NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4207 8.3049 120.3162 55.0413 33.6992 174.9047 2 K 4.2200 7.9431 119.0022 55.1042 34.1706 176.7249 3 T 3.8729 8.3078 118.3721 67.1472 68.8942 176.7336 4 F 4.2930 8.2959 115.5677 59.7971 38.0024 177.1925 5 E 3.5606 7.0047 118.8761 59.0034 29.2650 179.0168 6 I 3.7170 7.5233 119.8244 64.1602 37.0355 178.4218 7 L 3.9799 8.0189 119.9258 57.8498 41.4961 179.7938 8 K 3.9980 8.1138 118.3661 59.6764 31.9352 179.2533 9 H 4.1826 8.1076 116.1878 58.8171 28.6595 177.8543 10 L 4.0120 8.1010 120.9091 57.7681 41.2599 179.3544 11 Q 4.1410 8.4436 119.6893 59.0384 29.0945 178.1641 12 A 4.0923 8.0970 121.8739 55.4230 18.4863 179.4021 13 D 4.3529 8.4226 117.2088 57.2239 40.7772 178.8630 14 A 4.0323 8.2486 121.4302 55.3814 18.6197 179.6136 15 I 3.2367 7.5284 117.2192 63.8347 37.8849 178.3109 16 V 3.5457 7.6196 118.9299 65.8721 31.2726 178.1046 17 L 3.7308 8.2039 119.2264 57.2603 41.2378 179.1151 18 F 4.1469 8.1792 120.9519 61.5641 39.4498 176.9385 19 M 3.8507 7.9440 117.4370 58.3112 31.9377 178.0393 20 K 3.4693 7.7910 119.8140 59.4455 32.3098 178.9718 21 V 3.5337 7.7206 111.8057 63.4640 31.4252 178.2729 22 H 3.3205 6.9652 115.4504 58.0974 28.2170 176.9031 23 N 4.0969 7.0134 118.3488 56.8188 38.7982 176.8723 24 F 4.1721 6.9601 118.6729 60.6958 38.6727 177.0457 25 H 4.2610 7.7806 118.4690 58.5371 29.6936 176.9460 26 W 4.7640 8.0487 119.5235 58.8277 29.4040 176.8400 27 N 5.1658 8.5341 114.8697 53.0533 39.3580 175.4223 28 V 4.3198 7.7147 118.1650 63.1669 32.1601 175.5631 29 K 4.7844 9.1514 125.5709 55.5160 35.8927 175.4830 30 G 4.1804 9.1563 108.7898 44.3026 0.0000 174.9532 31 T 4.1177 8.4803 108.5449 63.0583 68.9608 174.4647 32 D 4.6207 8.1989 121.6110 55.5661 41.7170 177.6635 33 F 3.5905 8.0778 120.3950 61.4681 40.4777 176.8951 34 F 4.0586 8.8733 121.5730 61.5864 39.1233 177.2615 35 N 4.2066 8.2744 115.4632 56.3998 38.4635 177.7563 36 V 3.6088 7.5761 119.9530 64.7126 31.4237 177.8792 37 H 3.7815 8.0761 119.5467 58.7727 29.2718 177.2320 38 K 3.7274 7.5673 121.2285 59.1885 31.9879 178.7624 39 A 3.8903 8.0881 121.6939 55.3648 18.2280 179.7381 40 T 3.7666 8.0413 108.6420 64.7318 68.7331 176.3269 41 E 2.5400 7.3775 120.7305 58.5853 29.6874 178.6353 42 E 3.7816 7.4686 118.3001 59.2101 29.4263 179.4928 43 I 3.6193 7.5355 120.1025 64.5155 37.2766 178.0878 44 Y 4.6132 7.8427 118.1918 59.7075 37.7810 177.8419 45 E 4.2654 7.9054 121.0470 59.3054 29.4258 178.7314 46 E 3.9151 7.9564 119.0034 59.3591 29.6798 178.9378 47 F 4.4238 8.2866 117.6478 60.4590 39.0376 177.5445 48 A 4.0807 8.5543 120.7594 55.2570 18.1001 179.4831 49 D 4.3971 8.1056 117.1181 57.6605 40.8502 178.6164 50 M 4.2098 8.5582 119.1022 58.6080 32.2866 177.8546 51 F 4.3332 8.8799 121.3025 61.6291 39.5575 176.6982 52 D 4.0926 8.1385 117.0036 57.2509 41.0053 177.9304 53 D 4.2431 8.4174 119.7232 57.1775 40.8395 178.6138 54 L 3.8432 8.2351 119.5823 57.8102 41.8078 179.4388 55 A 3.8865 7.5347 120.0263 55.3401 18.3043 179.6020 56 E 3.9227 8.1270 116.8809 59.1563 29.4873 179.5447 57 R 3.8360 8.0213 119.2148 59.2468 30.0458 178.5754 58 I 3.7613 7.7658 119.7185 64.5590 37.0370 178.8885 59 V 3.9132 7.6077 114.2578 63.8798 31.1214 178.6850 60 Q 3.9641 7.9785 117.1191 58.5933 28.6135 177.9511 61 L 4.3208 7.6913 117.5710 54.8820 41.8395 177.6365 62 G 3.6787 8.0807 107.4823 45.8177 0.0000 172.5033 63 H 4.6300 8.0688 116.6608 53.7035 32.0229 171.9750 64 H 4.8647 8.4071 117.3540 53.9224 29.6595 173.9097 65 P 4.6580 0.0000 0.0000 61.3688 32.5510 175.7379 66 L 4.3185 8.7420 119.7934 55.2618 41.7961 177.8873 67 V 4.4925 8.5267 114.0638 60.7747 33.3169 176.1369 68 T 4.7788 7.4449 110.1478 59.0607 73.0953 174.6431 69 L 4.0333 8.4903 122.3343 57.8540 41.1657 179.7798 70 S 4.0876 8.0142 112.8272 61.5282 62.4742 175.9626 71 E 4.0219 8.2515 121.0474 59.0893 29.1519 179.1468 72 A 4.0055 7.8487 120.7823 55.2185 18.3933 179.5424 73 I 3.9813 7.6116 110.1741 62.2922 37.8148 177.5058 74 K 4.1219 7.5042 120.3007 58.5472 32.2144 177.6018 75 L 4.4787 7.5586 117.4818 54.5281 42.5112 177.1164 76 T 4.3001 7.3541 109.5520 62.0619 69.1022 174.7259 77 R 4.4690 8.7146 119.6970 55.7479 