NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9880 8.3549 109.7384 45.4855 0.0000 172.6557 2 L 4.4938 8.0708 118.7155 50.8215 43.8607 175.9219 3 S 4.5933 9.4538 118.8276 57.6476 66.4147 174.9848 4 D 4.6499 8.6940 121.3243 57.4281 40.6207 179.0994 5 G 3.7209 8.1634 105.7300 48.1340 0.0000 175.4061 6 E 3.9717 8.0257 120.7924 58.6994 29.3910 179.4964 7 W 4.2546 8.3221 119.3407 59.6612 29.0073 178.1614 8 Q 4.0755 8.4880 119.6732 59.4893 28.5175 178.5658 9 Q 4.0304 8.0437 118.5984 58.8974 28.7388 178.9106 10 V 3.6901 7.8614 119.2177 66.3022 31.4056 178.1914 11 L 4.2483 8.0767 117.0809 57.3651 41.8149 178.7387 12 N 4.4917 8.5681 117.6786 56.8070 38.9669 177.1214 13 V 3.6176 7.9732 119.6546 65.7416 31.6152 177.7654 14 W 4.2644 8.5355 128.2441 60.0792 30.2996 178.0241 15 G 3.7061 7.9709 105.5718 47.7500 0.0000 175.7868 16 K 3.8574 7.6057 119.8628 59.1267 32.2882 179.3745 17 V 2.9011 6.8440 117.9352 65.7437 31.1945 177.6994 18 E 3.7514 7.2725 116.6873 59.3563 29.2801 179.0585 19 A 4.1880 7.3516 119.8842 54.0615 19.8026 177.7088 20 D 4.6596 7.8123 116.4271 52.0455 42.6488 175.1481 21 I 3.5309 7.8279 123.1498 63.6001 38.3877 176.7098 22 A 4.0539 7.9466 121.3566 54.8196 18.4095 179.5781 23 G 3.6937 8.2349 105.5504 47.7739 0.0000 175.6273 24 H 4.1828 8.2013 119.3909 58.1882 28.6941 178.0596 25 G 3.6103 8.2035 107.6661 47.8417 0.0000 175.2958 26 Q 3.8125 8.2876 122.8493 58.9132 29.1032 178.2060 27 E 3.8682 8.0922 119.4281 59.3002 29.4600 179.4825 28 V 3.5115 7.8111 118.1153 66.1424 31.6197 178.0756 29 L 3.4223 7.5871 118.4651 57.6603 41.3837 179.6940 30 I 3.6161 7.8469 120.0945 64.2486 37.0125 178.4660 31 R 3.8184 7.9900 119.6457 59.0600 29.7670 178.3737 32 L 3.8649 7.6947 120.1016 58.3358 42.1020 179.0372 33 F 4.4850 7.8157 117.9871 60.7102 38.6001 177.6694 34 T 4.2486 7.9687 108.6836 64.3121 69.0010 177.0366 35 G 3.6910 7.8479 107.8374 46.3149 0.0000 173.4215 36 H 4.7303 8.2386 118.2908 51.8479 29.4820 171.8837 37 P 4.4963 0.0000 0.0000 64.4525 31.2246 177.5112 38 E 4.0490 8.2743 116.4567 59.4821 29.3983 179.1805 39 T 3.6102 8.0387 111.0152 64.5509 68.8063 176.1233 40 L 3.5416 7.7101 123.0787 57.8274 41.7360 178.3994 41 E 4.2369 7.7970 116.5901 57.8772 29.4942 178.2515 42 K 4.4754 8.1461 117.7393 56.2503 32.8597 176.5528 43 F 4.6741 7.9997 119.1555 55.3777 39.3917 175.6674 44 D 4.4012 8.6748 127.1838 57.1572 40.9027 179.4641 45 K 3.6891 7.9342 118.8031 58.4727 32.2392 176.9045 46 F 5.0891 7.9315 114.7955 56.5916 40.2766 176.8092 47 K 4.0890 7.7199 120.5267 59.3981 32.6868 178.2038 48 H 4.2936 8.3938 115.1061 58.2706 28.6242 176.1544 49 L 3.8533 6.9256 119.3411 55.2299 41.9449 176.2225 50 K 4.3518 9.7685 122.4875 57.8806 34.2197 177.4476 51 T 4.4897 7.7787 108.6557 60.3516 71.7948 175.1975 52 E 3.9498 8.6123 122.2784 59.1095 29.6792 179.0917 53 A 3.9511 7.9097 120.7009 55.1634 18.3253 179.1510 54 E 3.9190 8.0678 115.8645 59.7837 29.8705 179.2362 55 M 4.1415 7.8952 118.2769 58.4157 31.8648 178.7850 56 K 3.9082 8.0765 118.1929 59.1966 32.4242 178.0434 57 A 4.3596 7.7018 119.2977 52.2934 19.0166 177.2833 58 S 4.2452 7.4610 113.3635 58.0966 62.8610 174.7483 59 E 4.1910 8.8461 128.0927 59.1581 29.4141 178.5444 60 D 4.4877 8.1343 117.9554 57.1193 41.3555 177.8344 61 L 3.6447 8.0285 121.1437 57.6414 41.9740 178.8209 62 K 3.8991 7.6362 118.4650 59.0496 32.0809 178.7114 63 K 3.9174 8.1446 120.0534 59.9445 32.1527 178.3182 64 H 4.4122 8.5617 118.6140 59.2003 29.7628 177.4275 65 G 3.5496 8.2443 107.7636 47.9288 0.0000 175.8903 66 T 3.8633 7.8699 118.0763 66.3477 68.5921 176.8726 67 V 3.6036 7.7485 120.1325 65.9860 31.4903 178.1813 