NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0945 8.0549 114.0579 60.6396 33.0021 175.0262 2 L 4.0769 8.3455 123.2968 53.0764 42.0572 176.6822 3 S 4.6159 8.9867 119.7240 57.4884 66.5753 175.1921 4 G 3.6574 8.5070 107.5695 48.0919 0.0000 176.0258 5 T 3.9403 7.8220 117.5559 66.4465 68.5275 176.1645 6 D 4.6845 8.0396 122.2039 56.8548 40.8805 179.2775 7 K 3.9150 8.0434 118.5449 59.8191 31.9896 179.6087 8 T 3.8805 7.8664 115.7109 66.5460 68.3357 176.3688 9 N 4.2839 8.3630 118.5621 56.3550 38.5740 177.3409 10 V 3.5826 7.9608 119.4477 66.1826 31.6663 178.0375 11 K 3.9317 8.3767 118.5208 59.4483 31.6704 179.5030 12 G 3.5569 8.2300 104.9620 47.9977 0.0000 175.3283 13 I 3.7928 8.2558 122.4100 63.5398 37.9591 177.9620 14 F 3.9218 8.6976 118.8255 60.4175 38.4206 177.7341 15 S 4.2869 7.6705 115.1981 60.7011 62.6863 176.1198 16 K 4.1747 7.6716 119.2578 57.6432 32.4644 178.0890 17 I 4.2150 7.4128 119.3958 61.7686 37.6990 177.6851 18 S 4.1604 8.0585 116.3559 61.9688 62.4822 176.5665 19 S 4.2120 8.0462 113.3726 60.5898 62.3028 174.6342 20 H 4.5262 7.5974 117.0920 55.1529 29.1057 176.1156 21 A 3.9738 7.4519 124.7786 55.5310 18.2088 180.1958 22 E 3.9033 8.0655 114.6411 59.6500 29.6133 178.4096 23 E 3.9750 8.2410 120.5172 59.1964 29.4756 178.3670 24 Y 4.4049 8.3610 116.6577 61.0341 37.8719 178.6872 25 G 3.8128 8.5261 106.5222 47.9862 0.0000 175.5438 26 A 4.0476 7.9719 123.0031 54.7838 18.3417 179.3403 27 E 3.9121 8.4938 117.9372 59.5782 29.7581 179.1072 28 T 3.8646 8.2899 116.0604 66.6667 68.6880 176.2991 29 L 3.6040 7.9682 120.7513 57.9672 41.6283 179.5974 30 E 4.1233 8.4240 118.4772 59.5569 29.4169 179.6707 31 R 3.9293 8.2539 118.3298 59.4194 30.0156 178.7313 32 M 4.2479 8.1563 118.1332 58.7248 32.1573 178.3874 33 F 4.6286 7.8720 117.7921 60.6719 38.9078 177.4353 34 I 3.9245 7.5673 116.6724 63.8260 37.9120 177.5735 35 T 3.9679 7.7752 115.9828 65.0323 69.8906 174.7778 36 Y 4.9537 8.0562 116.8912 55.1940 38.4889 174.5156 37 P 5.0963 0.0000 0.0000 64.9184 31.8155 178.3022 38 Q 4.1085 8.3604 116.2932 59.2244 28.1959 178.4185 39 T 4.3377 8.5273 111.6330 64.0622 68.7420 176.4231 40 K 4.1508 8.4724 122.1496 59.2206 31.7798 179.0151 41 T 3.7916 7.4819 109.7702 64.6392 68.5697 175.3909 42 Y 4.1682 7.4951 117.7685 58.7842 38.6230 175.3759 43 F 4.6717 8.3127 120.2708 56.0609 39.9603 175.4547 44 P 4.3031 0.0000 0.0000 65.8983 31.5555 177.3963 45 H 4.4807 8.5019 113.1959 57.4653 28.9214 175.5098 46 F 4.6879 8.0247 119.1854 56.5512 39.6550 174.8458 47 D 4.5006 8.8105 124.0011 54.2836 40.8053 175.9843 48 L 4.4231 8.3417 125.8292 54.7301 42.2231 176.6592 49 H 4.2166 8.6323 118.4074 55.5441 29.1273 174.4241 50 H 4.3360 8.9082 122.9384 58.3679 29.7827 175.1555 51 G 3.8210 9.8944 115.1272 45.7624 0.0000 174.3053 52 S 4.2668 7.8467 115.1521 57.9647 64.8446 175.1004 53 A 3.9607 8.4099 124.9440 55.5080 18.1202 180.2581 54 Q 3.6108 7.7804 116.0402 58.9861 28.7238 178.8289 55 I 3.9308 7.3666 120.2567 64.2166 37.1719 178.4313 56 K 3.9707 8.1271 120.3395 59.5158 31.9288 178.8299 57 A 4.0436 8.2614 121.3096 55.2692 18.2108 179.1794 58 H 4.4485 8.7421 117.2602 59.3574 30.0572 177.5430 59 G 3.7217 8.6470 108.0781 47.7655 0.0000 175.3172 60 K 3.9485 8.0496 121.8457 59.2076 32.1920 178.8196 61 K 3.9459 7.8335 118.5054 59.6181 32.0773 179.1888 62 V 3.5801 8.0160 118.3157 66.2368 31.2937 177.9575 63 A 4.1235 8.1423 120.2100 55.1903 18.1618 179.2389 64 N 4.2938 8.6543 115.2409 56.5255 38.6741 177.3837 65 A 4.0192 8.4742 122.4344 55.2418 18.4190 179.7056 66 L 4.0102 8.0636 117.4334 57.9396 41.6785 179.7794 67 I 3.5449 8.1263 119.9419 64.3034 36.8442 177.9656 68 E 3.8836 8.3335 119.1038 59.3364 29.6673 178.4343 69 A 4.1622 8.1205 120.7254 55.2153 18.2128 179.8240 70 V 3.2942 7.5402 115.9910 65.9446 31.5594 177.7693 71 N 4.4555 7.9856 115.1492 55.0101 39.1145 174.7461 72 H 5.0438 7.7942 117.8184 54.9334 29.7794 175.3642 73 I 3.8408 7.8737 120.5896 64.1263 38.2446 176.4239 74 D 4.5108 8.0087 118.7785 56.8163 41.2604 176.4094 75 D 4.7866 