NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3925 8.3044 120.3493 54.8920 33.4250 174.9771 2 I 3.6953 8.3013 126.0993 60.8892 38.8894 173.3122 3 Q 4.8807 8.3220 124.5233 54.1918 33.6704 173.8399 4 S 5.2044 8.5387 115.7095 56.9538 66.3855 173.1120 5 Q 4.7865 8.9506 120.8072 54.6999 30.0298 175.7402 6 I 4.3528 8.4500 112.6865 60.1598 39.4260 174.7891 7 N 4.8982 7.8487 120.2317 51.0695 40.7341 174.8458 8 R 3.9746 8.5909 123.4598 59.2080 29.3967 178.3685 9 N 4.4107 8.9417 117.8660 55.8224 38.5221 177.3352 10 I 3.6816 7.4292 121.4444 64.6188 37.2433 178.6794 11 R 3.9866 7.8925 118.2848 59.1205 30.0644 179.0251 12 L 4.0521 8.0963 118.9850 57.7720 41.6286 179.1163 13 D 4.3833 8.5120 119.3832 57.2325 40.6654 178.6588 14 L 3.9104 7.8899 120.1339 57.9955 42.0368 178.5956 15 A 4.2236 8.2757 122.5147 54.7525 18.2558 179.3795 16 D 4.2766 8.0610 116.5334 57.4380 40.8943 178.8222 17 A 3.9957 7.9504 121.1706 55.2362 18.2979 179.6947 18 I 3.6487 8.1466 118.6157 64.6620 37.2213 178.6887 19 L 4.0164 8.2258 119.9562 57.5397 41.2894 179.4633 20 L 3.8996 7.8409 120.4027 58.0658 42.0594 178.8594 21 S 4.0191 7.9967 113.0710 61.3481 62.2921 175.6580 22 K 3.7010 8.2992 122.4520 59.7583 31.7648 178.3920 23 A 3.9116 7.8319 120.5259 55.1669 18.1383 179.7326 24 K 3.9316 8.1320 116.1141 59.1397 32.2177 178.7892 25 K 4.2306 8.2982 116.0929 55.1799 32.8315 175.8422 26 D 4.2997 7.7103 117.9835 55.0618 40.1312 173.1835 27 L 4.6765 7.8436 116.7069 53.5793 43.6208 177.5985 28 S 4.5232 8.8784 116.9533 57.1397 66.0991 175.6180 29 F 4.1822 8.3157 121.1027 60.4590 38.8220 177.4193 30 A 4.0445 8.2910 120.1546 55.6644 17.8230 179.5050 31 E 4.2625 7.9781 116.4412 59.1490 29.6403 179.2928 32 I 3.8302 7.7082 118.5581 64.3108 37.4401 177.9460 33 A 4.2712 8.2192 121.2363 53.1704 18.4658 177.3251 34 D 4.4516 7.4950 117.5290 56.5962 41.2658 178.0104 35 G 4.0337 9.1221 112.3653 45.4481 0.0000 173.9232 36 T 4.1128 7.7334 108.9030 61.8421 69.4784 176.3031 37 G 3.9633 8.4859 109.2453 44.9561 0.0000 172.8122 38 L 4.6490 7.3704 118.8469 52.0942 44.2516 176.9068 39 A 4.1209 8.4491 124.0380 52.2473 20.2096 178.1686 40 E 3.9244 8.9732 122.8711 59.9277 29.6703 179.9328 41 A 3.9832 8.0554 119.7395 55.1471 18.4119 179.3814 42 F 3.9406 8.0409 118.4976 61.4310 39.6953 177.4710 43 V 3.6670 8.2474 118.1983 66.2590 31.2994 178.0542 44 T 3.7110 8.3869 115.6023 66.5913 68.1942 176.2882 45 A 3.8114 7.8465 122.3148 55.0001 18.1972 179.4205 46 A 4.0399 7.5719 120.3013 54.8707 18.5512 179.5367 47 L 3.9316 7.7828 117.2858 58.0307 41.5089 179.0037 48 L 4.5769 7.5929 115.6951 54.3925 41.6536 177.4831 49 G 3.8834 8.1889 107.1798 45.8031 0.0000 174.4100 50 Q 4.5008 8.0168 115.9375 55.4272 29.8624 175.0758 51 Q 4.3904 7.4084 115.8857 54.6053 32.8739 172.4779 52 A 4.9174 8.2481 120.8060 50.4158 21.1351 176.3368 53 L 4.6894 8.5596 121.6476 52.9336 43.7660 175.0422 54 P 4.5197 0.0000 0.0000 62.5231 32.4986 177.1536 55 A 3.9908 8.9077 123.4672 55.8858 18.2690 180.0618 56 D 4.2985 8.0685 116.4110 57.3617 40.9212 178.6540 57 A 4.0177 8.0319 120.6717 55.1140 18.4700 179.3144 58 A 3.9559 8.2365 119.3283 55.4132 18.4294 180.1655 59 R 3.9180 8.0343 116.6220 59.1457 30.1577 178.8187 60 L 3.9419 7.8744 120.0019 58.3952 42.2862 179.3871 61 V 3.7759 8.2230 112.5764 64.3256 31.5040 178.8268 62 G 3.6584 8.2529 105.2311 47.7981 0.0000 175.6008 63 A 4.0180 8.1367 123.3165 54.8367 18.2058 179.7419 64 K 3.9042 7.9251 115.8411 58.9122 32.1978 178.5144 65 L 4.4882 7.5183 115.1161 53.0040 42.9174 175.6992 66 D 4.3323 7.5227 117.6610 55.0887 40.0350 173.4397 67 L 4.4187 8.1696 117.9391 53.7878 43.3275 177.8211 68 D 4.7054 8.2606 122.0777 52.8327 41.8770 177.3350 69 E 3.9962 8.5425 118.3428 