NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3720 0.0000 0.0000 62.3970 32.4547 175.5943 6 K 4.3939 8.5242 123.0307 55.1426 33.4096 174.7288 7 I 4.7907 9.3146 126.1190 59.9784 40.4168 174.4143 8 S 5.3473 9.7571 121.6451 56.8498 65.7465 173.2356 9 V 4.8656 9.2902 124.5554 60.8884 34.5083 173.9122 10 A 4.7237 8.3134 128.6716 49.9682 21.8917 174.5465 11 F 4.8465 8.8727 121.8942 55.9404 41.3099 175.2416 12 I 5.6829 9.3003 123.4091 58.2668 41.2073 173.3222 13 A 4.5527 8.4217 129.6701 51.8792 22.3844 176.4601 14 L 4.0436 9.0188 113.8171 57.8446 42.8489 178.8661 15 G 3.8564 8.1602 105.1381 44.6522 0.0000 172.4576 16 N 4.6802 8.1001 116.8362 53.4302 37.5058 173.4632 17 F 4.7979 7.9073 118.3429 59.3131 42.5350 173.9431 18 C 4.9299 7.5303 114.4890 60.7998 30.8125 176.1562 19 R 3.9164 7.8478 117.8136 59.3511 30.1695 179.2852 20 S 4.0782 7.9611 113.6081 61.1270 63.1231 174.6615 21 P 4.1969 0.0000 0.0000 64.5197 30.9989 178.2938 22 M 4.0232 7.6655 116.8331 58.2550 32.0244 178.1924 23 A 3.5886 7.9754 121.3164 54.8721 18.4327 179.1114 24 E 3.7566 7.8377 117.5635 59.2940 29.6773 178.9055 25 A 3.9278 7.7849 120.6156 55.3342 18.4285 179.7307 26 I 3.5587 7.7987 118.5606 64.2675 37.0102 178.5293 27 F 3.9877 8.2385 121.7451 61.1885 39.1943 177.1671 28 K 3.6890 8.1927 118.2627 59.8271 31.8762 178.7038 29 H 4.1918 8.2590 118.2743 59.3845 29.7540 177.1973 30 E 3.8782 8.3176 120.7844 58.8882 29.1807 179.3258 31 V 3.3033 7.5493 118.7518 66.0075 31.5260 177.9527 32 E 4.2650 8.0026 119.5894 58.8759 29.0557 179.5301 33 K 3.8926 7.7357 117.1906 59.1571 32.2270 178.4868 34 A 4.1900 7.8857 117.8953 51.4648 19.1530 176.5637 35 N 4.3288 7.7606 113.0948 54.0228 36.6541 174.7753 36 L 4.7731 8.1010 114.2272 54.6116 42.2178 178.9833 37 E 4.1234 8.3664 122.1462 59.5171 29.4861 179.1385 38 N 4.4571 8.1493 114.8033 55.3558 37.6219 175.9870 39 R 4.0696 8.1708 117.3158 56.8928 30.5995 175.8658 40 F 5.3397 7.8750 116.4570 55.4608 41.8224 172.8943 41 N 4.5907 9.2358 124.3869 53.6542 38.0123 174.8112 42 K 4.8884 7.1228 114.3437 55.2287 36.9045 176.4186 43 I 5.1265 8.3122 121.5053 60.2775 40.6404 173.9347 44 D 5.1646 9.2532 126.6560 52.8619 46.0000 174.3160 45 S 5.1684 7.9070 111.8195 57.4344 66.8233 172.9667 46 F 5.1102 9.2482 119.3582 56.6124 44.1565 173.1464 47 G 4.5405 9.0207 106.2771 44.6789 0.0000 174.1832 48 T 4.1319 8.5715 112.0420 64.1539 69.6341 175.0461 49 S 4.4098 7.4656 116.1817 56.6246 64.8035 174.2059 50 N 4.9642 8.0380 114.2456 52.8415 37.4691 175.6295 51 Y 4.3497 7.4397 118.9391 61.8555 38.1015 177.2874 52 H 5.1693 7.7402 114.9207 53.8073 30.2414 173.2171 53 V 3.8180 7.3581 118.9688 64.5725 31.5909 176.3236 54 G 3.9984 9.3884 116.2409 45.3425 0.0000 173.2086 55 E 4.5911 8.0354 119.4169 55.0364 31.0147 176.1171 56 S 4.8597 8.2801 116.4262 56.9640 63.6914 172.5820 57 P 4.0743 0.0000 0.0000 61.8410 31.9570 175.9102 58 D 3.7623 7.4515 119.6595 54.5049 41.5405 177.1771 59 H 4.0709 8.8947 121.9366 59.0122 28.2409 177.9712 60 R 3.4696 7.8357 121.0195 58.9864 29.4401 179.0531 61 T 4.0341 7.2807 115.2425 66.4217 68.5935 176.8583 62 V 3.5536 7.7474 120.2503 66.0266 31.5006 178.0895 63 S 4.0185 8.2572 113.2072 61.3946 61.9979 176.0812 64 I 3.5619 7.5624 122.3768 64.4588 36.7264 178.2119 65 C 4.1102 8.0464 117.4746 62.7618 28.0095 175.9862 66 K 3.8529 8.0208 121.0924 59.6782 31.5826 178.5064 67 Q 4.0667 8.0688 116.3368 57.7893 28.5988 177.1354 68 H 4.7507 7.1058 115.2758 54.4867 29.5775 174.3775 69 G 3.8027 7.8326 108.5327 46.1049 0.0000 173.6053 70 V 4.0177 7.8271 119.9946 60.7078 32.1280 176.0494 71 K 4.2657 8.4420 127.0621 56.3055 32.7743 176.4020 72 I 4.5130 7.9188 121.3787 59.5770 40.9276 173.9262 73 N 4.8129 8.4870 125.6602 52.8638 41.4497 172.4778 74 H 4.7742 8.3355 123.2408 55.2271 33.5328 172.0840 75 K 4.9416 