68 V 3.6089 7.8693 117.8494 66.2515 31.3988 178.1084 69 L 4.1795 7.9738 118.5766 58.0056 41.4946 179.7029 70 T 3.9997 8.2693 115.8777 66.4249 68.3323 176.6193 71 A 3.9971 8.0123 122.5921 55.0584 18.3666 179.4301 72 L 3.7328 8.2688 119.2767 58.0915 42.1369 179.2802 73 G 3.1364 8.4291 106.0266 47.4610 0.0000 175.7289 74 G 3.6062 7.5957 106.5022 47.6488 0.0000 175.5126 75 I 3.8233 7.5004 122.6777 64.0190 37.1658 178.6145 76 L 3.9700 7.8087 120.0112 57.6190 41.1647 179.5322 77 K 4.0054 7.6685 116.9015 58.2827 32.2678 178.5762 78 K 3.9876 7.8481 118.0567 55.8045 32.6072 176.5436 79 K 2.0000 8.2574 118.2651 56.4057 29.8689 175.3369 80 G 3.9483 7.8157 106.1578 45.9189 0.0000 174.1700 81 H 4.5535 7.1335 118.5853 55.0891 27.2809 174.7788 82 H 5.3676 7.6219 111.9540 53.9131 29.3704 176.6739 83 E 4.0202 8.4629 121.5292 60.3644 29.0231 178.3302 84 A 4.0825 7.9082 120.3643 54.8499 18.6712 179.0040 85 E 4.0769 8.1122 116.7969 59.5794 29.6862 179.3441 86 L 4.0639 8.1066 118.9632 57.1172 41.5995 179.3311 87 K 3.8597 7.6822 117.9659 59.1750 32.1010 177.2338 88 P 4.2048 0.0000 0.0000 65.8424 31.0250 178.4130 89 L 3.4293 7.6844 117.8366 57.2379 41.7047 178.8082 90 A 4.1028 7.7962 120.5646 55.5489 18.2352 179.6277 91 Q 3.9174 8.1349 116.3152 59.0897 28.7700 179.1161 92 S 4.0308 7.9519 113.9596 61.8209 62.4908 175.9002 93 Y 4.4413 8.4064 119.0460 60.3537 37.4084 177.5238 94 A 3.1148 7.8166 121.0625 53.2869 18.9358 177.7619 95 T 4.1438 7.0997 105.2607 63.6053 70.4621 175.9790 96 K 3.9345 7.6329 123.2633 58.6892 32.7954 177.9204 97 H 4.2678 8.1610 116.0660 56.3343 29.4810 175.7480 98 K 2.8695 7.4902 116.7947 57.0225 28.7801 176.8750 99 I 3.9875 7.4477 119.5132 59.1905 37.3099 175.0915 100 P 4.5068 0.0000 0.0000 62.5872 31.8051 177.5741 101 I 3.6775 8.5886 121.0091 64.4433 36.7958 178.3673 102 K 3.5821 7.9314 120.1100 59.7558 31.8524 178.1429 103 Y 4.2233 7.8594 116.8383 61.1210 37.7761 178.5619 104 L 4.1867 7.9748 119.4947 57.4889 41.7351 179.0251 105 E 3.9176 7.9892 119.4308 59.2794 29.6551 178.5896 106 F 4.4918 8.1983 118.2275 61.0930 39.0970 177.7399 107 I 3.8730 8.1994 117.7711 63.8616 37.7954 178.0871 108 S 4.2238 8.2108 116.3917 61.8342 62.7445 176.3826 109 D 4.4809 8.3635 121.3102 57.2898 40.5094 178.7307 110 A 4.0722 8.1604 121.4240 55.0274 18.3575 179.7253 111 I 3.6704 7.9144 118.3656 64.6418 37.3599 178.6042 112 I 3.8387 7.6840 120.0654 64.6654 36.8968 177.7582 113 H 4.1349 8.3538 118.9636 59.5270 29.5975 177.3943 114 V 3.5679 8.0129 119.8388 65.8914 31.3488 177.9293 115 L 3.8842 7.9019 118.7174 58.1738 41.1628 179.2891 116 H 4.3836 7.9014 114.4738 58.9355 28.7131 177.5426 117 S 4.1799 8.1704 114.3285 60.8667 62.2975 175.6284 118 K 4.1993 8.1477 119.6301 56.9033 33.4478 176.3855 119 H 4.9618 8.1198 116.1991 53.4409 29.2754 172.2312 120 P 4.4129 0.0000 0.0000 64.6726 31.5145 177.2766 121 G 3.9662 9.1691 111.6251 45.4010 0.0000 172.8714 122 D 4.7973 8.2094 117.5116 53.7838 41.4883 176.0501 123 F 4.9382 7.8415 120.0268 55.7635 39.6127 174.9472 124 G 3.7970 8.2109 113.3111 43.6844 0.0000 171.0872 125 A 3.8898 8.3383 121.9765 54.9892 18.3801 179.7445 126 D 4.2011 7.9589 116.9622 56.5650 39.5223 178.4828 127 A 4.0152 7.8169 121.9581 54.7959 18.4950 179.1430 128 Q 3.6791 7.9631 118.5782 59.0657 29.0256 178.8442 129 G 3.5167 7.9486 106.4880 47.7096 0.0000 175.6059 130 A 3.8926 8.0038 123.4979 54.9886 18.3934 179.4334 131 M 4.0196 8.3813 116.9510 58.9731 32.3384 178.5566 132 T 3.8945 8.0841 115.9127 66.6727 68.6934 176.7319 133 K 4.0755 8.0698 120.0791 59.4548 32.1640 179.2980 134 A 3.8912 8.0383 121.0623 55.1081 18.2705 179.7028 135 L 