59.5853 29.3026 179.2717 70 D 4.3519 8.0219 118.5633 57.3970 41.0456 178.8881 71 S 4.1227 8.7378 116.0661 61.6724 62.6450 176.7326 72 I 3.7397 7.6646 121.4004 64.2099 37.0831 177.9792 73 L 4.2409 8.2119 121.3864 58.1941 42.0405 178.9224 74 L 4.0218 8.2573 119.2746 57.9142 41.5401 179.5296 75 L 4.1109 7.9465 118.1973 57.2648 41.3048 178.8973 76 Q 4.6121 7.6983 117.9846 56.2678 29.2551 176.2314 77 M 4.4920 7.0821 119.5484 55.0876 33.0801 176.3347 78 I 4.1006 8.7468 124.1898 60.5898 38.1976 174.3026 79 P 4.6700 0.0000 0.0000 62.3291 32.7883 176.3519 80 L 4.3298 8.3008 123.2618 54.0518 41.3818 176.4122 81 R 4.1174 8.2275 124.7111 55.7288 30.8486 175.1146 82 G 3.0395 8.1486 108.3610 44.7523 0.0000 173.0648 83 C 4.2813 8.1379 123.1936 59.2344 30.6407 174.6444 84 I 3.9710 7.5179 121.4451 60.5558 37.5094 175.0010 85 D 4.4582 8.8569 125.4536 57.1426 41.5966 176.6254 86 D 4.6453 7.3805 115.0770 53.2655 41.5989 174.1205 87 R 4.2528 8.1894 126.8146 56.5213 29.4325 177.2158 88 I 4.0616 7.1747 116.4626 58.2990 39.1916 173.8377 89 P 4.4452 0.0000 0.0000 62.8533 31.8539 176.4358 90 T 4.2039 8.3258 111.2816 63.4011 70.0475 175.6339 91 D 4.4653 7.9718 122.1630 53.3317 42.6165 174.6249 92 P 4.4236 0.0000 0.0000 66.2316 31.1861 178.8582 93 T 3.9813 7.9825 112.9181 67.0294 68.7967 176.2499 94 M 4.4638 8.2691 120.4537 58.4959 32.0252 177.9716 95 Y 4.0170 8.7196 120.1272 60.9453 38.9081 178.3455 96 R 3.9396 8.0847 118.5489 59.5082 29.9377 179.0124 97 F 4.0563 7.9767 116.8528 60.6258 38.9355 177.0600 98 Y 3.9547 7.9392 118.7149 60.6514 38.6053 177.5877 99 E 3.7237 8.2225 120.5551 59.3005 29.6466 178.5178 100 M 4.1142 8.0262 118.8713 58.5038 31.9439 178.7575 101 L 3.9848 7.5273 118.9481 57.8743 41.5589 179.5830 102 Q 3.8797 7.5213 116.9311 58.2867 28.5708 178.5232 103 V 3.7064 7.5990 118.4354 64.9569 32.2450 176.7852 104 Y 4.6203 8.1461 114.1534 57.3678 38.4946 177.6801 105 G 3.7262 8.3350 109.3307 48.3136 0.0000 176.0865 106 T 3.9847 7.8374 112.0059 64.5281 68.7514 176.6846 107 T 3.9178 7.8882 118.2590 66.4283 68.5177 176.4389 108 L 4.0042 8.4903 121.3937 57.5423 41.6576 179.3473 109 K 3.7812 8.0382 119.2467 59.5611 32.1250 178.6549 110 A 4.0447 8.1467 120.8801 55.2984 18.2618 179.6747 111 L 3.9786 8.2880 117.8508 57.6512 41.6114 179.7483 112 V 3.8402 8.0755 118.5291 66.5515 31.4788 177.8884 113 H 4.9845 8.1419 117.1323 58.2950 28.3113 177.2875 114 E 3.9083 8.1460 120.1575 59.5052 29.5825 178.8251 115 K 3.9122 8.1732 117.0994 58.1217 32.1832 177.5138 116 F 4.1401 8.6160 115.3364 60.0552 41.1027 174.5543 117 G 4.0546 7.8396 105.6269 43.7659 0.0000 171.6997 118 D 4.7479 8.7444 120.1577 54.0755 42.5702 175.8462 119 G 4.0307 7.9600 113.0173 45.3431 0.0000 172.2800 120 I 4.7924 8.1797 115.7128 59.1516 41.7811 174.9956 121 I 4.4486 8.2900 124.2309 60.2058 37.6311 176.2966 122 G 3.8047 9.0501 115.5000 46.2971 0.0000 173.1846 123 A 4.0618 8.5230 123.3616 51.6584 19.9396 177.2452 124 I 4.2385 7.5468 115.5152 63.2298 38.8729 176.9350 125 N 4.7934 7.7721 122.6979 52.2572 37.4545 172.1545 126 F 5.4890 8.0734 122.6802 56.5957 42.8771 172.4585 127 K 4.5880 8.1748 123.3408 55.2688 36.3202 174.6058 128 L 5.6959 8.2449 119.8329 53.3246 43.9481 174.9485 129 D 4.7650 8.2977 117.4682 52.2266 42.9918 173.8196 130 V 4.9012 8.3293 119.4594 61.1678 33.8394 174.7409 131 K 4.7397 8.9611 126.5579 54.4441 35.8967 174.9859 132 K 4.9370 8.6327 124.5871 55.4818 33.6633 175.8754 133 V 4.7015 8.7447 118.8729 59.1955 36.2838 174.7367 134 A 4.4015 8.5599 124.4005 51.9342 19.4699 176.6905 135 D 4.5875 9.1786 122.0831 52.3634 41.7265 175.6962 136 P 4.4491 0.0000 0.0000 64.9610 31.4881 176.6955 137 E 4.3997 8.4098 116.6035 55.8051 29.6200 176.4328 138 G 3.8943 