NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4444 8.2893 120.3243 55.1529 33.7094 174.5918 1 V 4.2690 7.7508 118.1221 59.1746 33.4762 173.7236 2 L 4.2035 8.2580 124.7137 54.0629 43.3818 178.6684 3 S 4.5187 8.8064 117.7148 57.6932 65.3044 175.1742 4 E 4.2707 8.8141 122.5956 59.4854 29.4983 179.0377 5 G 3.6373 8.1136 105.3015 47.8067 0.0000 175.3262 6 E 3.9011 8.1724 120.9606 59.0196 29.3958 179.4758 7 W 4.3988 8.1448 118.9188 60.0179 29.0168 178.6325 8 Q 4.1447 8.5958 118.1632 58.9042 27.9791 178.7960 9 L 4.0451 7.9736 119.8818 57.5752 41.6288 179.6544 10 V 3.7671 7.9330 118.2505 66.2705 31.6097 178.2325 11 L 4.2754 8.5376 118.8424 57.7282 41.1937 178.9841 12 H 4.1801 8.4557 118.4720 59.0986 30.1019 177.3471 13 V 3.8419 7.8893 121.2657 64.3499 31.4390 178.2297 14 W 3.8911 8.5596 128.8814 60.0750 30.2645 177.7599 15 A 4.0053 7.9978 120.2064 54.9688 18.0330 179.4478 16 K 3.9596 7.8320 117.1978 59.2491 32.1144 179.4855 17 V 2.7264 7.2385 118.0464 65.8629 31.0090 177.4200 18 E 4.0175 7.6803 115.1568 57.8576 29.2820 178.5277 19 A 4.2153 7.5969 121.2148 54.2374 19.8352 177.7048 20 D 4.6979 7.8175 115.9452 52.2716 43.1353 175.7764 21 V 3.6560 7.8852 123.8944 64.1313 31.7818 178.2242 22 A 4.0477 8.0074 121.0686 55.0058 18.3396 179.6760 23 G 3.6876 8.3474 105.5107 45.5192 0.0000 175.6541 24 H 4.1393 8.2241 118.5312 58.4534 28.6121 178.1385 25 G 3.5294 8.2869 107.7344 47.7606 0.0000 175.7822 26 Q 4.0155 8.0476 120.3975 58.9202 28.7097 178.6143 27 D 4.4075 7.9362 119.7646 57.4196 40.7343 179.0269 28 I 3.5984 7.8213 120.3213 64.5083 36.9888 178.1574 29 Y 3.6833 7.9010 117.6643 60.8885 37.6292 178.5674 30 I 3.7147 7.9141 120.9091 64.3386 37.2095 178.4498 31 R 3.7820 8.0720 119.5989 59.2027 29.8389 178.1745 32 L 3.8771 7.9094 120.3096 58.4277 41.6391 179.1133 33 F 4.5696 8.1262 117.3978 59.8275 38.6139 177.1188 34 K 4.2884 7.9205 116.3736 57.3865 32.3321 178.2048 35 S 4.5025 7.8272 114.8076 59.2488 64.8947 174.1445 36 H 4.6251 8.0799 118.7581 51.8307 29.3307 171.7681 37 P 4.5419 0.0000 0.0000 64.6029 31.3935 177.4790 38 E 4.1115 8.2691 116.2435 59.5601 29.5043 179.1611 39 T 3.7690 7.8875 110.8064 64.5424 68.7274 176.2167 40 L 3.8038 8.0186 122.6585 57.8096 41.7490 178.6691 41 E 4.1498 7.9685 117.2640 58.7594 29.4201 178.8059 42 K 4.4355 8.0835 117.1454 57.2204 32.6432 176.9230 43 F 4.5393 8.1537 118.9045 55.7226 38.3178 176.0660 44 D 4.3956 8.5832 126.7975 57.1534 40.8160 178.5467 45 R 4.0012 7.5529 115.9675 57.2883 30.6153 176.8038 46 F 4.9847 7.4772 114.5808 56.7166 40.4263 176.9537 47 K 4.0444 8.1329 120.5565 59.3264 32.3876 177.8226 48 H 4.4278 8.1347 114.0347 57.0264 29.1248 175.6801 49 L 4.0188 7.4054 121.2107 55.1903 41.6799 176.9869 50 K 4.2938 9.2523 123.5064 57.4569 33.3398 176.9251 51 T 4.7442 7.2878 107.5652 58.8454 73.2542 174.2560 52 E 3.9216 8.6322 120.7470 59.2441 29.6044 178.4397 53 A 3.9744 7.9572 120.4340 55.2999 18.2707 179.3304 54 E 3.9433 7.9081 115.8423 59.6959 29.6490 179.1954 55 M 4.1349 8.0296 118.8746 58.2848 31.8154 178.7634 56 K 3.9339 8.2171 118.8153 59.0528 32.4731 178.0267 57 A 4.4286 7.7754 118.8795 51.9359 19.0079 177.1132 58 S 4.2384 7.3979 113.8149 57.4627 62.6147 174.3759 59 E 3.9870 8.8653 129.5253 59.3799 29.4827 178.2137 60 D 4.4649 8.1234 118.6302 57.3233 40.9234 178.3382 61 L 3.0507 7.9138 120.8588 57.4697 41.9506 178.8281 62 K 3.8820 7.9442 119.6697 59.5830 32.1463 178.9066 63 K 4.0277 8.2248 118.7283 59.4822 31.8661 179.1445 64 Q 4.2282 8.4340 120.0658 59.1620 29.0155 178.4517 65 G 3.7253 8.5986 107.1866 47.8770 0.0000 175.8020 66 V 3.6517 7.9335 120.6199 65.7333 31.4854 178.3719 67 R 3.9777 8.1028 117.8415 