4.1515 8.0482 117.5085 57.6893 41.6458 179.5567 136 E 4.0157 8.2959 118.9104 59.1512 29.4261 178.8627 137 L 3.9706 8.0254 120.4139 58.1975 42.1925 178.7607 138 F 4.2107 8.2069 120.1157 61.4527 39.3558 177.0806 139 R 3.5209 8.1812 118.2409 59.3048 29.9021 177.9798 140 N 4.3268 8.5570 117.3419 56.7660 38.6916 176.6627 141 D 4.3839 8.2139 120.3777 57.1743 40.7991 178.8540 142 I 3.5336 7.3663 119.8261 64.1156 37.0377 178.1442 143 A 3.7346 8.2095 121.8006 55.0511 18.2311 179.5361 144 A 3.9453 8.0202 119.1828 55.3714 18.4877 180.0947 145 K 4.0624 7.8576 116.8513 59.6171 32.1160 179.2480 146 Y 4.3301 8.4306 117.4251 61.0069 37.9335 178.5692 147 K 3.9706 8.2140 120.5768 59.4462 32.0997 178.3567 148 E 3.9698 7.8747 117.9906 59.2594 29.7163 178.1534 149 L 4.3706 7.9879 115.6447 54.4543 41.9277 177.4516 150 G 3.8716 7.6611 106.6325 46.3681 0.0000 174.8566 151 F 4.6211 7.8425 123.9664 55.8399 37.7736 174.8142 152 Q 4.0122 8.3427 126.0433 57.9375 29.1822 177.0016 153 G 3.3936 6.8992 109.4531 45.5042 0.0000 171.9431 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 G 8.35 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.07 4.49 0.00 0.77 0.70 0.50 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.45 4.59 0.00 4.07 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.69 4.65 0.00 2.78 2.84 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 5 G 8.16 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 6 E 8.03 3.97 0.00 1.96 1.74 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 2.23 2.27 0.00 7 W 8.32 4.25 0.00 3.56 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 8 Q 8.49 4.08 0.00 2.32 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 9 Q 8.04 4.03 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 10 V 7.86 3.69 2.43 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 1.18 0.00 0.00 0.80 0.00 0.00 11 L 8.08 4.25 0.00 1.77 1.80 0.92 0.93 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 12 N 8.57 4.49 0.00 2.86 3.01 0.00 0.00 6.72 8.57 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 13 V 7.97 3.62 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.21 0.00 0.00 14 W 8.54 4.26 0.00 3.61 3.24 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 0.00 15 G 7.97 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.61 3.86 0.00 1.55 1.48 0.00 1.50 0.00 0.00 1.13 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.38 7.81 17 V 6.84 2.90 0.67 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 0.14 0.00 0.00 0.24 0.00 0.00 18 E 7.27 3.75 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.32 0.00 19 A 7.35 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 20 D 7.81 4.66 0.00 2.70 2.51 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 0.00 21 I 7.83 3.53 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.24 0.89 0.00 0.00 22 A 7.95 4.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.23 3.69 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 0.00 0.00 0.00 24 H 8.20 4.18 0.00 3.10 3.23 0.00 5.83 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 25 G 8.20 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 0.00 0.00 0.00 0.00 26 Q 8.29 3.81 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 27 E 8.09 3.87 0.00 2.11 1.93 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 2.25 2.42 0.00 28 V 7.81 3.51 2.16 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 1.00 0.00 0.00 0.98 0.00 0.00 29 L 7.59 3.42 0.00 1.39 0.94 0.80 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.85 3.62 1.78 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 1.34 0.91 0.87 