8.5309 106.6544 46.0356 0.0000 175.9235 139 G 3.9301 8.5816 108.6541 44.4703 0.0000 172.0287 140 E 5.1796 8.4865 116.3546 54.6079 33.2071 175.7838 141 R 4.7864 8.8496 120.7289 54.4142 33.6198 174.5768 142 A 5.0216 8.5386 123.7115 50.4856 21.1279 176.5162 143 V 4.1745 8.8274 123.4366 61.4333 33.2289 174.4189 144 I 4.8721 8.3654 129.4369 60.2661 38.7293 175.3704 145 T 4.5581 8.7248 124.2619 61.7732 70.7640 173.2599 146 L 4.8046 8.5677 126.7155 53.0615 43.6953 175.6361 147 D 4.6591 8.5893 123.8112 52.3839 43.5235 174.3005 148 G 4.6741 8.5424 112.1078 43.9159 0.0000 170.7624 149 K 4.3596 8.8338 124.1408 56.0693 33.6488 175.2692 150 Y 4.6765 8.5638 128.3443 57.3177 39.8426 174.2697 151 L 4.4272 8.3875 127.3946 51.9758 43.9941 174.2072 152 P 4.6002 0.0000 0.0000 62.7998 32.6295 175.8913 153 T 4.5144 8.5648 119.2872 62.2550 69.8606 174.2223 154 K 4.7903 8.5086 125.4181 53.4213 35.3440 174.4640 155 P 4.3722 0.0000 0.0000 62.8505 31.9377 176.6803 156 F 4.5447 7.7643 114.6261 57.1135 37.9692 174.7215 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 4.39 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 I 8.30 3.70 1.88 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 1.42 1.05 0.91 0.00 0.00 3 Q 8.32 4.88 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.50 2.26 0.00 4 S 8.54 5.20 0.00 3.80 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 5 Q 8.95 4.79 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 6 I 8.45 4.35 1.87 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 1.29 0.67 0.91 0.00 0.00 7 N 7.85 4.90 0.00 2.76 2.68 0.00 0.00 6.97 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.59 3.97 0.00 2.06 2.28 0.00 3.11 0.00 0.00 3.32 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 9 N 8.94 4.41 0.00 2.84 2.90 0.00 0.00 6.84 6.85 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 10 I 7.43 3.68 1.87 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 1.52 1.26 0.91 0.00 0.00 11 R 7.89 3.99 0.00 1.80 1.96 0.00 3.28 0.00 0.00 3.51 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 12 L 8.10 4.05 0.00 1.69 1.70 0.91 0.85 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 13 D 8.51 4.38 0.00 2.90 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 14 L 7.89 3.91 0.00 1.79 1.86 0.93 1.09 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 15 A 8.28 4.22 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.06 4.28 0.00 2.95 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 17 A 7.95 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 18 I 8.15 3.65 2.07 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 1.54 0.81 0.97 0.00 0.00 19 L 8.23 4.02 0.00 1.86 1.76 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.84 3.90 0.00 1.78 1.84 0.92 0.88 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 21 S 8.00 4.02 0.00 3.94 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 22 K 8.30 3.70 0.00 1.80 1.94 0.00 1.17 0.00 0.00 1.21 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.25 7.81 23 A 7.83 3.91 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 24 K 8.13 3.93 0.00 1.94 1.88 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.47 7.81 25 K 8.30 4.23 0.00 1.69 1.81 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.53 7.81 26 D 7.71 4.30 0.00 2.76 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.84 4.68 0.00 1.54 1.47 0.88 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.88 4.52 0.00 3.99 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.32 4.18 0.00 3.19 3.11 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 0.00 0.00 0.00 0.00 30 A 8.29 4.04 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 31 E 7.98 4.26 0.00 