NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2237 8.1633 120.2783 54.7208 33.3022 174.2600 2 K 4.0388 8.4980 126.2006 56.1264 32.5195 175.6911 3 G 3.9707 8.5780 113.6013 44.6983 0.0000 172.0986 4 D 4.5824 8.4507 119.5375 54.3120 41.9741 177.1208 5 T 3.8710 8.8588 122.7633 66.8250 68.5210 176.6771 6 K 3.8472 8.1642 120.9857 59.1604 32.1912 178.7877 7 V 3.9004 8.6919 119.0311 66.2190 31.4068 177.9382 8 I 3.7255 7.7585 119.3095 64.6909 36.8910 178.1696 9 N 4.2981 8.1910 117.1154 56.3276 38.2960 177.1204 10 Y 4.0712 8.0904 118.1776 61.1197 38.0577 178.4333 11 L 3.9219 8.7004 120.2279 58.1541 41.7055 179.5295 12 N 4.3777 8.5394 116.5902 55.9754 38.4034 177.4976 13 K 3.8635 8.2460 121.4738 59.3605 32.3406 178.8422 14 L 3.8010 8.1666 119.6345 57.6735 41.4111 179.0258 15 L 3.9488 7.9033 120.5734 58.2922 41.8418 179.2634 16 G 3.6065 8.1303 105.5271 47.8411 0.0000 175.3757 17 N 4.3412 8.0413 118.7768 56.1930 38.5836 177.3051 18 E 4.0840 8.2978 119.8865 59.6072 29.1747 179.5151 19 L 4.2342 8.2774 118.7548 57.3191 41.5395 180.0179 20 V 3.6500 7.7166 112.4372 64.1766 31.4388 178.0842 21 A 3.8519 8.1240 120.5861 55.2672 18.1978 179.5846 22 I 3.7590 8.2084 118.4795 64.8321 37.2147 178.4967 23 N 4.4031 7.8165 115.8385 56.4310 38.4525 177.4172 24 Q 3.8530 8.3955 121.3625 59.2535 29.0926 177.9462 25 Y 4.3332 8.2451 118.0339 60.9328 37.9664 177.7443 26 F 3.7801 8.4630 121.6379 61.1150 39.4385 176.8798 27 L 3.9085 8.2244 119.8372 58.4963 41.8934 178.3203 28 H 3.7540 8.1048 115.8392 58.8928 28.6039 177.0632 29 A 4.1360 8.3796 122.5188 55.8503 18.1137 180.0047 30 R 3.7727 7.7100 115.3315 58.6704 30.1012 179.3388 31 M 3.3976 7.8368 119.4599 58.1603 31.8854 178.4749 32 F 4.6202 7.5966 118.2216 60.5505 39.0435 177.7058 33 K 3.9357 8.3228 119.3290 59.4846 31.8236 177.9902 34 N 4.2155 7.8626 116.0799 56.8091 38.9105 176.2716 35 W 4.7591 7.8267 116.5311 57.4728 29.2905 177.2880 36 G 4.0240 8.3381 107.9918 45.8258 0.0000 175.2186 37 L 4.4800 8.0440 121.8924 53.1242 38.0885 177.0829 38 K 3.8587 7.9678 122.7118 59.7926 32.5669 177.5843 39 R 3.9235 8.3153 119.1423 59.2913 29.9880 178.4561 40 L 4.1357 7.7724 118.3415 57.3114 41.5810 178.7749 41 N 4.4383 8.1098 116.9222 56.7526 38.9657 176.5390 42 D 4.3160 7.9984 120.2609 57.4187 40.9731 179.1150 43 V 3.3301 7.6308 118.3455 66.0830 31.4922 177.9516 44 E 3.7440 8.3214 118.4273 59.2826 29.2654 178.6077 45 Y 3.9048 8.1357 119.7186 61.2089 38.8700 178.1628 46 H 4.2087 8.2530 116.4382 58.3347 28.6580 177.5915 47 E 3.6872 7.7990 120.8983 58.6394 29.1755 178.7542 48 S 4.0967 7.9999 113.7884 61.5940 62.3626 176.2623 49 I 3.5540 7.2642 122.1399 64.4553 36.8317 177.8333 50 D 4.2790 7.8135 119.5313 57.7909 40.6567 179.1749 51 E 4.1969 8.3336 118.6294 59.4675 29.3752 179.3806 52 M 4.0648 8.0583 119.0421 58.2942 31.9920 178.8203 53 K 3.9523 8.1263 118.7589 59.6575 32.1843 179.1041 54 H 4.0816 8.2097 116.1897 58.8049 28.6182 177.4947 55 A 4.2524 8.2879 122.6996 55.4272 18.1418 178.9752 56 D 4.3118 8.2359 116.3551 57.7332 41.2379 178.8134 57 R 3.8521 7.8217 118.3173 59.4358 30.0223 178.5767 58 Y 4.3241 7.8083 116.4259 61.2809 37.8988 178.8900 59 I 3.7846 8.2656 120.9649 64.6160 37.2122 178.4652 60 E 4.0694 8.5322 119.5683 59.0476 29.2243 179.4842 61 R 4.0007 8.1123 118.9570 59.5428 30.2160 178.2626 62 I 3.7412 8.4344 119.9535 64.7481 37.1831 178.3318 63 L 4.0249 8.1363 119.4180 57.7225 41.2027 179.4543 64 F 4.3725 8.1709 119.6874 61.2879 39.7428 176.6735 65 L 4.2905 8.3949 117.2453 54.0003 40.9663 177.1240 66 E 3.6758 7.9874 117.4902 57.4750 27.2449 174.4576 67 G 3.9816 8.1760 108.5116 43.9738 0.0000 173.5146 68 L 4.5251 8.0395 119.1605 52.0461 42.0581 175.1710 69 P 4.3828 0.0000 0.0000 62.5686 31.7665 175.9461 