0.00 0.00 31 R 7.99 3.82 0.00 1.94 2.10 0.00 3.01 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 32 L 7.69 3.86 0.00 1.70 1.41 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.82 4.49 0.00 3.00 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 34 T 7.97 4.25 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 1.26 0.00 0.00 35 G 7.85 3.69 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 0.00 0.00 0.00 36 H 8.24 4.73 0.00 3.04 3.12 0.00 5.64 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 37 P 0.00 4.50 0.00 2.15 2.09 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 38 E 8.27 4.05 0.00 2.30 2.31 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 2.40 2.62 0.00 39 T 8.04 3.61 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 0.68 0.00 0.00 40 L 7.71 3.54 0.00 1.35 1.71 -0.14 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.80 4.24 0.00 2.11 2.03 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 2.37 2.53 0.00 42 K 8.15 4.48 0.00 1.53 1.61 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.65 1.81 7.81 43 F 8.00 4.67 0.00 3.15 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 44 D 8.67 4.40 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.93 3.69 0.00 1.35 0.74 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.65 1.14 7.81 46 F 7.93 5.09 0.00 2.89 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 47 K 7.72 4.09 0.00 1.99 2.05 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.55 1.40 7.81 48 H 8.39 4.29 0.00 3.31 3.48 0.00 5.56 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 49 L 6.93 3.85 0.00 1.56 1.61 0.87 1.29 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 50 K 9.77 4.35 0.00 1.72 1.80 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.37 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.48 7.81 51 T 7.78 4.49 4.23 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 1.20 0.00 0.00 52 E 8.61 3.95 0.00 2.04 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 2.35 2.35 0.00 53 A 7.91 3.95 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 54 E 8.07 3.92 0.00 2.12 2.03 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 2.36 2.36 0.00 55 M 7.90 4.14 0.00 2.06 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.52 0.00 56 K 8.08 3.91 0.00 1.84 1.91 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.47 7.81 57 A 7.70 4.36 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.46 4.25 0.00 3.92 3.85 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 59 E 8.85 4.19 0.00 2.05 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 2.32 0.00 60 D 8.13 4.49 0.00 2.92 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 61 L 8.03 3.64 0.00 1.29 1.46 0.76 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.64 3.90 0.00 1.89 1.99 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 63 K 8.14 3.92 0.00 2.05 2.09 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 H 8.56 4.41 0.00 3.69 3.45 0.00 5.84 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 65 G 8.24 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.87 3.86 4.44 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 1.23 0.00 0.00 67 V 7.75 3.60 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 1.07 0.00 0.00 1.02 0.00 0.00 68 V 7.87 3.61 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 1.13 0.00 0.00 0.99 0.00 0.00 69 L 7.97 4.18 0.00 1.80 1.84 0.87 0.93 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 70 T 8.27 4.00 4.29 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 1.26 0.00 0.00 71 A 8.01 4.00 1.44 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 