31.2867 175.8391 78 V 3.9517 7.2929 118.4299 60.7545 32.7608 175.0433 79 K 4.1527 8.2730 128.4807 55.6568 32.9320 175.8015 80 E 4.0789 8.5040 126.5852 55.7995 30.3660 175.5305 81 E 4.5107 8.4836 125.1889 55.4273 30.1152 176.2894 82 T 4.2869 8.4393 114.1391 62.4922 69.8307 175.5438 83 K 4.2163 8.7267 122.5152 56.7879 32.4796 176.4646 84 T 4.6954 7.7879 109.8447 60.7950 69.2893 173.4975 85 S 4.6051 6.6053 114.1776 58.2321 65.2568 173.4806 86 F 5.0251 9.0407 124.4342 56.5889 44.3114 172.8060 87 H 5.2294 8.3694 116.4138 54.5854 31.7840 175.7711 88 S 3.5506 8.5516 116.1219 60.9612 62.9782 176.2588 89 K 3.9240 8.2554 121.9758 60.1022 31.8875 178.2900 90 D 4.3554 7.9801 118.2710 57.1807 40.6695 178.8820 91 I 2.4013 7.1911 119.8484 64.0676 37.0843 178.4065 92 F 4.3308 7.5747 118.2981 60.0750 38.5867 178.1337 93 K 4.0017 7.9487 118.4082 59.3826 31.7935 179.2107 94 E 3.9513 7.9124 118.7551 59.5399 29.3359 179.4281 95 I 3.6675 7.6241 119.7955 64.2289 37.1049 178.2388 96 L 3.8595 7.9007 121.0563 58.0910 41.9807 178.8077 97 E 4.0443 8.2754 118.5437 59.8071 29.4782 179.2513 98 D 4.6401 8.5111 118.9463 57.5429 40.7979 178.5242 99 Y 4.3933 8.6847 117.7850 61.1724 37.7967 178.5841 100 K 4.0945 8.5204 119.5178 59.5288 32.2145 178.8609 101 Y 4.1141 8.1302 119.4743 60.7261 38.7033 177.9333 102 L 3.6960 8.2410 119.9852 57.5577 41.7429 179.0848 103 E 3.9958 8.4575 119.4684 59.2515 29.5709 179.0766 104 K 3.9735 7.8237 118.2924 59.5256 32.0407 179.2277 105 E 3.8026 7.7551 118.5748 59.3661 29.2528 179.4173 106 F 4.0971 8.4215 117.7857 59.9697 38.8690 178.0349 107 K 4.0473 7.9876 118.6154 59.2362 31.8547 179.2211 108 E 3.9085 8.1381 118.9506 59.1868 29.3311 178.7937 109 L 3.8743 7.9706 120.5366 58.4310 42.2208 178.9443 110 S 4.1228 8.2780 112.7763 61.5113 62.2516 175.9380 111 N 4.3463 8.3631 119.3475 56.6861 38.3611 177.6428 112 T 3.9916 8.5091 111.2134 64.4964 68.8612 176.6211 113 A 4.1262 8.2959 125.4328 54.3350 18.3785 179.2098 114 E 3.8800 8.1499 117.6552 59.4600 29.5313 179.2367 115 K 4.0374 7.7055 117.0764 59.2755 32.1902 178.4799 116 E 4.2990 7.9586 116.3557 56.6060 29.6323 177.6801 117 G 3.8956 7.8505 107.1690 46.2764 0.0000 175.0735 118 D 4.6299 8.1399 121.4834 52.2833 38.9203 176.3625 119 K 3.8934 8.1900 123.9153 59.4303 32.6485 178.7279 120 V 3.7875 7.7582 111.6263 64.4468 31.4721 178.6384 121 T 4.1113 8.1635 115.3186 66.1957 68.1590 177.1168 122 V 3.6458 7.7256 120.4408 66.2673 31.6127 178.2822 123 T 3.8896 7.8670 109.1374 64.6871 68.6465 176.0186 124 Y 4.0024 8.0891 122.0745 60.4807 38.9090 177.7397 125 A 4.0242 8.4032 121.9309 55.4900 18.6285 179.4267 126 D 4.2843 8.3461 117.4573 57.4218 40.7885 178.8286 127 D 4.2350 7.9180 119.6695 57.3276 40.7119 178.7858 128 Q 3.5388 7.3438 118.4071 58.4385 28.3369 178.6165 129 L 3.7561 7.5442 119.8771 57.5854 41.6111 179.3495 130 A 3.9184 7.6807 120.3676 55.1782 18.3434 179.9033 131 K 3.8715 7.6427 116.4752 59.4813 31.9956 179.6706 132 L 3.7817 7.9215 119.4928 57.9400 41.4767 179.6870 133 Q 4.0404 8.3951 118.2813 58.5875 28.5782 178.7455 134 K 4.2585 7.9805 120.6035 59.6988 32.3103 179.1942 135 S 4.1650 8.1693 115.5144 61.5422 62.6640 176.6756 136 I 3.8615 8.3008 123.0042 63.9744 36.7579 178.1630 137 W 4.2790 8.1257 128.8226 60.9855 30.6204 177.8998 138 M 3.1764 7.5609 118.3762 57.9681 31.2908 178.8239 139 L 3.6684 8.1797 119.4009 57.8845 41.5901 179.6443 140 Q 3.9864 8.0766 116.6396 58.8287 29.0353 178.3402 141 A 4.1337 8.2684 122.2835 55.3846 18.1670 179.1451 142 H 3.9321 7.8932 115.8003 58.9984 29.9593 176.5777 143 L 4.3631 7.4982 117.4352 54.8033 41.6742 176.7000 144 A 4.3040 7.5729 127.7993 52.2219 19.1205 177.1653 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 M 8.30 4.42 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 2 K 7.94 4.22 0.00 1.53 1.80 0.00 1.52 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.62 7.81 3 T 8.31 3.87 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 1.27 0.00 0.00 4 F 8.30 4.29 0.00 3.17 3.22 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 0.00 0.00 0.00 5 E 7.00 3.56 0.00 1.78 1.77 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 