70 N 4.7159 9.5357 122.1504 52.3983 38.7634 173.8913 71 L 4.5948 8.2935 124.2196 54.5511 42.3945 177.5949 72 Q 4.1082 8.5937 122.1916 58.2975 29.2972 175.9582 73 D 4.7006 8.0269 116.6467 52.8258 42.0345 175.2953 74 L 4.5838 8.2578 125.1044 52.7320 44.0997 176.6005 75 G 3.8048 8.4616 115.4206 44.8588 0.0000 171.7339 76 K 4.1064 8.3154 120.7048 55.7218 32.4509 176.6278 77 L 4.0908 8.3856 126.8792 54.3847 42.2667 176.0711 78 N 4.8214 8.6664 121.7036 51.9782 39.8621 174.2540 79 I 3.8791 8.5047 126.6325 63.9883 37.7645 177.9054 80 G 4.3535 8.1555 103.1333 45.4716 0.0000 172.8780 81 E 4.7241 8.7629 117.5721 56.0561 31.1493 176.0709 82 D 4.9142 7.6706 118.1482 50.3347 43.9878 175.8738 83 V 4.0355 8.5670 119.3785 66.6011 31.3369 177.6254 84 E 3.8307 8.1697 117.9476 59.4503 29.4490 178.0605 85 E 4.0177 8.5015 119.5026 59.5396 29.5770 178.6722 86 M 4.1246 8.2791 116.9579 58.1087 31.4958 178.5243 87 L 4.1556 8.5242 120.5464 57.7088 41.8179 179.5196 88 R 3.8905 8.5248 119.0212 59.3023 30.0343 178.5831 89 S 4.1289 8.1347 113.2629 61.2544 62.3967 175.7344 90 D 4.2330 8.1834 121.7110 57.2500 40.5211 178.4197 91 L 4.0093 8.2671 120.6856 58.3666 42.0397 178.9945 92 A 3.9913 8.0590 120.5430 54.9233 18.2563 179.4136 93 L 3.8899 7.8025 118.8859 58.2475 42.0748 179.1138 94 E 4.0442 8.3869 118.5594 59.5022 29.6166 179.1749 95 L 4.0159 8.1960 119.2075 58.1367 41.7211 179.4737 96 D 4.5187 8.5017 118.9829 57.2307 40.6384 179.0939 97 G 3.6309 8.3388 106.2146 47.6213 0.0000 175.7117 98 A 4.0217 8.3736 123.4421 54.6686 18.4903 179.3744 99 K 3.8032 7.9577 117.7798 60.0193 32.3176 178.5395 100 N 4.3781 8.1363 116.3596 56.3962 38.4819 177.3713 101 L 3.9975 8.2161 120.3591 57.9718 41.6302 179.7075 102 R 3.9215 8.3796 118.3442 59.2383 30.0771 178.8167 103 E 3.8652 8.0859 118.3215 59.2451 29.6795 178.7432 104 A 2.8449 7.7524 120.7586 54.7420 18.3683 179.7221 105 I 3.7537 7.8643 118.5756 64.4146 36.9473 178.8820 106 G 3.5999 7.5919 105.5282 47.8586 0.0000 174.8966 107 Y 4.0919 7.7367 121.1878 60.2599 38.9027 177.2139 108 A 3.7961 8.3061 122.2188 55.4738 18.5243 179.0931 109 D 4.0783 7.9152 116.2991 57.2625 41.0746 178.3011 110 S 4.1957 7.4755 113.1074 59.9009 63.3795 175.7009 111 V 3.9684 6.8436 114.0017 60.7456 31.5774 175.5480 112 H 2.7875 6.9610 113.7925 56.7138 26.8978 176.4449 113 D 4.5236 7.3444 121.2623 53.4871 37.7938 176.1973 114 Y 4.2694 7.4417 121.1440 60.6376 38.3941 178.0559 115 V 3.8109 7.8498 113.1420 64.0972 31.8447 178.3875 116 S 4.1634 8.3350 115.0334 61.5848 62.6060 176.6332 117 R 3.8792 8.1654 121.2778 59.5037 29.8386 177.9283 118 D 4.3123 8.4787 118.0624 57.7019 41.3444 177.7395 119 M 3.9718 8.2383 118.7323 59.1263 32.0585 178.1470 120 M 4.1280 8.2040 118.7531 58.3745 32.1382 178.7694 121 I 3.7208 8.1335 120.3801 64.3041 37.3607 178.3016 122 E 3.9555 8.1615 119.4220 59.4715 29.2992 179.4259 123 I 3.5513 7.5619 119.5413 64.2359 37.0639 178.1361 124 L 3.9408 8.2052 121.4695 58.2416 42.0069 178.8715 125 R 3.8877 8.1207 118.5346 59.7285 29.9654 178.2429 126 D 4.3589 7.9545 118.2289 57.3224 40.7401 178.6236 127 E 4.0004 8.2601 119.3013 59.2955 29.3752 178.9758 128 E 4.1176 8.6806 120.0216 59.0180 29.7001 178.9949 129 G 3.6988 7.9928 105.4226 48.2442 0.0000 175.2676 130 H 4.4373 8.1943 118.8926 58.6908 28.6780 177.8711 131 I 3.8155 8.3432 121.9670 64.4970 36.9514 177.7870 132 D 4.3847 8.4727 119.0194 57.2120 41.0269 178.2927 133 W 4.1169 8.4429 128.6231 60.4331 30.7195 177.8538 134 L 3.7548 8.4166 119.0254 57.9230 41.1513 179.3487 135 E 3.9092 8.4851 118.6770 59.7065 29.3023 179.6618 136 T 3.7877 7.9311 115.5956 66.5568 68.5387 176.4349 137 E 3.7534 7.6236 120.3117 59.4710 29.3839 179.3434 138 L 3.7746 7.8012 118.9477 58.0494 41.5672 179.5253 