72 L 8.27 3.73 0.00 1.63 1.66 0.23 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.43 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 0.00 0.00 0.00 74 G 7.60 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 0.00 0.00 0.00 0.00 75 I 7.50 3.82 1.82 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 1.52 1.01 0.90 0.00 0.00 76 L 7.81 3.97 0.00 1.16 1.56 0.12 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.67 4.01 0.00 1.75 1.78 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.52 7.81 78 K 7.85 3.99 0.00 1.78 1.85 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.57 1.58 7.81 79 K 8.26 2.00 0.00 1.22 0.74 0.00 1.13 0.00 0.00 1.49 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.52 1.03 7.81 80 G 7.82 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 0.00 0.00 0.00 81 H 7.13 4.55 0.00 3.08 3.23 0.00 5.79 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 82 H 7.62 5.37 0.00 3.26 3.43 0.00 5.65 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 83 E 8.46 4.02 0.00 2.24 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 0.00 2.37 2.39 0.00 84 A 7.91 4.08 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.11 4.08 0.00 2.28 2.02 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 2.39 2.46 0.00 86 L 8.11 4.06 0.00 1.71 1.67 0.80 0.93 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 87 K 7.68 3.86 0.00 1.83 1.87 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.65 7.81 88 P 0.00 4.20 0.00 2.30 2.29 0.00 3.45 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 89 L 7.68 3.43 0.00 1.79 1.37 0.89 1.09 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 90 A 7.80 4.10 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 91 Q 8.13 3.92 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 92 S 7.95 4.03 0.00 3.94 3.77 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 93 Y 8.41 4.44 0.00 3.10 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 94 A 7.82 3.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.10 4.14 4.15 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 1.13 0.00 0.00 96 K 7.63 3.93 0.00 1.63 1.88 0.00 1.67 0.00 0.00 1.44 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.13 1.33 7.81 97 H 8.16 4.27 0.00 3.21 3.22 0.00 6.06 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.49 2.87 0.00 1.81 1.82 0.00 1.77 0.00 0.00 1.54 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.19 1.28 7.81 99 I 7.45 3.99 1.74 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 -0.29 0.88 0.00 0.00 100 P 0.00 4.51 0.00 1.92 1.97 0.00 2.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.53 0.00 101 I 8.59 3.68 1.81 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.87 0.78 0.00 0.00 102 K 7.93 3.58 0.00 1.66 1.56 0.00 1.50 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.24 0.36 7.81 103 Y 7.86 4.22 0.00 3.17 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 0.00 104 L 7.97 4.19 0.00 1.85 1.80 0.90 1.12 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 0.00 105 E 7.99 3.92 0.00 1.98 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 2.39 0.00 106 F 8.20 4.49 0.00 3.26 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 0.00 107 I 8.20 3.87 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.38 1.11 0.00 0.00 108 S 8.21 4.22 0.00 4.22 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 0.00 109 D 8.36 4.48 0.00 3.00 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 0.00 110 A 8.16 4.07 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 0.00 111 I 7.91 3.67 2.11 