NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7922 8.2127 109.7372 45.4568 0.0000 175.3860 *2 L 4.1896 8.2654 119.8492 54.6118 44.8553 178.6434 3 E 4.0308 8.0660 117.5104 59.3574 29.3627 179.4304 4 S 4.1217 8.0857 115.2518 61.7158 62.8951 176.9381 5 V 3.6655 7.7431 120.4440 65.9501 31.3364 177.8560 6 R 3.9395 8.1836 118.6159 59.2614 30.0181 178.4470 7 K 4.0383 8.2774 119.5951 59.2540 32.1658 178.4981 8 E 3.9281 8.3588 119.7410 58.9613 29.4080 178.4147 9 W 4.1128 8.2739 127.2691 60.6201 30.8225 177.3182 10 L 4.1965 8.0941 117.3921 58.0525 41.3994 179.2225 11 E 4.1538 8.1228 117.9897 59.3448 29.4076 180.2645 12 I 3.7568 7.5015 116.6101 62.0199 36.7988 177.6963 *14 D 4.4958 8.0326 121.7437 54.4522 42.8580 177.9698 15 R 3.8696 7.9810 118.5718 59.3229 29.9623 178.3557 16 E 3.9098 8.1416 118.3521 59.4161 29.4102 179.3872 17 L 3.9812 7.7433 118.3583 57.7764 41.6964 179.3181 18 L 3.9742 8.2368 119.3026 57.9487 41.5749 179.5816 19 E 3.9454 8.3397 118.4839 59.1626 29.4158 179.2380 20 K 3.9267 8.1782 119.5132 59.3438 32.2056 178.7248 21 A 3.9297 8.2304 121.2231 55.0466 18.3459 179.2674 22 R 3.7923 8.1592 117.5029 59.8620 30.2327 178.7454 23 S 4.1113 8.0755 114.4369 61.7681 62.6813 176.8833 24 L 4.2099 7.6745 120.0793 57.7271 41.6419 179.4404 25 I 3.7921 8.1338 120.1423 64.6171 37.1519 178.3911 26 N 4.4020 8.2256 116.5158 55.7169 38.0660 177.2904 27 A 3.7812 7.7145 121.2840 52.4677 19.4254 176.7846 28 N 4.0797 7.8337 113.4815 54.6551 36.2027 174.2947 29 Y 4.3278 7.5216 114.4889 57.6834 39.3225 176.8741 30 I 3.8876 8.6759 124.2280 64.7092 38.1489 177.5942 31 S 4.5734 7.9467 115.6621 58.0672 62.1901 173.4169 32 T 5.0800 7.5091 117.2343 62.6785 72.8109 174.9992 33 T 5.1373 8.5056 114.3534 59.8606 73.5132 172.2733 34 L 4.5042 8.6642 123.5515 53.4120 45.0698 175.0744 35 S 5.1389 8.7090 123.4753 57.3479 65.1492 173.6364 36 T 4.9913 8.8518 113.9735 60.2384 72.6887 172.5618 37 V 5.0417 8.1183 119.2321 60.6369 34.5731 173.6408 38 D 4.9128 8.5291 122.5403 51.4088 41.9025 177.2662 39 R 3.6923 8.9742 114.9729 58.8328 29.2326 177.2064 40 N 4.5365 8.0610 113.9792 53.0143 38.5787 174.9554 41 Y 3.6784 7.7873 116.8434 58.8580 36.2060 169.5065 42 E 4.2705 8.6908 120.2464 56.4184 30.6537 180.2128 43 V 4.6786 8.3971 125.3376 60.8173 33.2060 174.3807 44 N 5.1916 9.0663 125.0627 51.8904 42.8032 172.6023 45 I 5.1279 8.1084 121.0538 59.5028 41.4057 173.8560 46 A 4.7033 8.4787 128.1951 50.1876 23.1117 175.3531 47 V 4.0922 8.2568 120.6098 62.8951 32.4165 175.8552 48 I 4.5457 8.6389 129.0967 60.3508 39.7715 174.9553 49 S 4.6643 8.8247 120.5664 57.8813 64.6935 175.3928 50 V 4.1188 7.5540 122.8182 62.0229 29.8029 174.1953 51 L 5.3336 8.3770 121.9817 53.0402 46.3370 175.5002 52 E 5.3194 8.3538 119.1250 56.3682 33.2764 173.1177 *54 I 4.1628 8.3878 117.8929 62.3721 39.2041 175.1460 55 G 3.9641 8.6349 113.1903 47.3370 0.0000 174.2831 56 D 4.9253 8.8615 122.3272 53.8688 42.4268 175.5376 57 D 5.0418 8.0359 117.1511 53.0062 41.2951 175.2112 58 T 5.2740 7.9901 115.5164 62.1285 72.5190 173.3575 59 I 4.8903 8.8541 125.6425 59.4485 40.8958 174.5451 60 I 5.1325 8.9750 120.2213 59.5544 40.8052 174.0921 61 C 5.3568 8.7126 122.6419 58.0959 35.4732 172.5676 62 A 4.5207 8.7593 128.4941 51.6439 19.2511 176.7467 63 R 4.3724 9.2503 124.6367 54.8643 30.9728 176.1344 64 F 5.0282 8.3867 121.3351 56.7987 41.2295 176.2937 65 G 3.6950 6.3925 105.6808 43.5882 0.0000 174.0043 66 A 3.6749 8.5834 123.9833 52.6495 16.0710 178.6365 67 D 4.3879 7.8981 123.5050 57.6710 41.4290 178.6679 68 K 3.9267 7.9440 119.5033 59.7903 32.3604 178.4801 69 T 3.8414 7.9813 115.6083 67.0065 68.3368 175.6140 70 Y 4.0836 8.1961 120.7588 60.6835 38.9155 177.6616 71 A 3.8178 8.2304 121.7941 55.1695 18.4186 179.3139 72 N 4.1845 8.5256 115.2040 56.5840 38.7002 177.5070 73 L 4.0056 7.8720 120.1894 57.9380 41.4748 179.8355 74 K 3.9120 7.5539 117.1482 58.6992 31.9532 179.1236 75 E 4.0952 7.6113 118.3550 58.9115 29.7116 178.1971 76 T 4.4377 8.1017 107.1975 60.4656 70.8639 175.5589 77 G 3.9328 8.1734 108.7039 45.2993 0.0000 172.6532 78 K 5.0294 7.2192 117.4332 55.0254 34.5979 175.6356 79 G 4.1178 8.5177 