139 D 4.3860 8.1047 118.5945 57.2340 40.6538 178.6862 140 L 3.9627 8.1526 119.8896 57.8432 41.5819 179.5199 141 I 3.4210 7.4309 119.6541 64.4715 36.7328 178.5394 142 Q 3.9338 7.3514 116.1861 58.8195 28.6522 178.5422 143 K 4.1305 8.1760 118.9992 59.0605 32.2657 178.5261 144 M 4.3813 8.3970 114.8580 54.1139 32.4398 177.4029 145 G 4.0850 7.5755 104.9851 45.7976 0.0000 174.4094 146 L 3.9671 8.3628 120.6550 58.0057 42.1587 179.2072 147 Q 3.9930 8.0348 117.4523 59.2789 28.7936 178.4549 148 N 4.3459 8.1843 116.8106 56.4180 38.3543 176.6433 149 Y 3.9339 7.9042 119.9545 60.6747 39.1391 177.8695 150 L 4.0947 8.3319 120.1587 57.9587 41.6203 179.2861 151 Q 3.9055 8.1957 119.1413 59.0601 28.7323 177.8581 152 A 4.0932 7.6466 119.9071 53.6309 18.6135 178.2506 153 Q 4.3205 7.8770 116.0030 55.6248 29.1773 177.5863 154 I 3.8868 7.3647 121.9082 63.3777 37.4277 176.6227 155 R 4.6514 7.5512 118.0036 53.7151 32.3057 175.6308 156 E 4.1268 8.7207 118.8526 56.6673 29.5927 176.6522 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 8.16 4.22 0.00 1.51 1.76 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 2.52 2.46 0.00 2 K 8.50 4.04 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.47 7.81 3 G 8.58 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 4 D 8.45 4.58 0.00 2.77 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 5 T 8.86 3.87 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 1.18 0.00 0.00 6 K 8.16 3.85 0.00 1.71 1.95 0.00 1.42 0.00 0.00 0.95 0.00 0.00 2.53 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.80 1.01 7.81 7 V 8.69 3.90 2.34 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 1.15 0.00 0.00 1.21 0.00 0.00 8 I 7.76 3.73 2.04 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 1.55 0.64 0.92 0.00 0.00 9 N 8.19 4.30 0.00 2.48 2.69 0.00 0.00 7.08 7.06 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 10 Y 8.09 4.07 0.00 3.31 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 11 L 8.70 3.92 0.00 2.02 1.80 1.14 1.07 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 12 N 8.54 4.38 0.00 2.88 2.82 0.00 0.00 6.70 7.61 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 13 K 8.25 3.86 0.00 1.80 1.98 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.45 7.81 14 L 8.17 3.80 0.00 0.99 1.11 0.94 0.52 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 15 L 7.90 3.95 0.00 1.67 1.83 1.02 1.09 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 16 G 8.13 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 17 N 8.04 4.34 0.00 2.98 2.91 0.00 0.00 7.03 7.73 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 18 E 8.30 4.08 0.00 2.26 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 0.00 2.75 2.89 0.00 19 L 8.28 4.23 0.00 1.66 1.73 0.94 1.11 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 20 V 7.72 3.65 2.05 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 0.88 0.00 0.00 0.89 0.00 0.00 21 A 8.12 3.85 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 22 I 8.21 3.76 2.04 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 1.55 1.07 0.90 0.00 0.00 23 N 7.82 4.40 0.00 2.81 2.86 0.00 0.00 6.74 7.81 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 24 Q 8.40 3.85 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 2.19 2.07 0.00 25 Y 8.25 4.33 0.00 3.22 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 26 F 8.46 3.78 0.00 3.42 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 27 L 8.22 3.91 0.00 1.96 1.58 0.89 0.85 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 28 H 8.10 3.75 0.00 3.54 3.20 0.00 5.72 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 29 A 8.38 4.14 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 30 R 7.71 3.77 0.00 1.71 1.87 0.00 