2.11 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 0.00 2.34 2.20 0.00 32 I 7.71 3.83 2.05 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.52 0.97 0.00 0.00 33 A 8.22 4.27 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 34 D 7.50 4.45 0.00 3.03 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 9.12 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 0.00 0.00 0.00 36 T 7.73 4.11 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 1.25 0.00 0.00 37 G 8.49 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 38 L 7.37 4.65 0.00 1.72 1.64 1.01 0.60 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 39 A 8.45 4.12 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 E 8.97 3.92 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 2.48 2.46 0.00 41 A 8.06 3.98 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 42 F 8.04 3.94 0.00 3.18 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 43 V 8.25 3.67 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.11 0.00 0.00 44 T 8.39 3.71 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 0.27 0.00 0.00 45 A 7.85 3.81 1.18 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 46 A 7.57 4.04 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 47 L 7.78 3.93 0.00 1.93 1.85 1.16 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.59 4.58 0.00 1.66 1.62 0.72 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.19 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.02 4.50 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.35 6.61 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 51 Q 7.41 4.39 0.00 1.42 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.88 0.00 0.00 0.00 0.00 0.00 1.99 1.33 0.00 52 A 8.25 4.92 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 53 L 8.56 4.69 0.00 1.67 1.65 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.52 0.00 2.09 1.99 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 55 A 8.91 3.99 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 56 D 8.07 4.30 0.00 2.71 2.73 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 57 A 8.03 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.24 3.96 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 59 R 8.03 3.92 0.00 2.04 1.99 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 60 L 7.87 3.94 0.00 1.98 1.82 0.93 1.02 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 61 V 8.22 3.78 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 0.92 0.00 0.00 1.01 0.00 0.00 62 G 8.25 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.14 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.93 3.90 0.00 1.93 1.89 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.66 7.81 65 L 7.52 4.49 0.00 1.71 1.66 0.94 0.96 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 66 D 7.52 4.33 0.00 2.69 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.17 4.42 0.00 1.63 1.58 0.93 1.06 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 68 D 8.26 4.71 0.00 2.95 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 69 E 8.54 4.00 0.00 2.00 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 2.40 2.34 0.00 70 D 8.02 4.35 0.00 2.72 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.74 4.12 0.00 4.04 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 72 I 7.66 3.74 2.00 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 1.53 0.62 0.94 0.00 0.00 73 L 8.21 4.24 0.00 1.84 1.87 0.93 0.76 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 74 L 8.26 4.02 0.00 1.89 1.71 0.92 0.69 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 75 L 7.95 4.11 0.00 1.90 1.73 0.94 0.79 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 