109.1211 45.9066 0.0000 172.3680 80 V 4.5903 8.0743 118.9834 60.4306 34.7686 175.3565 81 F 5.4519 8.8797 125.0616 55.5750 41.9427 174.4175 *83 V 4.2646 8.0822 117.5772 63.4164 32.8902 174.9158 84 L 4.8066 8.3649 128.2592 53.8972 44.8778 174.8366 85 L 4.6737 9.2155 128.0053 53.3083 43.7698 175.9609 86 T 5.0482 8.4170 115.2097 60.6631 71.9858 173.5265 *87 D 4.7188 9.3541 126.9390 52.7255 42.0693 174.3900 *88 N 4.1837 9.3393 124.1006 53.2760 35.0901 170.0032 89 D 4.4119 8.0480 112.4570 55.6453 40.2775 173.0541 90 K 4.5436 7.6145 118.4467 54.1635 35.4146 174.8979 91 S 4.4651 8.7197 120.8954 58.5258 63.0548 172.2850 92 K 4.4086 8.1914 125.8349 56.5720 33.7394 175.6504 93 D 4.2795 7.0350 116.4265 53.6425 44.7666 173.8257 94 G 4.0557 8.2218 107.3634 46.9187 0.0000 171.3899 95 I 4.6433 8.3787 118.7944 60.0112 41.6207 173.8510 96 R 4.7021 8.8777 124.8860 54.2722 33.4566 174.7543 97 V 4.6973 8.7766 124.4688 61.3228 34.1963 173.8128 98 Y 4.8835 9.3461 127.0661 57.4530 39.6158 175.3849 99 V 5.1826 8.9017 115.9543 59.8753 37.0338 174.1093 100 E 5.2420 9.1239 120.3338 54.3508 33.5953 175.1956 101 L 4.0297 9.2410 127.3160 55.7550 41.9795 176.4595 102 S 4.6710 9.1066 122.6021 60.0635 64.5172 174.4839 103 A 4.5995 7.3971 118.7176 50.5629 22.7598 175.0862 104 D 5.1498 8.6884 119.1755 52.5968 43.2622 174.6021 105 L 4.9767 9.2062 125.9580 53.0581 45.3086 177.5066 106 Q 4.2035 8.5717 118.6242 55.5940 29.9212 174.7239 107 E 3.9795 7.6407 114.4965 55.1983 32.2185 173.5208 108 G 3.8606 8.8323 104.8044 44.1737 0.0000 174.1888 109 E 3.8987 8.8992 116.2111 59.8959 28.9493 178.8923 110 Y 4.2748 7.6937 117.1794 60.6034 38.0724 178.0796 111 F 4.1212 8.4606 121.0032 61.5276 39.6224 176.6340 112 D 4.4152 8.5948 118.6457 57.3191 40.5049 178.7193 113 R 3.8399 8.3063 119.3869 59.6798 30.1542 178.5405 114 I 3.7175 8.0817 118.3392 63.4185 37.8496 177.8465 115 K 3.7224 7.8735 120.9025 59.2687 31.8191 178.6218 116 K 3.8275 7.5705 117.2703 59.5769 32.3055 178.8247 117 R 3.9953 7.6476 118.6488 59.5368 30.1741 178.2104 118 L 3.9593 8.0369 120.0373 58.3522 41.7287 178.5546 119 D 4.4351 8.0568 118.1226 56.8326 40.7296 176.5279 120 N 4.8248 7.8438 115.3791 53.7277 39.0681 174.6454 121 T 4.7241 7.4347 113.6146 61.5573 72.0710 175.5370 122 T 3.7698 8.1680 118.8427 66.6971 68.6134 175.1543 123 Y 4.8068 7.4832 117.9621 57.6897 37.9742 176.8971 124 K 3.9174 7.7913 122.1419 60.3081 32.3170 178.0327 125 N 4.4204 7.9894 114.5194 54.6523 38.8393 175.1446 126 F 4.2506 8.0592 118.6769 55.9480 39.5051 173.7032 127 P 4.3078 0.0000 0.0000 62.4060 31.7979 176.1002 128 L 4.3225 8.3640 123.3948 54.6722 41.3543 176.2181 129 K 4.3758 8.8035 127.3021 59.0619 32.8467 177.4606 130 N 5.2361 8.0241 114.7845 52.1326 43.6010 173.1536 131 C 5.0670 9.5326 122.8346 57.9420 33.8157 172.3598 132 L 4.7766 8.8940 127.4150 53.5062 43.3784 175.7230 133 V 4.2974 8.6197 124.2336 61.0933 33.6157 174.2890 134 F 5.3653 9.6303 127.3002 55.6747 42.2433 174.3762 135 K 5.0367 9.0165 123.9157 55.1255 33.9463 175.3689 136 I 4.5369 8.5474 129.1960 61.3191 37.1588 175.8428 137 V 4.2699 8.8018 126.8578 63.9115 33.4953 175.5495 138 K 4.5017 7.5976 117.8776 55.5912 35.4646 173.9383 139 I 5.2504 8.5125 125.4754 59.6855 40.3148 174.7008 140 L 5.0056 9.1020 126.3429 52.0651 45.7751 174.7777 141 P 4.7168 0.0000 0.0000 62.0422 32.2456 177.0738 142 V 3.7973 8.5158 119.4567 65.5576 31.3262 176.2369 143 S 4.7716 7.7105 111.2582 56.6803 65.7018 173.4704 144 L 4.7152 8.2995 121.9553 54.3200 42.1834 176.3244 145 L 4.0596 8.1485 123.4515 55.6832 42.6703 177.3885 146 R 4.2771 8.5267 123.1146 56.3204 29.7618 172.8951 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 0 G 8.21 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 0.00 0.00 0.00 *2 L 8.27 4.19 0.00 1.75 1.70 0.89 0.87 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 3 E 8.07 4.03 0.00 2.10 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 2.40 2.46 0.00 4 S 8.09 4.12 0.00 3.90 3.92 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 5 V 7.74 3.67 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 1.16 0.00 0.00 0.95 0.00 0.00 6 R 8.18 