3.24 0.00 0.00 3.06 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.59 0.00 31 M 7.84 3.40 0.00 0.90 1.63 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.12 0.00 32 F 7.60 4.62 0.00 3.30 3.25 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 33 K 8.32 3.94 0.00 1.97 1.87 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.42 7.81 34 N 7.86 4.22 0.00 2.67 2.69 0.00 0.00 7.35 8.15 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 35 W 7.83 4.76 0.00 3.76 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 36 G 8.34 4.02 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 0.00 37 L 8.04 4.48 0.00 2.20 1.68 1.06 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.97 3.86 0.00 1.99 1.82 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.57 7.81 39 R 8.32 3.92 0.00 2.00 2.02 0.00 3.47 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 40 L 7.77 4.14 0.00 1.70 1.12 1.10 0.30 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 41 N 8.11 4.44 0.00 3.11 3.00 0.00 0.00 7.10 9.28 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 42 D 8.00 4.32 0.00 2.88 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 43 V 7.63 3.33 1.76 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 -0.55 0.00 0.00 0.80 0.00 0.00 44 E 8.32 3.74 0.00 2.20 2.15 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 2.65 3.13 0.00 45 Y 8.14 3.90 0.00 2.96 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 46 H 8.25 4.21 0.00 3.23 3.22 0.00 5.66 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 47 E 7.80 3.69 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.03 0.00 48 S 8.00 4.10 0.00 3.96 3.84 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 49 I 7.26 3.55 1.85 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.52 0.85 0.00 0.00 50 D 7.81 4.28 0.00 2.83 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 51 E 8.33 4.20 0.00 2.17 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 0.00 2.70 2.80 0.00 52 M 8.06 4.06 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.55 0.00 53 K 8.13 3.95 0.00 1.88 1.82 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.64 7.81 54 H 8.21 4.08 0.00 3.56 3.47 0.00 5.65 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 55 A 8.29 4.25 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 56 D 8.24 4.31 0.00 2.92 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.82 3.85 0.00 1.81 1.76 0.00 3.14 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 58 Y 7.81 4.32 0.00 3.25 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.27 3.78 2.04 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 1.58 0.92 0.95 0.00 0.00 60 E 8.53 4.07 0.00 2.02 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 2.35 2.64 0.00 61 R 8.11 4.00 0.00 2.16 2.21 0.00 3.36 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 62 I 8.43 3.74 1.94 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 1.59 0.82 1.00 0.00 0.00 63 L 8.14 4.02 0.00 2.09 1.80 0.95 0.97 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 64 F 8.17 4.37 0.00 3.02 3.32 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 65 L 8.39 4.29 0.00 1.68 1.62 0.99 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.99 3.68 0.00 2.05 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 2.17 2.28 0.00 67 G 8.18 3.98 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 0.00 68 L 8.04 4.53 0.00 1.62 1.63 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.38 0.00 2.06 2.03 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 70 N 9.54 4.72 0.00 2.59 2.81 0.00 0.00 7.10 7.91 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 71 L 8.29 4.59 0.00 1.64 1.65 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.59 