1.77 1.47 0.00 6 I 7.52 3.72 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.74 0.79 0.00 0.00 7 L 8.02 3.98 0.00 1.93 1.74 0.98 1.11 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 8 K 8.11 4.00 0.00 1.73 1.83 0.00 1.75 0.00 0.00 1.95 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.74 7.81 9 H 8.11 4.18 0.00 3.34 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.10 4.01 0.00 1.94 1.69 0.59 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.44 4.14 0.00 2.26 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.25 0.00 12 A 8.10 4.09 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 13 D 8.42 4.35 0.00 2.99 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 14 A 8.25 4.03 1.72 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 15 I 7.53 3.24 0.89 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.95 0.91 0.00 0.00 16 V 7.62 3.55 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 0.89 0.00 0.00 0.92 0.00 0.00 17 L 8.20 3.73 0.00 1.32 0.28 0.81 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.18 4.15 0.00 3.12 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 19 M 7.94 3.85 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 20 K 7.79 3.47 0.00 1.76 1.62 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.22 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.66 1.09 7.81 21 V 7.72 3.53 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 0.97 0.00 0.00 1.08 0.00 0.00 22 H 6.97 3.32 0.00 2.51 1.31 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.01 4.10 0.00 2.63 2.45 0.00 0.00 7.24 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 6.96 4.17 0.00 2.95 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 25 H 7.78 4.26 0.00 3.05 3.04 0.00 5.79 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 W 8.05 4.76 0.00 3.56 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 27 N 8.53 5.17 0.00 3.22 3.12 0.00 0.00 6.62 8.45 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 28 V 7.71 4.32 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 0.68 0.00 0.00 0.87 0.00 0.00 29 K 9.15 4.78 0.00 1.62 1.64 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.43 7.81 30 G 9.16 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 0.00 0.00 0.00 0.00 31 T 8.48 4.12 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 32 D 8.20 4.62 0.00 2.82 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 33 F 8.08 3.59 0.00 3.40 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 34 F 8.87 4.06 0.00 3.31 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 35 N 8.27 4.21 0.00 3.00 2.90 0.00 0.00 6.86 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 36 V 7.58 3.61 1.82 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 0.87 0.00 0.00 0.65 0.00 0.00 37 H 8.08 3.78 0.00 2.16 2.92 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.57 3.73 0.00 1.25 1.55 0.00 1.38 0.00 0.00 1.42 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.19 1.30 7.81 39 A 8.09 3.89 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 40 T 8.04 3.77 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 41 E 7.38 2.54 0.00 1.68 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 1.87 1.83 0.00 42 E 7.47 3.78 0.00 2.05 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 2.21 2.30 0.00 43 I 7.54 3.62 2.04 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 1.62 0.76 1.18 0.00 0.00 44 Y 7.84 4.61 0.00 2.81 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 45 E 7.91 4.27 0.00 2.17 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 2.29 2.28 0.00 46 E 7.96 3.92 0.00 2.15 1.67 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 2.08 2.23 0.00 47 F 8.29 4.42 0.00 3.45 3.41 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 48 A 8.55 4.08 1.56 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 49 D 8.11 4.40 0.00 2.93 2.79 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 50 M 8.56 4.21 0.00 2.50 2.22 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.90 0.00 51 F 8.88 4.33 0.00 3.22 3.34 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 52 D 8.14 4.09 0.00 