8.0064 122.4163 54.0231 35.0352 176.3293 76 G 4.0878 9.1309 112.9335 47.1766 0.0000 172.2810 77 K 5.0342 9.3145 121.1373 55.4949 36.5231 174.3021 78 Q 5.0932 8.6167 123.1119 54.7635 30.2211 175.0322 79 I 3.5864 8.5873 127.6327 60.8807 38.7456 175.1760 80 K 4.8166 8.5359 126.7110 53.8763 36.1471 177.2659 81 T 4.1282 8.5992 111.7486 65.0415 68.1925 176.4939 82 K 4.0962 8.0506 120.7097 59.7517 32.5577 178.3078 83 H 4.6861 8.2455 118.8230 57.4456 28.6376 177.2549 84 F 4.1609 8.3998 119.2850 59.3679 38.3347 176.0188 85 D 5.1278 7.4506 117.0515 54.0498 41.6248 176.6600 86 E 4.5040 8.3683 119.8363 55.9196 31.5434 175.4702 87 Y 4.7511 7.5990 115.5855 56.0920 41.4436 175.7841 88 D 4.6012 9.1145 122.3715 56.2401 42.7204 176.2642 89 Y 5.1996 8.1051 115.1273 56.1133 42.3584 174.7914 90 I 4.6005 8.8632 124.1325 59.7087 40.3739 174.4502 91 I 4.9166 8.4681 129.8964 59.6278 38.7570 176.2139 92 G 4.6828 9.0586 115.2579 44.8169 0.0000 174.1118 93 M 4.5648 8.8970 119.5822 56.8917 33.7715 176.0947 94 D 5.4128 8.8894 116.6153 50.4445 42.9791 176.2507 95 E 4.0578 8.7710 118.3334 59.5156 29.3398 179.7435 96 S 4.1457 8.2142 113.9526 61.3698 63.0436 176.2892 97 N 4.3564 8.6541 120.2745 56.1762 38.2409 177.3772 98 I 3.7189 7.6077 120.6962 64.3832 36.9810 177.7534 99 N 4.2498 8.3889 118.0814 57.0897 38.7959 176.5931 100 N 4.3694 8.0661 117.1012 56.1696 38.5055 177.5325 101 L 4.1309 8.0435 120.4252 57.9312 41.5961 179.7982 102 K 3.9448 8.1393 117.1863 59.1410 31.9619 179.2660 103 K 4.0995 7.5353 118.1638 59.1446 32.0739 179.0851 104 I 3.8813 7.2932 119.3800 62.6303 37.1397 176.3042 105 Q 2.8347 7.1466 121.0043 55.2881 29.2084 174.6713 106 P 4.1719 0.0000 0.0000 61.9116 32.0251 175.3356 107 E 3.9859 8.5844 123.1355 58.4026 29.5023 176.9840 108 G 3.9397 8.9403 114.5527 45.2356 0.0000 173.1510 109 S 4.2952 7.6906 113.8621 57.4092 63.2680 173.6849 110 K 3.6807 8.6297 122.0967 59.6599 32.2527 176.1877 111 A 4.1846 7.8329 120.5933 50.9916 19.6547 176.1120 112 K 4.3342 8.7017 123.1134 54.7225 33.9236 175.3261 113 V 4.7665 8.4205 128.8976 62.4019 32.1948 174.7054 114 C 4.8572 8.9819 121.7436 56.7570 33.6807 173.0688 115 L 4.6335 8.6208 121.7620 54.5189 42.7501 177.5040 116 F 5.0679 9.4592 128.0345 61.6901 39.3055 177.4021 117 G 2.9160 7.9728 104.9717 45.6249 0.0000 174.6638 118 D 4.2856 7.9864 120.7292 55.9705 40.7385 176.8258 119 W 4.5233 7.4528 117.9913 56.1528 29.4144 176.0160 120 N 4.9292 7.8785 118.3092 53.9506 38.6704 174.8561 121 T 4.3502 8.9067 111.2366 61.2545 69.8566 175.2430 122 N 4.7734 8.2244 118.1009 54.4984 36.5867 174.0973 123 D 4.6428 7.8593 115.1820 53.2752 39.6002 177.2105 124 G 3.9648 8.2394 107.1063 46.2138 0.0000 175.0484 125 T 3.9382 7.6405 116.2087 65.9041 68.5154 175.2547 126 V 4.6100 6.9324 111.0447 59.2510 35.6212 175.3336 127 Q 4.3996 8.8712 121.3885 56.0875 29.0127 177.1429 128 T 4.2180 8.6680 117.8415 66.5761 68.8980 174.7717 129 I 4.3347 7.7147 121.1531 60.8540 38.3158 176.5497 130 I 4.6423 8.1542 127.8379 59.0100 36.8241 174.9513 131 E 4.2115 8.6266 126.3690 55.6375 30.3658 176.4463 132 D 4.3376 8.8396 123.9135 54.1931 41.6649 174.2632 133 P 4.4404 0.0000 0.0000 62.9494 32.1965 177.5579 134 W 4.6044 8.1332 129.5526 61.1905 30.3622 176.2270 135 Y 4.4410 8.0541 111.6125 58.0747 38.3612 176.5166 136 G 4.2566 8.2767 112.0826 45.0665 0.0000 171.3068 137 D 4.9833 9.1384 121.5861 50.6793 43.0112 175.8620 138 I 3.6913 8.5833 117.1933 65.0460 37.4917 177.6613 139 Q 4.1455 8.2615 118.0989 58.9270 28.4465 178.4847 140 D 4.5407 8.4766 120.1970 57.1232 40.8420 178.7546 141 F 4.0643 8.3424 118.1423 60.2947 39.0069 177.1086 142 E 4.0269 8.5446 119.0790 59.6397 29.5191 178.3611 143 Y 4.1663 8.2376 119.5363 60.6127 38.7141 177.5349 144 N 4.4054 8.2481 117.7237 56.1219 38.6267 177.0050 145 F 3.8096 8.3094 