59.2183 29.8947 179.0873 68 V 3.6550 8.0838 118.0493 66.3066 31.5477 178.1851 69 L 4.2638 8.1378 118.5370 58.0172 41.4336 179.7178 70 T 4.0583 8.2788 115.8158 66.4056 68.4601 176.7607 71 A 4.0055 8.2853 122.9353 55.0994 18.3820 179.4913 72 L 3.7265 8.3759 119.4623 58.0043 42.0644 179.3506 73 G 3.2152 8.5265 105.9872 47.6104 0.0000 175.5615 74 A 3.9642 7.8267 122.1829 54.7564 18.6402 179.5437 75 I 3.7561 7.5341 118.1990 64.5679 37.1955 178.6205 76 L 3.9556 7.8929 120.1351 57.7273 41.1982 179.6523 77 K 3.9587 7.8102 116.8068 58.4036 32.2551 178.7588 78 K 3.9304 7.8224 118.2819 56.0276 32.9305 176.3782 79 K 2.0000 8.0912 118.5434 56.2559 29.6523 175.2553 80 G 3.9138 7.6301 105.5557 45.6756 0.0000 173.0646 81 H 4.6510 7.2502 119.1145 55.3358 27.6668 174.9222 82 H 5.4989 7.1461 110.0001 54.6500 29.2740 176.9499 83 E 3.9909 8.5091 121.8652 60.4288 28.9970 178.8267 84 A 4.0428 7.8950 118.8322 55.2858 17.7233 179.1170 85 E 4.0974 8.1416 116.6213 59.3947 29.6331 179.2460 86 L 4.3116 8.2223 118.8650 57.0167 41.6788 179.2233 87 K 3.9179 7.7400 118.5541 59.1856 32.0497 177.4025 88 P 4.3193 0.0000 0.0000 65.6826 31.2787 178.1798 89 L 4.0072 7.5741 120.2097 57.9355 42.0096 178.7854 90 A 4.1724 8.5180 121.1773 55.2409 18.3397 179.3978 91 Q 3.9132 8.2724 118.3075 59.3402 29.0938 178.6469 92 S 4.0510 8.2874 115.3748 61.9099 63.0682 176.2017 93 H 4.1860 8.7741 119.7817 57.9114 28.1986 177.7663 94 A 2.7414 7.9838 122.2521 54.9832 18.5172 179.3057 95 T 3.8932 7.5275 112.1725 64.6583 68.8572 175.8033 96 K 4.1933 7.5176 119.5778 58.1445 33.4853 176.8014 97 H 4.3223 8.0011 114.2905 55.9901 29.5542 175.3531 98 K 3.3020 7.5244 116.9816 57.0804 28.5105 176.0398 99 I 4.3132 8.0322 119.1831 58.7260 38.1472 175.0053 100 P 4.6024 0.0000 0.0000 62.2651 32.1282 177.4721 101 I 3.7257 8.8045 121.3254 64.4523 36.8906 178.8522 102 K 3.9629 7.8223 120.4832 59.6874 32.2228 178.6372 103 Y 4.2064 8.0051 117.6819 60.6116 37.8093 178.0439 104 L 4.2231 7.9334 119.7277 57.6479 41.7369 179.1577 105 E 4.0308 8.2447 118.8210 59.3721 29.4114 179.2832 106 F 4.6037 8.0512 117.8633 60.8156 38.9127 177.6304 107 I 3.8606 8.2135 118.1390 63.8707 37.7262 178.1237 108 S 4.1902 8.2944 116.4087 61.6482 62.5995 176.4015 109 E 4.0525 8.6339 121.2353 59.4198 29.1968 179.3295 110 A 3.9956 8.2170 120.8094 55.0400 18.3495 179.7367 111 I 3.6273 8.0879 118.6040 64.7087 37.1652 178.7207 112 I 3.7998 7.9745 120.6026 64.5708 36.9171 177.9843 113 H 4.1031 8.5603 119.3262 59.3731 29.6536 177.5702 114 V 3.5588 7.9453 120.0378 65.9338 31.2673 178.0136 115 L 3.7214 7.9021 118.9502 57.7899 41.0358 178.9000 116 H 4.3600 8.0885 117.6742 59.2827 29.8638 177.0761 117 S 4.1499 7.7683 114.0223 61.4608 62.3907 175.9707 118 R 4.0250 7.9561 119.5592 57.7286 31.3425 176.6607 119 H 5.0473 8.1561 114.9432 53.9100 29.0658 173.0925 120 P 4.3734 0.0000 0.0000 65.5164 31.8205 178.7256 121 G 3.7574 8.1304 107.0062 47.7475 0.0000 173.7345 122 N 5.1024 8.3817 114.6689 52.7244 40.4268 174.5562 123 F 4.9065 7.9846 118.7828 56.3845 39.6692 174.2369 124 G 3.9242 7.6861 108.7119 43.7918 0.0000 172.0085 125 A 3.8952 8.4258 120.7243 55.4875 18.3479 179.7401 126 D 4.1752 7.9637 116.5002 57.3958 40.9183 178.7569 127 A 3.8954 7.7319 120.7666 55.1408 18.4247 179.3081 128 Q 2.9311 7.8087 118.5222 58.7021 28.9377 178.5935 129 G 3.5261 8.1266 106.8088 47.7136 0.0000 175.5121 130 A 3.8211 7.9271 123.3515 54.9480 18.3135 179.4029 131 M 3.9852 8.1440 116.8110 58.7408 32.3053 177.8374 132 N 4.2863 8.5566 117.6562 56.6540 39.0827 176.6433 133 K 3.8341 8.1798 120.8045 59.4325 32.2442 178.6158 134 A 3.8220 7.9719 121.0518 55.1645 18.2070 179.6843 135 L 