76 Q 7.70 4.61 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.89 0.00 0.00 0.00 0.00 0.00 2.56 2.38 0.00 77 M 7.08 4.49 0.00 1.94 2.13 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 2.53 0.00 78 I 8.75 4.10 1.87 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 1.47 0.96 0.92 0.00 0.00 79 P 0.00 4.67 0.00 2.11 2.03 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 80 L 8.30 4.33 0.00 1.81 1.64 0.91 0.93 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 81 R 8.23 4.12 0.00 1.81 1.88 0.00 3.23 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 82 G 8.15 3.04 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 0.00 0.00 0.00 0.00 0.00 0.00 83 C 8.14 4.28 0.00 3.05 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 84 I 7.52 3.97 1.85 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 1.29 0.52 0.88 0.00 0.00 85 D 8.86 4.46 0.00 2.63 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 86 D 7.38 4.65 0.00 2.60 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.19 4.25 0.00 1.98 2.05 0.00 3.20 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 88 I 7.17 4.06 1.75 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.72 0.57 0.00 0.00 89 P 0.00 4.45 0.00 2.17 2.03 0.00 3.40 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 90 T 8.33 4.20 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 91 D 7.97 4.47 0.00 2.85 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.42 0.00 2.24 2.14 0.00 3.69 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 93 T 7.98 3.98 4.49 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 0.00 0.00 0.00 1.35 0.00 0.00 94 M 8.27 4.46 0.00 2.12 2.31 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 2.69 2.58 0.00 95 Y 8.72 4.02 0.00 3.20 3.11 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 0.00 0.00 0.00 0.00 96 R 8.08 3.94 0.00 1.54 1.72 0.00 3.35 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.78 0.00 97 F 7.98 4.06 0.00 3.33 3.11 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 0.00 0.00 0.00 0.00 98 Y 7.94 3.95 0.00 2.96 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 99 E 8.22 3.72 0.00 1.86 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 2.30 2.38 0.00 100 M 8.03 4.11 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.56 0.00 101 L 7.53 3.98 0.00 1.46 1.55 0.90 0.91 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 0.00 102 Q 7.52 3.88 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.88 0.00 0.00 0.00 0.00 0.00 1.71 2.39 0.00 103 V 7.60 3.71 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 0.24 0.00 0.00 0.86 0.00 0.00 104 Y 8.15 4.62 0.00 3.23 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 0.00 105 G 8.34 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 0.00 106 T 7.84 3.98 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 1.20 0.00 0.00 107 T 7.89 3.92 4.59 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 1.35 0.00 0.00 108 L 8.49 4.00 0.00 1.84 1.74 0.96 0.96 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 0.00 109 K 8.04 3.78 0.00 1.85 2.00 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.48 7.81 110 A 8.15 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.29 3.98 0.00 1.73 1.76 0.95 1.08 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 0.00 112 V 8.08 3.84 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 1.09 0.00 0.00 1.01 0.00 0.00 113 H 8.14 4.98 0.00 3.40 3.37 0.00 5.69 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 0.00 114 E 8.15 3.91 0.00 2.04 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 0.00 2.29 2.34 0.00 115 K 8.17 3.91 0.00 1.46 1.10 0.00 1.72 0.00 0.00 1.58 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.47 