122.0978 61.0507 39.5354 177.0046 146 K 3.8420 8.0157 119.1571 59.5408 31.4306 178.6872 147 Q 3.1911 7.4395 117.9899 58.8917 28.6324 178.9056 148 I 3.4846 7.5105 120.8681 64.5269 37.0632 178.7743 149 T 3.6207 7.3835 116.5431 66.4872 68.3736 176.1798 150 Y 3.8720 7.4594 121.2030 60.8588 38.8641 178.2849 151 F 4.4278 7.6027 118.6039 60.2606 38.7376 178.0214 152 S 4.5163 7.8713 115.1612 61.7353 62.8208 176.8166 153 K 3.9920 7.9099 121.0899 59.4584 31.7179 179.5393 154 Q 3.9820 7.8012 118.0482 58.7899 28.5822 178.4597 155 F 3.3648 8.2806 121.6783 61.1714 39.1699 177.2623 156 L 4.2882 8.0079 117.4191 57.5304 41.4660 178.9380 157 K 4.1542 7.8321 118.0894 58.0822 32.2405 177.9699 158 K 4.4219 7.8079 117.2930 57.3844 33.5083 177.4755 159 E 4.2845 8.1341 116.7239 56.6244 29.8126 176.3028 160 L 4.2365 7.7070 123.5328 54.7303 42.0100 176.1828 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 5 P 0.00 4.37 0.00 2.16 2.13 0.00 3.43 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 1.87 2.10 0.00 6 K 8.52 4.39 0.00 1.74 1.85 0.00 1.74 0.00 0.00 1.90 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.52 7.81 7 I 9.31 4.79 1.72 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 1.40 0.90 1.35 0.00 0.00 8 S 9.76 5.35 0.00 3.82 3.73 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 9 V 9.29 4.87 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.35 0.00 0.00 0.88 0.00 0.00 10 A 8.31 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.87 4.85 0.00 2.86 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 12 I 9.30 5.68 1.82 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.57 0.91 0.00 0.00 13 A 8.42 4.55 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.02 4.04 0.00 1.78 1.63 0.77 1.08 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 15 G 8.16 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 16 N 8.10 4.68 0.00 2.92 2.89 0.00 0.00 7.02 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 17 F 7.91 4.80 0.00 3.02 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 C 7.53 4.93 0.00 3.06 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.85 3.92 0.00 1.87 1.98 0.00 3.28 0.00 0.00 3.56 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 20 S 7.96 4.08 0.00 4.17 4.20 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 21 P 0.00 4.20 0.00 2.13 2.04 0.00 3.96 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 2.21 1.98 0.00 22 M 7.67 4.02 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.52 0.00 23 A 7.98 3.59 0.72 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 24 E 7.84 3.76 0.00 2.06 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 2.36 0.00 25 A 7.78 3.93 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.80 3.56 1.61 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.62 0.56 0.00 0.00 27 F 8.24 3.99 0.00 2.82 2.93 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 0.00 0.00 0.00 0.00 28 K 8.19 3.69 0.00 2.02 1.98 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.60 7.81 29 H 8.26 4.19 0.00 3.30 3.39 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.32 3.88 0.00 1.72 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 31 V 7.55 3.30 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 0.96 0.00 0.00 -0.25 0.00 0.00 32 E 8.00 4.27 0.00 2.08 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 2.38 2.14 0.00 33 K 7.74 3.89 0.00 1.83 1.79 0.00 1.64 0.00 0.00 1.44 0.00 0.00 3.24 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.31 7.81 34 A 7.89 4.19 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 35 N 7.76 4.33 0.00 2.90 2.91 0.00 0.00 6.82 8.02 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 36 L 8.10 4.77 0.00 1.76 1.79 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.37 4.12 0.00 2.10 