4.1170 8.2613 117.7434 57.8298 41.6201 179.5783 136 E 3.9779 8.6482 119.2176 59.1746 29.2957 179.0849 137 L 3.9578 8.1530 120.4930 58.0307 42.1146 178.6048 138 F 4.1359 8.3923 120.5717 61.6526 39.2438 177.3856 139 R 3.4194 8.3036 117.7686 58.7606 29.7854 178.9843 140 K 3.8275 8.3474 119.8977 59.6984 32.2300 178.7053 141 D 4.3288 8.2637 119.3681 57.2182 40.7230 178.8137 142 I 3.3571 7.6319 120.5001 64.1273 37.0004 178.2815 143 A 3.7743 7.9485 121.6891 54.9843 18.2403 179.5303 144 A 3.9324 7.9001 119.3050 55.1977 18.4609 179.8417 145 K 3.9592 8.0690 118.2008 59.5930 32.1699 178.4687 146 Y 4.4665 8.5143 117.6308 61.2984 37.9915 178.7356 147 K 3.9393 8.2280 120.1817 59.7357 32.0768 178.6508 148 E 4.0508 8.0002 117.4919 59.1450 29.4668 178.6203 149 L 4.3424 7.8920 116.8724 55.3113 41.9621 177.7424 150 G 3.9862 7.9599 107.3221 45.0899 0.0000 172.3062 151 Y 4.7531 7.8153 120.7371 55.2650 40.3627 175.4953 152 Q 3.7764 8.4267 128.7663 57.5186 29.7530 175.9074 153 G 3.6038 6.2293 110.7488 45.5917 0.0000 172.9325 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 M 8.29 4.44 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 1 V 7.75 4.27 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 0.75 0.00 0.00 1.00 0.00 0.00 2 L 8.26 4.20 0.00 0.92 0.72 0.66 -0.39 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 3 S 8.81 4.52 0.00 4.04 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 4 E 8.81 4.27 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 5 G 8.11 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.17 3.90 0.00 1.92 1.70 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 2.20 2.25 0.00 7 W 8.14 4.40 0.00 3.58 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 8 Q 8.60 4.14 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 9 L 7.97 4.05 0.00 1.88 1.73 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.93 3.77 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.93 0.00 0.00 11 L 8.54 4.28 0.00 1.83 1.80 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.46 4.18 0.00 3.45 3.40 0.00 5.75 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 13 V 7.89 3.84 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 1.08 0.00 0.00 0.89 0.00 0.00 14 W 8.56 3.89 0.00 3.65 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 15 A 8.00 4.01 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 16 K 7.83 3.96 0.00 1.49 1.61 0.00 1.68 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.50 7.81 17 V 7.24 2.73 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 0.00 0.00 0.08 0.00 0.00 0.20 0.00 0.00 18 E 7.68 4.02 0.00 2.05 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 2.32 2.27 0.00 19 A 7.60 4.22 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 20 D 7.82 4.70 0.00 2.72 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 V 7.89 3.66 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 0.72 0.00 0.00 0.87 0.00 0.00 22 A 8.01 4.05 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 23 G 8.35 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 8.22 4.14 0.00 3.25 3.18 0.00 5.82 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 8.29 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.02 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 27 D 7.94 4.41 0.00 2.77 2.64 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 0.00 0.00 0.00 0.00 28 I 7.82 3.60 1.66 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.68 0.68 0.00 0.00 29 Y 7.90 3.68 0.00 2.92 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 3.71 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 0.96 0.00 0.00 31 R 8.07 3.78 0.00 