2.98 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 53 D 8.42 4.24 0.00 2.76 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 0.00 0.00 0.00 0.00 54 L 8.24 3.84 0.00 1.71 1.73 1.10 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.53 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.13 3.92 0.00 1.95 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 2.25 2.48 0.00 57 R 8.02 3.84 0.00 1.78 1.95 0.00 3.08 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 58 I 7.77 3.76 2.04 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 1.59 0.58 1.05 0.00 0.00 59 V 7.61 3.91 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 1.06 0.00 0.00 0.93 0.00 0.00 60 Q 7.98 3.96 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 61 L 7.69 4.32 0.00 1.93 1.76 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.08 3.68 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 63 H 8.07 4.63 0.00 3.03 2.98 0.00 5.60 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 8.41 4.86 0.00 3.18 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.66 0.00 2.09 2.16 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 66 L 8.74 4.32 0.00 1.72 1.70 1.00 1.11 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 67 V 8.53 4.49 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 0.79 0.00 0.00 0.97 0.00 0.00 68 T 7.44 4.78 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 1.26 0.00 0.00 69 L 8.49 4.03 0.00 1.76 1.76 0.89 0.75 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 70 S 8.01 4.09 0.00 3.89 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 71 E 8.25 4.02 0.00 2.22 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 2.34 2.34 0.00 72 A 7.85 4.01 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 73 I 7.61 3.98 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.42 0.92 0.00 0.00 74 K 7.50 4.12 0.00 1.89 2.06 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.48 7.81 75 L 7.56 4.48 0.00 1.75 1.65 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.35 4.30 4.42 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 1.35 0.00 0.00 77 R 8.71 4.47 0.00 1.43 1.77 0.00 3.35 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 78 V 7.29 3.95 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 0.70 0.00 0.00 0.86 0.00 0.00 79 K 8.27 4.15 0.00 1.70 1.66 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 80 E 8.50 4.08 0.00 1.94 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 0.00 2.26 2.26 0.00 81 E 8.48 4.51 0.00 1.88 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 2.49 2.47 0.00 82 T 8.44 4.29 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 1.23 0.00 0.00 83 K 8.73 4.22 0.00 1.93 1.46 0.00 1.69 0.00 0.00 2.16 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.40 7.81 84 T 7.79 4.70 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 1.30 0.00 0.00 85 S 6.61 4.61 0.00 3.72 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.04 5.03 0.00 2.98 2.82 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 87 H 8.37 5.23 0.00 3.09 3.17 0.00 5.65 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 88 S 8.55 3.55 0.00 3.96 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 89 K 8.26 3.92 0.00 1.91 1.85 0.00 1.81 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.59 7.81 90 D 7.98 4.36 0.00 2.91 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 91 I 7.19 2.40 1.18 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 0.46 0.44 -0.14 0.00 0.00 92 F 7.57 4.33 0.00 3.02 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 93 K 7.95 4.00 0.00 1.96 1.85 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.68 7.81 94 E 7.91 3.95 0.00 2.05 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 2.37 2.36 0.00 95 I 7.62 3.67 1.71 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.67 0.29 0.00 0.00 96 L 7.90 3.86 0.00 1.96 1.81 0.94 0.83 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 97 E 8.28 4.04 0.00 2.13 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 0.00 2.59 2.53 0.00 98 D 8.51 4.64 0.00 3.01 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 99 Y 