394 34.7924 174.6209 89 L 4.7027 8.6241 123.9498 55.2795 43.1052 175.8067 90 E 4.7241 9.1125 124.5829 55.1911 33.6783 174.8176 91 E 4.0073 9.7732 122.9493 57.8352 27.3633 174.4647 92 N 4.3257 8.5546 110.3694 54.1771 36.6455 174.0075 93 H 4.7812 8.6478 116.5095 57.6876 36.1986 173.4756 94 Y 4.6871 7.7794 116.0018 57.4829 40.0234 173.7939 95 N 5.4970 9.6746 118.4872 51.9353 41.2026 174.5457 96 T 5.2462 8.8698 113.0843 60.1164 72.9098 172.6908 97 Y 5.0318 8.6447 119.2134 56.5987 41.3840 174.2141 98 I 4.5755 8.4113 126.0937 59.2160 39.4247 175.5915 99 S 3.9876 8.8177 122.3054 58.6659 62.4548 174.1002 100 K 3.9643 8.6479 129.0475 59.3670 32.2952 178.7028 101 K 3.7559 7.9058 118.2486 59.1362 32.2010 176.7718 102 H 4.6407 7.9661 114.3721 55.1547 29.2982 176.1758 103 A 3.9396 7.7365 126.0265 55.3601 18.1600 180.8147 104 E 3.8754 8.0341 111.7297 58.4341 29.6533 177.5898 105 K 4.1229 7.7598 117.7058 55.3666 32.8070 175.6532 106 N 3.9212 7.7498 115.6803 53.9495 36.5160 174.6818 107 W 5.0272 7.7654 117.6668 55.9705 30.8299 177.1175 108 F 5.4724 9.2470 123.9367 55.4537 41.1739 175.6514 109 V 3.9473 8.9510 121.6887 62.9969 32.4681 175.2539 110 G 4.4546 8.6560 113.1305 45.0563 0.0000 171.2148 111 L 5.2784 8.5924 121.1477 52.5526 45.2075 177.0581 112 K 4.2744 9.2131 123.0238 55.2758 33.0510 178.3600 113 K 3.8690 8.4089 119.7356 59.3103 31.9546 177.9396 114 N 4.4968 8.0230 113.8875 52.9118 37.7985 175.8584 115 G 3.5356 8.3358 108.9012 45.1506 0.0000 173.0442 116 S 4.9322 8.3456 115.2274 56.7905 65.2578 173.7397 117 C 4.7393 8.5046 119.5537 59.9878 28.6227 173.6844 118 K 4.3519 8.9524 122.3471 55.9388 33.3555 176.5289 119 R 4.4549 8.2864 120.6307 54.6292 31.8452 177.7809 120 G 3.4365 8.6124 113.1864 48.2120 0.0000 174.1869 121 P 4.2593 0.0000 0.0000 64.4017 31.3629 177.3494 122 R 4.3800 8.0406 116.0145 56.0897 30.3116 176.0842 123 T 5.2561 7.4931 108.2326 59.5965 71.1007 173.3898 124 H 4.7016 7.9772 114.8816 54.9804 30.4263 173.1291 125 Y 3.9675 8.7951 118.5319 60.2459 38.1027 177.0184 126 G 4.1001 9.0306 111.2223 45.5889 0.0000 174.0670 127 Q 4.2065 7.4865 118.7511 55.2938 29.7789 177.1586 128 K 3.8542 8.3009 119.1360 58.5177 32.9039 179.3956 129 A 3.9751 8.0713 121.4147 53.9847 18.3396 178.4662 130 I 4.4774 7.1857 105.6805 60.2725 38.4542 175.1956 131 L 4.3840 7.2620 122.8385 54.0182 42.5895 175.7913 132 F 5.3873 9.4384 122.7932 55.4938 43.3428 174.2121 133 L 5.1790 9.1877 122.6320 52.7520 45.1540 173.7480 134 P 5.1479 0.0000 0.0000 62.8272 31.4757 175.3602 135 L 4.8452 9.1967 126.6256 52.3908 43.7859 174.9579 136 P 4.6800 0.0000 0.0000 62.8423 32.3148 176.7332 137 V 3.7860 8.1887 113.1935 61.8466 31.6083 176.2958 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 1C H 8.44 4.76 0.00 3.12 3.45 0.00 5.65 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 1D H 8.70 4.70 0.00 3.16 3.19 0.00 5.64 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.61 5.10 0.00 3.15 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.97 4.59 0.00 3.33 3.41 0.00 5.66 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 1G F 8.45 4.82 0.00 2.96 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 2 N 8.52 4.61 0.00 2.97 2.79 0.00 0.00 6.88 6.74 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 3 L 8.07 4.77 0.00 1.48 1.42 0.63 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.44 0.00 2.18 2.14 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 5 P 0.00 4.33 0.00 2.17 2.12 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 6 G 8.78 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 7 N 7.89 4.44 0.00 2.59 2.64 0.00 0.00 5.81 7.55 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 8 Y 7.96 4.96 0.00 3.06 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 9 K 8.67 4.01 0.00 1.84 1.90 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.55 7.81 10 K 7.22 4.74 0.00 1.78 1.68 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.35 7.81 11 P 0.00 4.86 0.00 2.07 2.05 0.00 3.77 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 1.99 1.96 0.00 12 K 9.24 4.78 0.00 1.99 1.98 0.00 1.36 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.66 7.81 13 L 9.35 5.07 0.00 1.84 1.83 0.71 0.91 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 14 L 8.65 4.84 0.00 1.59 1.61 0.32 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.19 4.46 0.00 3.14 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 16 C 8.39 3.82 0.00 2.39 2.42 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 17 S 8.08 3.84 0.00 3.85 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.05 4.15 0.00 2.52 2.62 0.00 0.00 6.76 7.98 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 19 G 7.66 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 20 G 7.84 3.23 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 0.00 21 H 7.41 4.80 0.00 3.01 3.26 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.99 5.15 0.00 3.13 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 23 L 8.99 4.53 0.00 1.81 1.51 0.95 0.19 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 24 R 9.72 4.92 0.00 1.91 2.04 0.00 3.25 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 