7.9774 118.2165 52.1134 42.6059 175.3800 76 I 3.8001 7.7918 124.7461 64.3323 37.7562 177.8368 77 S 4.1397 8.1098 113.6261 61.4507 61.9951 176.3496 78 G 3.6720 8.1099 106.9672 47.4590 0.0000 174.8548 79 A 4.3886 7.4062 119.6638 52.7336 19.0968 177.8533 80 L 4.7165 7.4909 115.9462 53.9953 43.2086 178.3704 81 S 4.0959 7.8430 116.7214 61.5706 62.0925 176.5993 82 K 4.0230 7.9740 121.7013 59.9541 32.2459 178.9958 83 L 4.0945 7.7707 120.0411 57.0117 41.4230 179.3158 84 S 4.3352 7.5213 113.4424 60.8433 62.3108 175.9108 85 D 4.2630 7.9567 121.0133 57.1843 40.5633 178.2903 86 L 3.8934 7.5168 120.1437 58.5792 42.1510 178.8531 87 H 4.1150 8.6274 116.1597 58.6842 28.6729 177.7144 88 A 3.9575 8.0515 124.0481 54.0802 18.2390 179.3801 89 Q 3.9116 7.6794 115.9255 59.0813 29.5318 177.7739 90 K 4.1253 7.7612 117.8048 59.5425 32.4108 179.1838 91 L 4.1679 8.1436 117.5822 54.9375 41.8892 177.1796 92 R 4.1397 7.6971 115.8533 56.8050 28.1476 176.7419 93 V 3.3723 7.8531 117.6254 62.5882 32.0557 175.0466 94 D 4.4719 9.1587 127.8546 53.8418 41.8547 175.2581 95 P 4.6851 0.0000 0.0000 65.9181 30.7434 179.0156 96 V 3.8245 8.1634 111.1316 64.1805 31.3239 178.2134 97 N 4.2845 8.3268 116.6576 56.1049 38.2916 177.2681 98 F 3.9630 7.7101 118.0382 60.3450 38.8655 177.7424 99 K 4.1235 7.8496 117.1980 58.9390 31.9332 179.4619 100 L 3.5227 7.4420 119.1223 57.3083 41.5868 179.0009 101 L 3.9737 7.7929 120.3912 58.0956 42.0915 178.9142 102 G 3.8686 8.0170 105.7518 48.0524 0.0000 175.0128 103 Q 4.0283 8.2539 122.0580 59.3597 29.0011 178.4917 104 C 4.2513 8.0570 117.0542 62.7753 28.1011 175.8759 105 F 4.5099 8.3498 123.6362 60.7566 38.9404 177.2719 106 L 3.8715 8.0176 118.7477 57.5667 41.3995 179.3293 107 V 3.5076 8.1436 118.7104 66.0880 31.2465 178.2600 108 V 3.3321 7.7928 117.8146 65.9230 31.3447 178.0880 109 V 3.2425 7.3860 117.7397 65.8742 31.0524 177.8500 110 A 3.9750 7.6838 119.4027 55.1569 18.2467 179.3868 111 I 3.6514 7.6132 117.6305 64.1697 37.1947 177.4964 112 H 4.5592 7.5502 114.9269 56.0199 31.1194 175.0794 113 H 4.9597 8.3198 117.3838 53.0951 28.5902 172.2371 114 P 4.2234 0.0000 0.0000 65.6523 31.6160 178.7826 115 S 4.2642 8.0258 111.0688 61.4288 62.9252 175.9196 116 A 4.1234 7.3506 120.3872 53.7149 19.4663 178.4712 117 L 4.3543 7.4000 120.7190 53.4517 39.1347 176.3128 118 T 4.1459 6.9358 113.0832 60.9209 71.4622 173.1555 119 P 4.2418 0.0000 0.0000 66.0275 31.2274 178.8171 120 E 4.0017 8.0938 116.7899 59.1673 29.5021 179.1987 121 V 3.6148 7.6545 118.0798 66.0970 31.5150 177.3271 122 H 4.1457 8.5571 118.0860 59.3902 29.6885 176.6480 123 A 3.9967 8.1544 122.4419 55.7052 18.1339 179.9150 124 S 4.1803 8.2674 113.3649 61.4017 62.8944 176.7255 125 L 4.1499 8.4470 123.5448 58.2311 41.9146 178.1684 126 D 4.4617 8.4542 118.2737 57.6540 41.0806 178.5075 127 K 3.9536 8.1714 118.5824 59.4712 31.9933 179.0355 128 F 4.2220 8.4642 120.7314 61.4963 39.4207 177.0693 129 L 3.6503 8.6177 118.8824 57.9058 41.3974 179.4600 130 C 4.0643 8.2835 116.3820 62.6601 28.0158 175.9399 131 A 3.8588 7.9615 122.3005 55.1564 17.9760 179.7113 132 V 3.3604 7.6077 117.0481 66.0281 31.3806 178.3571 133 G 3.3644 8.3287 105.5004 47.7277 0.0000 175.4451 134 A 3.8691 8.0206 122.4798 54.6256 18.5970 179.6618 135 V 3.5451 7.8019 116.8784 66.2197 31.5917 178.3972 136 L 3.9130 7.6864 118.3928 56.6262 41.2844 178.4720 137 T 4.1051 6.9224 108.0994 61.3226 68.9527 176.0269 138 A 3.9448 7.7601 126.2443 55.3930 18.1210 180.2098 139 K 3.9192 7.1792 114.4321 58.8897 32.4428 177.7567 140 Y 4.5950 7.6435 116.9840 60.2119 38.3612 175.9221 141 R 4.1545 7.9840 122.9349 56.4110 30.1301 176.1566 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 V 8.05 4.09 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 0.90 0.00 0.00 0.94 0.00 0.00 2 L 8.35 4.08 0.00 1.75 1.66 1.06 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.99 4.62 0.00 4.09 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 4 G 8.51 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 0.00 0.00 0.00 5 T 7.82 