4.11 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 73 D 8.03 4.70 0.00 2.68 2.56 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 74 L 8.26 4.58 0.00 1.52 1.50 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.46 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 76 K 8.32 4.11 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.39 4.09 0.00 1.64 1.56 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.67 4.82 0.00 2.64 2.70 0.00 0.00 7.24 7.98 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 79 I 8.50 3.88 1.89 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 1.34 0.92 0.93 0.00 0.00 80 G 8.16 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 0.00 0.00 0.00 0.00 81 E 8.76 4.72 0.00 2.00 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 2.28 2.32 0.00 82 D 7.67 4.91 0.00 2.77 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 83 V 8.57 4.04 2.19 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 1.19 0.00 0.00 1.22 0.00 0.00 84 E 8.17 3.83 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 85 E 8.50 4.02 0.00 2.25 2.15 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 2.35 2.36 0.00 86 M 8.28 4.12 0.00 2.36 1.76 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.95 0.00 87 L 8.52 4.16 0.00 2.00 1.78 1.25 0.66 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 88 R 8.52 3.89 0.00 2.11 1.94 0.00 3.09 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 89 S 8.13 4.13 0.00 4.07 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.18 4.23 0.00 3.13 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 91 L 8.27 4.01 0.00 1.81 1.90 0.98 1.23 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 92 A 8.06 3.99 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 93 L 7.80 3.89 0.00 1.90 1.81 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.39 4.04 0.00 2.28 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 2.61 2.72 0.00 95 L 8.20 4.02 0.00 2.03 1.75 0.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.50 4.52 0.00 2.70 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 97 G 8.34 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 0.00 0.00 0.00 98 A 8.37 4.02 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 99 K 7.96 3.80 0.00 2.05 2.03 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 N 8.14 4.38 0.00 2.99 2.92 0.00 0.00 7.14 6.74 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 0.00 101 L 8.22 4.00 0.00 1.99 1.74 0.98 1.25 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 0.00 102 R 8.38 3.92 0.00 1.94 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 1.97 0.00 103 E 8.09 3.87 0.00 2.08 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 2.38 2.38 0.00 104 A 7.75 2.84 1.05 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 0.00 105 I 7.86 3.75 1.98 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 1.46 1.02 0.91 0.00 0.00 106 G 7.59 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 0.00 107 Y 7.74 4.09 0.00 3.20 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 0.00 108 A 8.31 3.80 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 0.00 109 D 7.92 4.08 0.00 2.85 2.80 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 0.00 110 S 7.48 4.20 0.00 3.96 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 0.00 111 V 6.84 3.97 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 0.55 0.00 0.00 0.67 0.00 0.00 112 H 6.96 2.79 0.00 3.19 3.32 0.00 5.84 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 0.00 113 D 7.34 4.52 0.00 2.62 2.46 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 0.00 114 Y 7.44 4.27 0.00 3.10 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 0.00 115 V 7.85 3.81 