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 1.58 1.01 0.99 0.00 0.00 112 I 7.68 3.84 2.15 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.42 1.15 0.00 0.00 113 H 8.35 4.13 0.00 3.41 3.55 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.01 3.57 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 0.97 0.00 0.00 115 L 7.90 3.88 0.00 1.42 0.84 0.27 0.60 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 0.00 116 H 7.90 4.38 0.00 3.34 3.40 0.00 5.66 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.17 4.18 0.00 3.82 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 0.00 118 K 8.15 4.20 0.00 1.60 1.46 0.00 1.59 0.00 0.00 1.35 0.00 0.00 2.52 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.25 1.32 7.81 119 H 8.12 4.96 0.00 3.21 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.41 0.00 2.19 2.11 0.00 3.86 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 121 G 9.17 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.21 4.80 0.00 2.66 2.84 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 0.00 123 F 7.84 4.94 0.00 2.81 2.87 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 0.00 124 G 8.21 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 0.00 125 A 8.34 3.89 1.26 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 0.00 126 D 7.96 4.20 0.00 2.93 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.82 4.02 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 0.00 128 Q 7.96 3.68 0.00 1.44 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 129 G 7.95 3.52 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 0.00 0.00 0.00 130 A 8.00 3.89 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 M 8.38 4.02 0.00 2.41 2.29 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.79 0.00 132 T 8.08 3.89 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 1.23 0.00 0.00 133 K 8.07 4.08 0.00 1.82 1.71 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.58 7.81 134 A 8.04 3.89 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.05 4.15 0.00 1.92 1.84 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.30 4.02 0.00 2.21 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 2.35 2.49 0.00 137 L 8.03 3.97 0.00 1.82 1.97 0.99 0.90 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 0.00 138 F 8.21 4.21 0.00 3.16 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 0.00 139 R 8.18 3.52 0.00 2.15 2.00 0.00 3.22 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 140 N 8.56 4.33 0.00 2.92 2.79 0.00 0.00 7.25 8.14 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 0.00 141 D 8.21 4.38 0.00 2.74 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.37 3.53 1.47 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.17 0.26 0.00 0.00 143 A 8.21 3.73 1.26 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 0.00 144 A 8.02 3.95 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 0.00 145 K 7.86 4.06 0.00 1.98 1.94 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.49 7.81 146 Y 8.43 4.33 0.00 3.20 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.21 3.97 0.00 1.87 1.97 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 148 E 7.87 3.97 0.00 2.07 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 2.34 2.37 0.00 149 L 7.99 4.37 0.00 1.70 1.69 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.66 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 0.00 151 F 7.84 4.62 0.00 2.81 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 0.00 152 Q 8.34 4.01 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 153 G 6.90 3.39 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 0.00