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 2.41 2.37 0.00 38 N 8.15 4.46 0.00 2.83 2.97 0.00 0.00 6.05 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 39 R 8.17 4.07 0.00 1.56 1.56 0.00 3.18 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 40 F 7.88 5.34 0.00 3.05 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 41 N 9.24 4.59 0.00 2.81 2.69 0.00 0.00 6.99 7.22 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 42 K 7.12 4.89 0.00 2.17 1.96 0.00 1.28 0.00 0.00 1.59 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.30 1.30 7.81 43 I 8.31 5.13 1.93 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.76 1.11 0.00 0.00 44 D 9.25 5.16 0.00 2.58 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 0.00 0.00 0.00 0.00 45 S 7.91 5.17 0.00 3.88 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 9.25 5.11 0.00 2.79 2.93 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 0.00 0.00 0.00 0.00 47 G 9.02 4.54 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 48 T 8.57 4.13 4.20 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 1.22 0.00 0.00 49 S 7.47 4.41 0.00 2.89 3.20 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 50 N 8.04 4.96 0.00 2.92 3.18 0.00 0.00 5.94 7.57 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 51 Y 7.44 4.35 0.00 2.73 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 52 H 7.74 5.17 0.00 3.22 3.19 0.00 5.91 0.00 0.00 0.00 0.00 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.36 3.82 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 0.81 0.00 0.00 0.95 0.00 0.00 54 G 9.39 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 0.00 0.00 0.00 55 E 8.04 4.59 0.00 2.36 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 0.00 2.36 2.57 0.00 56 S 8.28 4.86 0.00 3.90 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.07 0.00 1.89 1.97 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 58 D 7.45 3.76 0.00 2.45 2.46 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 59 H 8.89 4.07 0.00 3.31 3.48 0.00 5.51 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 7.84 3.47 0.00 0.67 0.66 0.00 2.68 0.00 0.00 2.92 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.83 0.00 61 T 7.28 4.03 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 1.28 0.00 0.00 62 V 7.75 3.55 2.15 0.00 0.00 0.00 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 0.89 0.00 0.00 63 S 8.26 4.02 0.00 3.82 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 64 I 7.56 3.56 1.91 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 1.71 1.05 0.74 0.00 0.00 65 C 8.05 4.11 0.00 3.15 3.25 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 66 K 8.02 3.85 0.00 1.83 1.87 0.00 1.50 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.48 7.81 67 Q 8.07 4.07 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 68 H 7.11 4.75 0.00 2.94 3.23 0.00 5.94 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.83 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.83 4.02 2.29 0.00 0.00 0.00 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 71 K 8.44 4.27 0.00 1.79 1.72 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.43 7.81 72 I 7.92 4.51 1.87 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 1.29 0.71 0.90 0.00 0.00 73 N 8.49 4.81 0.00 2.66 2.64 0.00 0.00 6.88 7.89 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 74 H 8.34 4.77 0.00 3.22 3.05 0.00 5.86 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 75 K 8.01 4.94 0.00 1.51 1.58 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.57 7.81 76 G 9.13 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 77 K 9.31 5.03 0.00 1.88 1.84 0.00 1.36 0.00 0.00 1.51 0.00 0.00 2.22 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.01 1.15 7.81 78 Q 8.62 5.09 