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 0.91 0.00 0.00 0.98 0.00 0.00 116 S 8.34 4.16 0.00 4.17 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 0.00 117 R 8.17 3.88 0.00 1.95 2.20 0.00 3.33 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 1.68 1.67 0.00 118 D 8.48 4.31 0.00 2.94 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 0.00 119 M 8.24 3.97 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 120 M 8.20 4.13 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.79 0.00 121 I 8.13 3.72 2.00 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 1.53 0.83 0.91 0.00 0.00 122 E 8.16 3.96 0.00 2.13 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 2.32 2.34 0.00 123 I 7.56 3.55 1.94 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.52 0.71 0.00 0.00 124 L 8.21 3.94 0.00 1.84 1.86 1.00 0.86 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 0.00 125 R 8.12 3.89 0.00 2.02 2.14 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 126 D 7.95 4.36 0.00 3.03 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 E 8.26 4.00 0.00 2.15 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 2.58 2.53 0.00 128 E 8.68 4.12 0.00 2.25 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 2.34 2.36 0.00 129 G 7.99 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.19 4.44 0.00 3.65 3.59 0.00 5.65 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 0.00 131 I 8.34 3.82 2.12 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 1.50 0.95 0.97 0.00 0.00 132 D 8.47 4.38 0.00 2.96 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 0.00 133 W 8.44 4.12 0.00 3.56 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.42 3.75 0.00 1.97 1.75 1.31 1.18 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 0.00 135 E 8.49 3.91 0.00 2.18 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 2.33 2.48 0.00 136 T 7.93 3.79 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 137 E 7.62 3.75 0.00 1.54 1.64 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 1.47 1.47 0.00 138 L 7.80 3.77 0.00 1.70 1.62 0.89 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.10 4.39 0.00 2.78 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 0.00 140 L 8.15 3.96 0.00 1.88 1.85 0.96 0.81 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 0.00 141 I 7.43 3.42 1.71 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.23 0.68 0.00 0.00 142 Q 7.35 3.93 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 143 K 8.18 4.13 0.00 1.70 1.86 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.64 7.81 144 M 8.40 4.38 0.00 2.18 2.20 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 2.66 2.83 0.00 145 G 7.58 4.08 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 0.00 146 L 8.36 3.97 0.00 1.74 1.66 0.93 0.68 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 0.00 147 Q 8.03 3.99 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 148 N 8.18 4.35 0.00 2.97 2.89 0.00 0.00 6.65 7.48 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 0.00 149 Y 7.90 3.93 0.00 3.05 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 0.00 150 L 8.33 4.09 0.00 2.04 1.71 1.08 1.00 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 0.00 151 Q 8.20 3.91 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.65 4.09 1.21 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 0.00 0.00 153 Q 7.88 4.32 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 154 I 7.36 3.89 2.04 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 1.31 0.46 0.91 0.00 0.00 155 R 7.55 4.65 0.00 1.75 1.80 0.00 3.20 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 156 E 8.72 4.13 0.00 2.10 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 2.26 2.29 0.00