7.81 116 F 8.62 4.14 0.00 2.40 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 0.00 117 G 7.84 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 0.00 0.00 0.00 118 D 8.74 4.75 0.00 2.75 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 0.00 119 G 7.96 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 0.00 0.00 0.00 120 I 8.18 4.79 1.85 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 1.17 0.92 0.92 0.00 0.00 121 I 8.29 4.45 1.83 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.65 0.92 0.00 0.00 122 G 9.05 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 0.00 123 A 8.52 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 124 I 7.55 4.24 1.88 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 1.27 0.92 0.93 0.00 0.00 125 N 7.77 4.79 0.00 2.80 2.75 0.00 0.00 6.47 7.71 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 0.00 126 F 8.07 5.49 0.00 3.11 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 0.00 127 K 8.17 4.59 0.00 1.64 1.70 0.00 1.22 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.13 1.15 7.81 128 L 8.24 5.70 0.00 1.65 1.41 0.87 0.88 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 0.00 129 D 8.30 4.76 0.00 2.67 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 0.00 130 V 8.33 4.90 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 0.89 0.00 0.00 0.92 0.00 0.00 131 K 8.96 4.74 0.00 1.72 1.64 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.45 7.81 132 K 8.63 4.94 0.00 1.78 1.70 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.47 7.81 133 V 8.74 4.70 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 0.66 0.00 0.00 0.97 0.00 0.00 134 A 8.56 4.40 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 D 9.18 4.59 0.00 2.67 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 0.00 136 P 0.00 4.45 0.00 2.08 2.11 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 137 E 8.41 4.40 0.00 2.05 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 2.27 2.23 0.00 138 G 8.53 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 0.00 0.00 0.00 139 G 8.58 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 0.00 140 E 8.49 5.18 0.00 1.82 1.90 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 2.20 2.31 0.00 141 R 8.85 4.79 0.00 1.74 1.80 0.00 3.10 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 142 A 8.54 5.02 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 0.00 143 V 8.83 4.17 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 0.96 0.00 0.00 0.94 0.00 0.00 144 I 8.37 4.87 2.05 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.69 0.98 0.00 0.00 145 T 8.72 4.56 4.39 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 1.18 0.00 0.00 146 L 8.57 4.80 0.00 1.63 1.94 1.04 1.21 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 0.00 147 D 8.59 4.66 0.00 2.58 2.39 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 0.00 148 G 8.54 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.83 4.36 0.00 1.89 1.69 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.44 7.81 150 Y 8.56 4.68 0.00 2.47 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 0.00 151 L 8.39 4.43 0.00 1.39 1.37 0.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.60 0.00 2.06 1.99 0.00 3.48 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.93 0.00 153 T 8.56 4.51 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 1.29 0.00 0.00 154 K 8.51 4.79 0.00 1.76 1.73 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.44 7.81 155 P 0.00 4.37 0.00 2.02 1.92 0.00 3.64 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 2.02 2.06 0.00 156 F 7.76 4.54 0.00 3.06 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00