25 I 8.12 4.74 1.85 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 1.19 0.74 0.90 0.00 0.00 26 L 8.87 4.11 0.00 1.87 1.53 0.93 0.86 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 27 P 0.00 4.14 0.00 2.00 2.11 0.00 3.55 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.87 0.00 28 D 8.01 4.58 0.00 2.79 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 29 G 8.43 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 0.00 0.00 0.00 0.00 30 T 8.49 4.20 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 1.22 0.00 0.00 31 V 8.11 4.81 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 0.94 0.00 0.00 32 D 8.65 4.59 0.00 2.85 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 33 G 8.63 4.62 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 0.00 0.00 0.00 34 T 8.78 5.01 4.33 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 1.34 0.00 0.00 35 R 8.84 4.42 0.00 1.89 2.05 0.00 3.24 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 36 D 8.09 4.49 0.00 2.76 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 37 R 8.49 3.78 0.00 1.76 1.77 0.00 3.38 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.66 0.00 38 S 8.41 4.42 0.00 3.90 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 39 D 7.75 4.32 0.00 2.81 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.50 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.14 1.91 0.00 41 H 9.13 4.89 0.00 3.34 3.49 0.00 5.79 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.44 4.52 1.93 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.93 0.98 0.00 0.00 43 Q 7.83 4.24 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 44 L 8.91 4.92 0.00 1.51 1.44 0.80 0.81 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 45 Q 9.27 4.83 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 46 L 8.79 5.47 0.00 1.66 1.29 0.88 1.07 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 47 S 8.09 4.48 0.00 3.88 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 48 A 8.39 5.40 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 49 E 8.92 4.22 0.00 1.62 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 2.17 2.43 0.00 50 S 5.81 4.55 0.00 4.12 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 51 V 8.27 3.75 2.33 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 1.01 0.00 0.00 1.04 0.00 0.00 52 G 9.28 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 53 E 8.28 5.25 0.00 1.92 1.70 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 2.20 2.28 0.00 54 V 8.97 4.88 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 0.76 0.00 0.00 1.16 0.00 0.00 55 Y 8.79 5.08 0.00 2.92 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 56 I 8.56 4.47 1.71 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.75 0.65 0.00 0.00 57 K 8.61 4.89 0.00 1.38 1.37 0.00 1.23 0.00 0.00 0.61 0.00 0.00 2.30 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.04 1.15 7.81 58 S 8.74 4.63 0.00 3.90 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 59 T 8.53 3.92 4.21 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 1.18 0.00 0.00 60 E 8.39 4.08 0.00 2.01 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 2.28 2.39 0.00 61 T 7.95 4.36 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 62 G 8.19 3.84 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 0.00 0.00 0.00 63 Q 7.52 4.48 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.75 0.00 0.00 0.00 0.00 0.00 2.55 2.35 0.00 64 Y 9.32 4.75 0.00 2.88 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 65 L 8.94 4.52 0.00 1.64 1.48 0.80 0.30 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 66 A 8.70 4.93 0.55 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 67 M 8.55 5.33 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.68 0.00 68 D 9.74 5.26 0.00 2.97 2.95 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 69 T 8.55 4.18 4.37 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 1.32 0.00 0.00 70 D 8.47 4.69 0.00 2.78 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 71 G 8.66 3.33 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 0.00 72 L 8.17 4.68 0.00 2.06 1.63 0.89 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.34 5.16 0.00 1.57 1.61 0.88 0.86 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 74 Y 8.91 4.97 0.00 3.00 2.99 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 75 G 8.94 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 0.00 0.00 0.00 0.00 76 S 9.01 5.09 0.00 3.88 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 77 Q 9.05 4.02 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 78 T 7.55 4.67 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 1.22 0.00 0.00 79 P 0.00 4.04 0.00 1.92 0.97 0.00 3.58 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 80 N 7.95 4.83 0.00 2.89 2.91 0.00 0.00 6.00 7.66 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 81 E 8.78 3.92 0.00 2.02 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 2.26 2.32 0.00 82 E 8.68 4.15 0.00 2.19 2.25 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 2.35 2.43 0.00 83 V 7.32 4.42 2.33 