1.92 2.00 0.00 3.02 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 32 L 7.91 3.88 0.00 1.69 1.46 1.05 1.35 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 33 F 8.13 4.57 0.00 3.06 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 34 K 7.92 4.29 0.00 1.79 1.84 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.77 7.81 35 S 7.83 4.50 0.00 3.76 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.08 4.63 0.00 2.88 2.66 0.00 5.83 0.00 0.00 0.00 0.00 6.85 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 4.54 0.00 2.15 2.12 0.00 3.82 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 2.10 2.00 0.00 38 E 8.27 4.11 0.00 2.32 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 2.27 2.59 0.00 39 T 7.89 3.77 4.48 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 0.91 0.00 0.00 40 L 8.02 3.80 0.00 1.19 1.69 -0.14 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.97 4.15 0.00 2.23 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 0.00 2.38 2.39 0.00 42 K 8.08 4.44 0.00 1.93 1.75 0.00 1.91 0.00 0.00 1.78 0.00 0.00 3.17 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.79 2.00 7.81 43 F 8.15 4.54 0.00 3.37 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 44 D 8.58 4.40 0.00 2.60 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 45 R 7.55 4.00 0.00 0.68 1.44 0.00 3.00 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.41 0.00 46 F 7.48 4.98 0.00 2.85 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 47 K 8.13 4.04 0.00 1.89 2.22 0.00 1.61 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.40 7.81 48 H 8.13 4.43 0.00 3.29 3.45 0.00 5.54 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 49 L 7.41 4.02 0.00 1.50 1.55 0.81 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.25 4.29 0.00 1.79 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.52 7.81 51 T 7.29 4.74 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 8.63 3.92 0.00 2.05 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 2.37 2.37 0.00 53 A 7.96 3.97 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 7.91 3.94 0.00 2.10 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 55 M 8.03 4.13 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.53 0.00 56 K 8.22 3.93 0.00 1.76 1.97 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 57 A 7.78 4.43 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 58 S 7.40 4.24 0.00 3.88 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.87 3.99 0.00 2.13 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 2.40 2.49 0.00 60 D 8.12 4.46 0.00 3.05 3.10 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 0.00 0.00 0.00 0.00 61 L 7.91 3.05 0.00 1.07 1.49 -0.64 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.94 3.88 0.00 1.95 1.95 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.48 7.81 63 K 8.22 4.03 0.00 2.07 1.91 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.50 1.61 7.81 64 Q 8.43 4.23 0.00 2.42 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.76 0.00 65 G 8.60 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.93 3.65 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 1.06 0.00 0.00 0.99 0.00 0.00 67 R 8.10 3.98 0.00 2.23 2.07 0.00 3.40 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 68 V 8.08 3.65 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 1.10 0.00 0.00 1.21 0.00 0.00 69 L 8.14 4.26 0.00 1.79 1.86 0.84 0.77 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 70 T 8.28 4.06 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 1.26 0.00 0.00 71 A 8.29 4.01 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 72 L 8.38 3.73 