3.94 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 6 D 8.04 4.68 0.00 3.02 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.04 3.91 0.00 1.95 1.84 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.81 7.81 8 T 7.87 3.88 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 1.21 0.00 0.00 9 N 8.36 4.28 0.00 2.95 2.89 0.00 0.00 6.66 8.13 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 10 V 7.96 3.58 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 0.40 0.00 0.00 0.98 0.00 0.00 11 K 8.38 3.93 0.00 1.97 1.83 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.55 7.81 12 G 8.23 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.26 3.79 1.99 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 1.43 1.28 0.94 0.00 0.00 14 F 8.70 3.92 0.00 3.17 3.12 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 0.00 0.00 0.00 15 S 7.67 4.29 0.00 4.13 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 16 K 7.67 4.17 0.00 1.62 1.60 0.00 1.59 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.42 7.81 17 I 7.41 4.21 1.74 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 1.41 1.34 0.72 0.00 0.00 18 S 8.06 4.16 0.00 3.86 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 19 S 8.05 4.21 0.00 3.84 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 7.60 4.53 0.00 2.21 2.18 0.00 5.70 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.45 3.97 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 22 E 8.07 3.90 0.00 2.19 2.24 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 2.33 2.30 0.00 23 E 8.24 3.98 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.57 0.00 24 Y 8.36 4.40 0.00 3.26 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 25 G 8.53 3.81 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 0.00 0.00 0.00 26 A 7.97 4.05 1.45 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 27 E 8.49 3.91 0.00 2.22 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 2.31 2.38 0.00 28 T 8.29 3.86 4.52 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 1.36 0.00 0.00 29 L 7.97 3.60 0.00 1.96 1.59 0.74 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.42 4.12 0.00 2.20 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 2.48 2.51 0.00 31 R 8.25 3.93 0.00 2.03 1.97 0.00 3.10 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 32 M 8.16 4.25 0.00 1.76 1.95 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 33 F 7.87 4.63 0.00 3.32 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 34 I 7.57 3.92 1.92 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 1.51 0.77 0.96 0.00 0.00 35 T 7.78 3.97 3.87 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 0.00 0.00 0.33 0.00 0.00 36 Y 8.06 4.95 0.00 3.19 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 5.10 0.00 2.20 2.16 0.00 3.95 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 2.14 2.17 0.00 38 Q 8.36 4.11 0.00 2.28 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.92 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 39 T 8.53 4.34 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 40 K 8.47 4.15 0.00 1.92 1.79 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.98 1.65 7.81 41 T 7.48 3.79 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 1.16 0.00 0.00 42 Y 7.50 4.17 0.00 2.86 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 43 F 8.31 4.67 0.00 2.90 2.54 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 44 P 0.00 4.30 0.00 2.20 2.18 0.00 3.86 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 2.01 1.92 0.00 45 H 8.50 4.48 0.00 3.43 3.53 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.02 4.69 0.00 3.11 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 47 D 8.81 4.50 0.00 2.65 2.56 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 0.00 0.00 0.00 0.00 48 L 8.34 4.42 0.00 1.50 1.32 0.60 0.54 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 49 H 8.63 4.22 0.00 3.49 3.24 0.00 5.84 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.91 4.34 