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.98 0.00 0.00 0.00 0.00 0.00 2.30 2.69 0.00 79 I 8.59 3.59 1.64 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.44 0.90 0.00 0.00 80 K 8.54 4.82 0.00 1.59 1.60 0.00 1.77 0.00 0.00 1.90 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.67 1.35 7.81 81 T 8.60 4.13 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 82 K 8.05 4.10 0.00 1.97 2.09 0.00 1.45 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.24 7.81 83 H 8.25 4.69 0.00 2.93 3.19 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 84 F 8.40 4.16 0.00 3.28 3.14 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 85 D 7.45 5.13 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.37 4.50 0.00 1.92 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 2.15 2.38 0.00 87 Y 7.60 4.75 0.00 2.96 2.93 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 0.00 0.00 0.00 0.00 88 D 9.11 4.60 0.00 2.91 2.63 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 89 Y 8.11 5.20 0.00 2.82 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 90 I 8.86 4.60 1.83 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.93 0.72 0.00 0.00 91 I 8.47 4.92 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 1.27 0.30 0.96 0.00 0.00 92 G 9.06 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 M 8.90 4.56 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.69 0.00 94 D 8.89 5.41 0.00 2.88 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 95 E 8.77 4.06 0.00 2.03 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 0.00 2.44 2.35 0.00 96 S 8.21 4.15 0.00 4.08 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.65 4.36 0.00 3.01 2.94 0.00 0.00 6.95 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 98 I 7.61 3.72 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.99 0.94 0.00 0.00 99 N 8.39 4.25 0.00 2.75 3.00 0.00 0.00 7.29 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 0.00 100 N 8.07 4.37 0.00 2.97 2.86 0.00 0.00 7.09 6.37 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 0.00 101 L 8.04 4.13 0.00 1.95 1.90 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.14 3.94 0.00 1.70 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.69 7.81 103 K 7.54 4.10 0.00 1.92 1.82 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.44 7.81 104 I 7.29 3.88 1.62 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.70 0.86 0.00 0.00 105 Q 7.15 2.83 0.00 1.59 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.17 0.00 106 P 0.00 4.17 0.00 2.16 1.88 0.00 3.46 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 2.07 1.95 0.00 107 E 8.58 3.99 0.00 1.86 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 2.27 2.35 0.00 108 G 8.94 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 0.00 109 S 7.69 4.30 0.00 4.08 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 0.00 110 K 8.63 3.68 0.00 1.82 2.06 0.00 1.96 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.69 1.40 7.81 111 A 7.83 4.18 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 0.00 112 K 8.70 4.33 0.00 1.70 1.60 0.00 1.65 0.00 0.00 1.53 0.00 0.00 2.55 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.36 7.81 113 V 8.42 4.77 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 0.93 0.00 0.00 1.19 0.00 0.00 114 C 8.98 4.86 0.00 3.15 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 0.00 115 L 8.62 4.63 0.00 1.78 1.74 1.03 0.80 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 0.00 116 F 9.46 5.07 0.00 3.39 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 0.00 117 G 7.97 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 0.00 0.00 0.00 118 D 7.99 4.29 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.45 4.52 0.00 3.63 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 N 7.88 4.93 0.00 2.59 2.75 