8.68 4.39 0.00 3.25 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 0.00 100 K 8.52 4.09 0.00 2.10 1.96 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.69 7.81 101 Y 8.13 4.11 0.00 3.18 3.26 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 0.00 102 L 8.24 3.70 0.00 2.04 1.92 1.27 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.46 4.00 0.00 2.07 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 2.33 2.37 0.00 104 K 7.82 3.97 0.00 1.87 1.80 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.67 7.81 105 E 7.76 3.80 0.00 1.72 1.63 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 1.67 1.81 0.00 106 F 8.42 4.10 0.00 3.11 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 0.00 107 K 7.99 4.05 0.00 2.02 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.71 7.81 108 E 8.14 3.91 0.00 2.08 1.95 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 2.57 2.40 0.00 109 L 7.97 3.87 0.00 1.85 1.91 1.15 0.94 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 0.00 110 S 8.28 4.12 0.00 4.06 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 0.00 111 N 8.36 4.35 0.00 3.00 2.85 0.00 0.00 6.83 6.70 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 0.00 112 T 8.51 3.99 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 113 A 8.30 4.13 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.15 3.88 0.00 2.22 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 0.00 2.31 2.36 0.00 115 K 7.71 4.04 0.00 1.90 1.87 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.63 7.81 116 E 7.96 4.30 0.00 2.09 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 2.36 2.53 0.00 117 G 7.85 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 0.00 0.00 0.00 118 D 8.14 4.63 0.00 2.74 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 0.00 119 K 8.19 3.89 0.00 1.82 1.88 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.76 1.50 7.81 120 V 7.76 3.79 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 1.00 0.00 0.00 0.95 0.00 0.00 121 T 8.16 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 1.33 0.00 0.00 122 V 7.73 3.65 2.30 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 1.15 0.00 0.00 1.05 0.00 0.00 123 T 7.87 3.89 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 1.28 0.00 0.00 124 Y 8.09 4.00 0.00 3.17 3.28 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 0.00 125 A 8.40 4.02 1.55 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 0.00 126 D 8.35 4.28 0.00 2.73 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 0.00 127 D 7.92 4.23 0.00 2.61 2.55 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 0.00 128 Q 7.34 3.54 0.00 0.93 0.88 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 1.30 1.40 0.00 129 L 7.54 3.76 0.00 1.88 1.62 0.97 0.74 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 0.00 130 A 7.68 3.92 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 0.00 131 K 7.64 3.87 0.00 1.72 1.71 0.00 1.47 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.51 7.81 132 L 7.92 3.78 0.00 1.75 1.63 0.80 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 8.40 4.04 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 134 K 7.98 4.26 0.00 1.91 1.99 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.57 1.87 7.81 135 S 8.17 4.17 0.00 4.25 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 0.00 136 I 8.30 3.86 1.99 0.00 0.00 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 1.61 1.01 1.01 0.00 0.00 137 W 8.13 4.28 0.00 3.34 3.41 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 0.00 138 M 7.56 3.18 0.00 1.63 1.85 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.04 0.00 139 L 8.18 3.67 0.00 1.80 1.61 0.62 0.57 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 0.00 140 Q 8.08 3.99 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 141 A 8.27 4.13 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 0.00 142 H 7.89 3.93 0.00 2.89 3.24 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.50 4.36 0.00 1.68 1.69 0.93 0.88 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 0.00 144 A 7.57 4.30 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