0.00 3.13 3.32 0.00 5.97 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 9.89 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 0.00 0.00 0.00 52 S 7.85 4.27 0.00 4.04 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 53 A 8.41 3.96 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.78 3.61 0.00 1.53 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.00 2.18 0.00 55 I 7.37 3.93 1.95 0.00 0.00 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 1.77 0.80 1.07 0.00 0.00 56 K 8.13 3.97 0.00 2.13 1.81 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 57 A 8.26 4.04 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 58 H 8.74 4.45 0.00 3.74 3.70 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.65 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 60 K 8.05 3.95 0.00 1.90 2.01 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.52 7.81 61 K 7.83 3.95 0.00 2.05 1.93 0.00 1.90 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.70 7.81 62 V 8.02 3.58 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 0.97 0.00 0.00 0.86 0.00 0.00 63 A 8.14 4.12 1.47 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 0.00 0.00 64 N 8.65 4.29 0.00 3.00 2.93 0.00 0.00 6.91 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 65 A 8.47 4.02 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 66 L 8.06 4.01 0.00 2.07 1.93 0.26 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.13 3.54 2.10 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.13 0.95 0.00 0.00 68 E 8.33 3.88 0.00 2.06 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 2.36 2.45 0.00 69 A 8.12 4.16 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 70 V 7.54 3.29 1.71 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 0.57 0.00 0.00 -0.65 0.00 0.00 71 N 7.99 4.46 0.00 2.74 2.61 0.00 0.00 6.81 7.75 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 72 H 7.79 5.04 0.00 3.11 3.19 0.00 5.62 0.00 0.00 0.00 0.00 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.87 3.84 2.03 0.00 0.00 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 1.44 0.82 0.88 0.00 0.00 74 D 8.01 4.51 0.00 2.72 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 75 D 7.98 4.79 0.00 2.64 2.48 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 76 I 7.79 3.80 1.84 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.81 0.81 0.00 0.00 77 S 8.11 4.14 0.00 3.84 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 78 G 8.11 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 0.00 0.00 0.00 79 A 7.41 4.39 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 80 L 7.49 4.72 0.00 1.62 1.55 0.81 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.84 4.10 0.00 4.06 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 82 K 7.97 4.02 0.00 2.00 2.11 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.53 7.81 83 L 7.77 4.09 0.00 1.90 1.76 0.98 1.04 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 84 S 7.52 4.34 0.00 3.89 3.87 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 0.00 0.00 0.00 85 D 7.96 4.26 0.00 2.90 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 L 7.52 3.89 0.00 1.75 1.83 0.89 0.97 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 87 H 8.63 4.11 0.00 3.45 3.53 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.05 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 7.68 3.91 0.00 1.99 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 90 K 7.76 4.13 0.00 1.92 1.83 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.46 7.81 91 L 8.14 4.17 0.00 1.80 1.68 0.68 0.86 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 92 R 7.70 4.14 0.00 2.17 2.14 0.00 3.48 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 93 V 7.85 3.37 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 0.10 0.00 0.00 0.47 0.00 0.00 94 D 9.16 4.47 0.00 2.85 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 95 P 0.00 4.69 0.00 2.24 2.20 0.00 3.63 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 2.03 