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 0.95 0.00 0.00 1.08 0.00 0.00 84 L 7.24 4.36 0.00 1.34 1.32 0.77 0.14 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 85 F 8.87 5.23 0.00 3.11 3.06 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 0.00 86 L 9.25 4.90 0.00 1.50 1.57 0.86 0.85 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 87 E 8.75 4.51 0.00 2.15 1.91 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 2.20 1.96 0.00 88 R 8.44 4.81 0.00 1.78 1.78 0.00 3.10 0.00 0.00 2.86 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.59 0.00 89 L 8.62 4.70 0.00 1.61 1.60 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.11 4.72 0.00 2.23 1.87 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 2.31 2.45 0.00 91 E 9.77 4.01 0.00 2.36 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 0.00 2.30 2.39 0.00 92 N 8.55 4.33 0.00 2.83 2.88 0.00 0.00 6.85 8.16 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 93 H 8.65 4.78 0.00 2.83 2.97 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.78 4.69 0.00 3.00 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 95 N 9.67 5.50 0.00 3.05 2.68 0.00 0.00 6.94 6.99 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 96 T 8.87 5.25 4.53 0.00 0.00 0.00 0.00 0.00 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 97 Y 8.64 5.03 0.00 2.76 2.77 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 0.00 0.00 0.00 98 I 8.41 4.58 1.65 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.43 0.66 0.00 0.00 99 S 8.82 3.99 0.00 4.08 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 0.00 100 K 8.65 3.96 0.00 1.68 1.65 0.00 1.67 0.00 0.00 1.45 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.29 7.81 101 K 7.91 3.76 0.00 1.75 1.62 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.00 1.30 7.81 102 H 7.97 4.64 0.00 3.17 2.45 0.00 5.69 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 0.00 103 A 7.74 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.03 3.88 0.00 1.87 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 2.09 2.14 0.00 105 K 7.76 4.12 0.00 0.79 1.32 0.00 0.61 0.00 0.00 0.68 0.00 0.00 2.53 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.04 0.90 7.81 106 N 7.75 3.92 0.00 3.00 3.08 0.00 0.00 6.90 7.33 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 0.00 107 W 7.77 5.03 0.00 3.29 3.08 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 0.00 0.00 0.00 108 F 9.25 5.47 0.00 2.82 3.03 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 0.00 109 V 8.95 3.95 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 0.62 0.00 0.00 0.47 0.00 0.00 110 G 8.66 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 0.00 111 L 8.59 5.28 0.00 1.46 1.43 1.02 0.79 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 0.00 112 K 9.21 4.27 0.00 1.94 1.66 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.45 7.81 113 K 8.41 3.87 0.00 1.70 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.24 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.37 7.81 114 N 8.02 4.50 0.00 2.78 2.89 0.00 0.00 6.20 7.00 0.00 0.00 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 8.34 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.35 4.93 0.00 3.83 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 0.00 117 C 8.50 4.74 0.00 2.88 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 0.00 118 K 8.95 4.35 0.00 1.68 1.69 0.00 1.60 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.36 7.81 119 R 8.29 4.45 0.00 1.72 1.59 0.00 3.05 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 120 G 8.61 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.26 0.00 1.90 2.17 0.00 3.05 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.32 0.00 122 R 8.04 4.38 0.00 1.82 1.91 0.00 3.28 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 123 T 7.49 5.26 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 1.36 0.00 0.00 124 H 7.98 4.70 0.00 3.45 3.53 0.00 5.68 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 0.00 125 Y 8.80 3.97 0.00 3.12 2.95 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 0.00 126 G 9.03 4.10 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 0.00 0.00 0.00 127 Q 7.49 4.21 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 128 K 8.30 3.85 0.00 1.63 1.64 0.00 1.50 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.27 7.81 129 A 8.07 3.98 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 0.00 130 I 7.19 4.48 1.68 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.83 0.58 0.00 0.00 131 L 7.26 4.38 0.00 1.11 0.67 0.43 0.84 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 0.00 132 F 9.44 5.39 0.00 3.41 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 0.00 133 L 9.19 5.18 0.00 2.04 1.72 0.82 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.15 0.00 2.22 2.26 0.00 3.91 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 135 L 9.20 4.85 0.00 1.74 1.68 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.68 0.00 2.08 2.07 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 137 V 8.19 3.79 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 0.68 0.00 0.00 0.92 0.00 0.00