3.94 0.00 1.99 2.12 0.00 3.14 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 7 K 8.28 4.04 0.00 2.13 1.97 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.32 7.81 8 E 8.36 3.93 0.00 2.22 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 0.00 2.35 2.34 0.00 9 W 8.27 4.11 0.00 3.40 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.09 4.20 0.00 1.96 1.79 1.04 1.15 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 11 E 8.12 4.15 0.00 2.16 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 2.58 2.50 0.00 12 I 7.50 3.76 1.60 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.14 0.77 0.00 0.00 *14 D 8.03 4.50 0.00 2.87 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 15 R 7.98 3.87 0.00 1.89 2.01 0.00 3.13 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 16 E 8.14 3.91 0.00 1.92 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 2.31 2.36 0.00 17 L 7.74 3.98 0.00 1.82 1.71 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.24 3.97 0.00 1.80 1.71 0.95 0.83 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 19 E 8.34 3.95 0.00 1.96 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 2.53 2.44 0.00 20 K 8.18 3.93 0.00 1.93 1.92 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.46 7.81 21 A 8.23 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 22 R 8.16 3.79 0.00 2.01 2.11 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 23 S 8.08 4.11 0.00 4.07 3.93 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 24 L 7.67 4.21 0.00 1.67 1.80 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.13 3.79 1.85 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.69 0.71 0.00 0.00 26 N 8.23 4.40 0.00 2.82 2.83 0.00 0.00 7.01 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.71 3.78 0.97 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 28 N 7.83 4.08 0.00 2.83 2.91 0.00 0.00 7.03 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 29 Y 7.52 4.33 0.00 2.98 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 30 I 8.68 3.89 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.55 0.98 0.00 0.00 31 S 7.95 4.57 0.00 3.99 4.05 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 32 T 7.51 5.08 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 1.31 0.00 0.00 33 T 8.51 5.14 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 1.20 0.00 0.00 34 L 8.66 4.50 0.00 1.10 1.25 -0.28 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.71 5.14 0.00 3.68 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.85 4.99 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 1.12 0.00 0.00 37 V 8.12 5.04 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 0.71 0.00 0.00 0.98 0.00 0.00 38 D 8.53 4.91 0.00 2.95 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 39 R 8.97 3.69 0.00 1.79 2.00 0.00 3.00 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.51 0.00 40 N 8.06 4.54 0.00 2.67 2.88 0.00 0.00 7.01 7.46 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 41 Y 7.79 3.68 0.00 3.20 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 42 E 8.69 4.27 0.00 1.65 1.85 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 2.24 2.13 0.00 43 V 8.40 4.68 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 0.93 0.00 0.00 1.01 0.00 0.00 44 N 9.07 5.19 0.00 2.79 2.55 0.00 0.00 6.46 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.11 5.13 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.94 0.88 0.00 0.00 46 A 8.48 4.70 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 0.00 0.00 0.00 0.00 0.00 47 V 8.26 4.09 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 0.86 0.00 0.00 0.92 0.00 0.00 48 I 8.64 4.55 1.98 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.92 1.03 0.00 0.00 49 S 8.82 4.66 0.00 4.03 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.55 4.12 2.28 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 1.03 0.00 0.00 1.16 0.00 0.00 51 L 8.38 5.33 0.00 1.45 1.33 0.44 0.75 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 52 E 8.35 5.32 0.00 2.02 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 0.00 2.22 2.25 0.00 *54 I 8.39 4.16 