2.27 0.00 96 V 8.16 3.82 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 1.01 0.00 0.00 1.00 0.00 0.00 97 N 8.33 4.28 0.00 2.56 2.59 0.00 0.00 6.86 7.62 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 98 F 7.71 3.96 0.00 3.16 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 99 K 7.85 4.12 0.00 1.97 1.82 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.51 7.81 100 L 7.44 3.52 0.00 1.52 0.86 0.62 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.79 3.97 0.00 1.56 1.73 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 102 G 8.02 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.25 4.03 0.00 2.29 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 104 C 8.06 4.25 0.00 3.23 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 0.00 105 F 8.35 4.51 0.00 3.22 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 0.00 106 L 8.02 3.87 0.00 1.98 1.65 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.14 3.51 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 0.94 0.00 0.00 0.98 0.00 0.00 108 V 7.79 3.33 1.88 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 0.47 0.00 0.00 0.93 0.00 0.00 109 V 7.39 3.24 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.22 0.00 0.00 110 A 7.68 3.98 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.61 3.65 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.53 0.55 0.00 0.00 112 H 7.55 4.56 0.00 2.66 3.11 0.00 5.79 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 0.00 113 H 8.32 4.96 0.00 3.12 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.22 0.00 2.12 2.05 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.24 0.00 115 S 8.03 4.26 0.00 4.02 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 0.00 116 A 7.35 4.12 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 0.00 117 L 7.40 4.35 0.00 1.61 1.58 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 118 T 6.94 4.15 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 1.25 0.00 0.00 119 P 0.00 4.24 0.00 2.18 2.17 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 120 E 8.09 4.00 0.00 2.07 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 2.43 0.00 121 V 7.65 3.61 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 1.12 0.00 0.00 0.95 0.00 0.00 122 H 8.56 4.15 0.00 3.30 3.46 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.15 4.00 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 0.00 124 S 8.27 4.18 0.00 4.07 4.12 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 0.00 0.00 0.00 125 L 8.45 4.15 0.00 2.04 1.94 1.41 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.45 4.46 0.00 2.99 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.17 3.95 0.00 2.16 1.92 0.00 1.94 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.74 7.81 128 F 8.46 4.22 0.00 3.19 3.42 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 0.00 129 L 8.62 3.65 0.00 1.76 1.73 1.30 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 130 C 8.28 4.06 0.00 3.22 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 0.00 131 A 7.96 3.86 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 132 V 7.61 3.36 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 0.78 0.00 0.00 0.23 0.00 0.00 133 G 8.33 3.36 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 0.00 134 A 8.02 3.87 1.25 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 0.00 135 V 7.80 3.55 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 0.92 0.00 0.00 0.89 0.00 0.00 136 L 7.69 3.91 0.00 1.42 1.24 0.79 0.59 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 0.00 137 T 6.92 4.11 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 138 A 7.76 3.94 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 0.00 139 K 7.18 3.92 0.00 1.54 1.66 0.00 1.46 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.39 7.81 140 Y 7.64 4.60 0.00 3.17 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 0.00 141 R 7.98 4.15 0.00 1.94 1.84 0.00 3.15 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00