0.00 1.54 1.59 0.22 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.53 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 0.00 0.00 0.00 74 A 7.83 3.96 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 75 I 7.53 3.76 1.84 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 1.53 0.60 0.89 0.00 0.00 76 L 7.89 3.96 0.00 1.35 1.58 -0.17 0.78 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 77 K 7.81 3.96 0.00 1.63 1.78 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.52 7.81 78 K 7.82 3.93 0.00 1.85 1.77 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.56 1.74 7.81 79 K 8.09 2.00 0.00 1.19 0.74 0.00 1.39 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.34 0.98 7.81 80 G 7.63 3.91 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 0.00 0.00 0.00 81 H 7.25 4.65 0.00 3.18 3.21 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 82 H 7.15 5.50 0.00 3.29 3.45 0.00 5.66 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 83 E 8.51 3.99 0.00 2.09 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 2.42 2.48 0.00 84 A 7.90 4.04 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 85 E 8.14 4.10 0.00 2.25 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 2.39 2.47 0.00 86 L 8.22 4.31 0.00 1.72 1.69 0.81 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.74 3.92 0.00 1.99 1.89 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.70 7.81 88 P 0.00 4.32 0.00 2.30 2.34 0.00 3.87 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.05 0.00 89 L 7.57 4.01 0.00 2.03 1.91 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.52 4.17 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 91 Q 8.27 3.91 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 92 S 8.29 4.05 0.00 4.04 4.13 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 93 H 8.77 4.19 0.00 3.62 3.66 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 94 A 7.98 2.74 0.90 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 95 T 7.53 3.89 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 1.12 0.00 0.00 96 K 7.52 4.19 0.00 1.54 1.68 0.00 1.68 0.00 0.00 1.52 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.16 1.32 7.81 97 H 8.00 4.32 0.00 3.03 3.15 0.00 5.86 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 7.52 3.30 0.00 1.80 1.72 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.27 7.81 99 I 8.03 4.31 2.13 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 1.42 0.98 1.19 0.00 0.00 100 P 0.00 4.60 0.00 1.99 2.01 0.00 3.28 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.37 0.00 101 I 8.80 3.73 1.82 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 1.79 0.86 0.83 0.00 0.00 102 K 7.82 3.96 0.00 1.60 1.93 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.33 1.30 7.81 103 Y 8.01 4.21 0.00 3.26 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 0.00 104 L 7.93 4.22 0.00 1.86 1.81 0.73 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.24 4.03 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 106 F 8.05 4.60 0.00 3.20 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 8.21 3.86 2.01 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 1.49 1.55 1.07 0.00 0.00 108 S 8.29 4.19 0.00 4.20 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 0.00 109 E 8.63 4.05 0.00 2.33 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 0.00 2.43 2.57 0.00 110 A 8.22 4.00 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 0.00 111 I 8.09 3.63 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.68 1.04 0.00 0.00 112 I 7.97 3.80 2.13 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 1.71 0.93 1.14 0.00 0.00 113 H 