1.98 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.57 1.00 0.00 0.00 55 G 8.63 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 56 D 8.86 4.93 0.00 2.65 2.68 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 57 D 8.04 5.04 0.00 2.78 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 58 T 7.99 5.27 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 1.18 0.00 0.00 59 I 8.85 4.89 1.90 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 1.12 0.99 0.61 0.00 0.00 60 I 8.98 5.13 1.90 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 1.28 0.92 0.77 0.00 0.00 61 C 8.71 5.36 0.00 3.31 3.17 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 62 A 8.76 4.52 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 63 R 9.25 4.37 0.00 1.83 1.84 0.00 2.87 0.00 0.00 2.98 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.61 0.00 64 F 8.39 5.03 0.00 3.26 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 65 G 6.39 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.58 3.67 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 7.90 4.39 0.00 2.70 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 68 K 7.94 3.93 0.00 1.86 1.78 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.57 7.81 69 T 7.98 3.84 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 1.18 0.00 0.00 70 Y 8.20 4.08 0.00 3.10 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 71 A 8.23 3.82 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 72 N 8.53 4.18 0.00 2.83 2.99 0.00 0.00 7.04 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.87 4.01 0.00 1.74 1.68 1.14 0.86 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 74 K 7.55 3.91 0.00 1.48 1.67 0.00 1.42 0.00 0.00 1.32 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.80 0.97 7.81 75 E 7.61 4.10 0.00 2.01 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 2.27 2.40 0.00 76 T 8.10 4.44 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 1.14 0.00 0.00 77 G 8.17 3.93 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 0.00 0.00 0.00 78 K 7.22 5.03 0.00 1.70 1.76 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.55 7.81 79 G 8.52 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 0.00 0.00 0.00 80 V 8.07 4.59 1.73 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 0.58 0.00 0.00 -0.02 0.00 0.00 81 F 8.88 5.45 0.00 2.89 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 *83 V 8.08 4.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.97 0.00 0.00 84 L 8.36 4.81 0.00 1.59 1.45 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 85 L 9.22 4.67 0.00 1.53 1.34 0.43 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.42 5.05 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 1.18 0.00 0.00 *87 D 9.35 4.72 0.00 2.54 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *88 N 9.34 4.18 0.00 2.86 2.74 0.00 0.00 6.97 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.05 4.41 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.61 4.54 0.00 1.77 1.70 0.00 1.57 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.37 7.81 91 S 8.72 4.47 0.00 3.85 3.74 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 92 K 8.19 4.41 0.00 1.62 1.73 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.36 7.81 93 D 7.04 4.28 0.00 2.70 2.41 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 94 G 8.22 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.38 4.64 1.87 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 1.23 0.51 0.90 0.00 0.00 96 R 8.88 4.70 0.00 1.95 1.50 0.00 3.11 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 97 V 8.78 4.70 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 0.93 0.00 0.00 0.91 0.00 0.00 98 Y 9.35 4.88 0.00 3.06 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 99 V 8.90 5.18 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 1.05 0.00 0.00 0.63 0.00 0.00 100 E 9.12 5.24 0.00 1.95 1.84 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 2.27 2.30 0.00 101 L 9.24 4.03 0.00 1.56 1.54 0.42 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 102 S 9.11 4.67 0.00 3.77 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 