0.00 0.00 7.04 7.45 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 0.00 121 T 8.91 4.35 4.38 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 0.00 0.00 0.00 1.36 0.00 0.00 122 N 8.22 4.77 0.00 2.93 2.97 0.00 0.00 6.92 8.99 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 0.00 123 D 7.86 4.64 0.00 2.82 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 0.00 124 G 8.24 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 0.00 125 T 7.64 3.94 3.61 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 0.75 0.00 0.00 126 V 6.93 4.61 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.56 0.00 0.00 127 Q 8.87 4.40 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.98 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 128 T 8.67 4.22 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 1.22 0.00 0.00 129 I 7.71 4.33 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.82 1.00 0.00 0.00 130 I 8.15 4.64 2.14 0.00 0.00 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 1.51 1.40 1.00 0.00 0.00 131 E 8.63 4.21 0.00 1.94 1.96 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 2.40 2.41 0.00 132 D 8.84 4.34 0.00 2.71 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 0.00 133 P 0.00 4.44 0.00 0.99 1.75 0.00 3.69 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 1.20 0.99 0.00 134 W 8.13 4.60 0.00 3.35 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 0.00 135 Y 8.05 4.44 0.00 3.12 2.97 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 0.00 136 G 8.28 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 0.00 137 D 9.14 4.98 0.00 2.87 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 0.00 138 I 8.58 3.69 1.81 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.18 0.92 0.00 0.00 139 Q 8.26 4.15 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 140 D 8.48 4.54 0.00 2.89 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 0.00 141 F 8.34 4.06 0.00 3.33 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 4.03 0.00 2.17 2.27 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 2.36 2.46 0.00 143 Y 8.24 4.17 0.00 3.24 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 N 8.25 4.41 0.00 3.04 2.83 0.00 0.00 6.58 8.23 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 0.00 145 F 8.31 3.81 0.00 3.26 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 0.00 146 K 8.02 3.84 0.00 1.87 1.68 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.18 1.41 7.81 147 Q 7.44 3.19 0.00 1.92 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 148 I 7.51 3.48 1.62 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 1.63 0.92 0.80 0.00 0.00 149 T 7.38 3.62 4.18 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 1.18 0.00 0.00 150 Y 7.46 3.87 0.00 2.94 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 0.00 151 F 7.60 4.43 0.00 1.55 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 0.00 0.00 0.00 0.00 152 S 7.87 4.52 0.00 4.07 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 0.00 153 K 7.91 3.99 0.00 1.83 1.76 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.55 7.81 154 Q 7.80 3.98 0.00 2.36 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.18 2.52 0.00 155 F 8.28 3.36 0.00 2.66 3.16 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 0.00 156 L 8.01 4.29 0.00 1.87 1.79 0.75 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 157 K 7.83 4.15 0.00 1.87 2.07 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.48 7.81 158 K 7.81 4.42 0.00 1.95 1.95 0.00 1.94 0.00 0.00 1.81 0.00 0.00 3.45 0.00 0.00 3.54 0.00 0.00 0.00 0.00 1.46 1.83 7.81 159 E 8.13 4.28 0.00 1.17 1.69 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 1.47 1.47 0.00 160 L 7.71 4.24 0.00 1.62 1.54 1.08 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00