8.56 4.10 0.00 3.35 3.46 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.95 3.56 2.01 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 0.97 0.00 0.00 0.93 0.00 0.00 115 L 7.90 3.72 0.00 0.41 0.49 0.76 0.66 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 0.00 116 H 8.09 4.36 0.00 3.44 3.62 0.00 5.95 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 7.77 4.15 0.00 3.84 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 0.00 118 R 7.96 4.03 0.00 1.65 1.55 0.00 3.14 0.00 0.00 2.99 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 119 H 8.16 5.05 0.00 3.21 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.78 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 4.37 0.00 2.17 2.16 0.00 3.83 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 1.98 1.94 0.00 121 G 8.13 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 0.00 0.00 0.00 122 N 8.38 5.10 0.00 2.78 2.91 0.00 0.00 6.66 6.83 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 0.00 123 F 7.98 4.91 0.00 2.95 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 0.00 124 G 7.69 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 0.00 0.00 0.00 125 A 8.43 3.90 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 0.00 126 D 7.96 4.18 0.00 2.64 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 0.00 127 A 7.73 3.90 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 0.00 128 Q 7.81 2.93 0.00 1.14 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 129 G 8.13 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 3.82 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 0.00 131 M 8.14 3.99 0.00 2.42 2.41 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.93 0.00 132 N 8.56 4.29 0.00 2.85 2.93 0.00 0.00 6.88 6.43 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 0.00 133 K 8.18 3.83 0.00 1.89 1.71 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.37 7.81 134 A 7.97 3.82 1.22 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 0.00 0.00 135 L 8.26 4.12 0.00 1.76 1.83 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.65 3.98 0.00 2.18 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 2.34 2.65 0.00 137 L 8.15 3.96 0.00 1.79 1.95 1.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.39 4.14 0.00 3.12 3.30 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 0.00 139 R 8.30 3.42 0.00 1.95 1.83 0.00 3.18 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.99 0.00 140 K 8.35 3.83 0.00 1.81 1.98 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.45 7.81 141 D 8.26 4.33 0.00 2.68 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 0.00 142 I 7.63 3.36 1.27 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.36 -0.01 0.00 0.00 143 A 7.95 3.77 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 7.90 3.93 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 0.00 145 K 8.07 3.96 0.00 1.89 1.94 0.00 1.58 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.60 7.81 146 Y 8.51 4.47 0.00 3.15 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.23 3.94 0.00 1.86 1.99 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 8.00 4.05 0.00 2.22 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 2.54 0.00 149 L 7.89 4.34 0.00 1.86 1.73 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.96 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 0.00 151 Y 7.82 4.75 0.00 2.59 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 0.00 152 Q 8.43 3.78 0.00 1.90 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.60 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 153 G 6.23 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00