0.00 103 A 7.40 4.60 1.15 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 0.00 0.00 104 D 8.69 5.15 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.21 4.98 0.00 1.70 1.70 1.08 0.71 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 0.00 106 Q 8.57 4.20 0.00 1.83 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 107 E 7.64 3.98 0.00 1.90 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 2.05 2.22 0.00 108 G 8.83 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 0.00 109 E 8.90 3.90 0.00 2.05 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 2.03 1.68 0.00 110 Y 7.69 4.27 0.00 3.12 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 0.00 111 F 8.46 4.12 0.00 3.20 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 0.00 112 D 8.59 4.42 0.00 2.93 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 0.00 113 R 8.31 3.84 0.00 2.07 2.20 0.00 3.15 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 114 I 8.08 3.72 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.06 0.84 0.00 0.00 115 K 7.87 3.72 0.00 1.66 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.35 7.81 116 K 7.57 3.83 0.00 2.20 1.86 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.48 1.34 7.81 117 R 7.65 4.00 0.00 1.81 2.08 0.00 3.11 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 118 L 8.04 3.96 0.00 1.85 1.75 0.73 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 119 D 8.06 4.44 0.00 2.86 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 0.00 120 N 7.84 4.82 0.00 2.82 2.80 0.00 0.00 6.81 7.63 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 0.00 121 T 7.43 4.72 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 1.34 0.00 0.00 122 T 8.17 3.77 3.48 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 0.98 0.00 0.00 123 Y 7.48 4.81 0.00 2.62 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 0.00 0.00 0.00 124 K 7.79 3.92 0.00 2.10 2.16 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.31 7.81 125 N 7.99 4.42 0.00 2.54 2.74 0.00 0.00 6.93 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 0.00 126 F 8.06 4.25 0.00 2.78 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 0.00 127 P 0.00 4.31 0.00 2.24 2.09 0.00 3.91 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 128 L 8.36 4.32 0.00 1.57 1.68 0.97 -0.28 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 0.00 129 K 8.80 4.38 0.00 1.80 1.77 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.49 1.64 7.81 130 N 8.02 5.24 0.00 2.65 2.87 0.00 0.00 6.66 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 0.00 131 C 9.53 5.07 0.00 3.14 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 0.00 132 L 8.89 4.78 0.00 1.58 1.00 1.10 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.62 4.30 1.80 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 0.19 0.00 0.00 0.48 0.00 0.00 134 F 9.63 5.37 0.00 3.09 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 0.00 135 K 9.02 5.04 0.00 1.86 1.73 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.45 7.81 136 I 8.55 4.54 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.71 0.97 0.00 0.00 137 V 8.80 4.27 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 0.76 0.00 0.00 0.99 0.00 0.00 138 K 7.60 4.50 0.00 1.77 1.49 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.36 7.81 139 I 8.51 5.25 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.85 1.00 0.00 0.00 140 L 9.10 5.01 0.00 1.76 1.61 0.92 1.18 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 0.00 141 P 0.00 4.72 0.00 2.07 2.02 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 142 V 8.52 3.80 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 0.81 0.00 0.00 0.94 0.00 0.00 143 S 7.71 4.77 0.00 3.96 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 0.00 144 L 8.30 4.72 0.00 1.66 1.72 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.15 4.06 0.00 1.59 1.59 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 146 R 8.53 4.28 0.00 1.85 1.65 0.00 3.35 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 * Residues marked with a * may have inaccurate shift predictions.