NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.5064 8.2893 120.3486 55.2556 33.6718 175.6177 4 D 4.4499 8.3269 125.5533 52.7951 41.9328 175.8710 5 T 3.8639 9.0453 119.9873 67.0742 68.7732 177.7104 6 A 3.9772 7.9073 121.8140 55.4827 18.2362 179.6801 7 Q 4.0336 8.1537 115.7074 58.6021 28.8704 178.5367 8 L 3.8405 7.9813 121.9185 57.9277 42.1181 179.0354 9 K 4.0759 8.1362 118.5373 59.2334 31.8940 179.4326 10 S 4.1159 7.8990 115.3012 61.8424 62.7248 176.8166 11 Q 4.0375 7.6479 120.2463 58.9766 28.3474 178.9079 12 I 3.8168 7.7056 120.4003 64.4550 37.0770 178.4366 13 Q 3.9898 8.1302 118.9590 59.0885 28.4881 178.8160 14 Q 3.8692 8.0381 120.5470 59.1691 29.0267 177.6673 15 Y 4.0656 8.3199 120.8233 60.5285 38.8391 177.2802 16 L 3.6237 8.2550 121.6840 58.0891 42.1642 179.2461 17 V 3.4765 7.8356 118.0528 66.2248 31.3698 178.0470 18 E 3.9915 8.0301 117.0709 59.0140 29.3181 179.0792 19 S 4.1373 7.7557 113.5955 59.4468 63.1241 175.3726 20 G 4.1712 7.8330 111.0729 45.1856 0.0000 175.2443 21 N 3.8767 7.5074 117.2157 56.0943 38.2809 176.3495 22 Y 3.9340 8.0926 121.4657 60.8962 38.7482 178.3718 23 E 4.0043 7.9501 118.8390 59.1435 29.5765 179.3088 24 L 3.9316 7.5843 118.4821 57.8810 41.8130 179.2288 25 I 3.7051 7.9208 120.0862 64.5849 37.0533 178.3780 26 S 3.8963 7.8397 113.6595 61.4389 62.1457 176.0042 27 N 4.3144 8.1156 119.1706 56.2346 38.2793 177.1059 28 E 3.9025 8.2913 120.7893 58.9479 29.6953 178.3944 29 L 3.8334 7.9918 120.4834 58.3185 42.2051 179.0941 30 K 3.8799 7.9933 118.0104 59.3429 31.9406 179.2085 31 A 4.0008 7.9681 120.9648 55.3292 18.3363 179.9675 32 R 3.8848 8.0675 116.5686 59.4046 30.1140 179.3603 33 L 4.0141 8.0846 118.9271 57.6330 41.3956 179.3490 34 L 4.1208 8.1470 120.4761 58.2158 41.8138 179.0369 35 Q 4.0523 7.9328 117.3260 58.6401 28.7447 177.8227 36 E 4.2709 8.3452 118.2328 56.8708 30.0061 177.9099 37 G 3.9723 7.8244 107.5974 45.8799 0.0000 175.2861 38 W 4.1033 8.3580 131.5833 60.1606 30.4712 178.2687 39 V 3.3227 8.0505 117.8707 66.0562 30.9157 177.4096 40 D 4.2947 7.9984 117.1947 57.1269 41.1193 178.1983 41 K 3.9043 7.7167 119.0172 59.2348 32.0360 179.5378 42 V 3.3460 7.2696 118.5139 65.3236 31.2630 178.2706 43 K 3.8293 7.5576 118.2861 59.6752 31.9651 179.0463 44 D 4.3481 7.7375 119.1012 57.1303 40.7484 178.6072 45 L 3.9757 7.9243 120.9331 57.9373 41.9228 179.2964 46 T 3.8295 7.6722 115.9848 66.4652 68.5263 176.8357 47 K 3.8704 7.9751 120.3535 59.6275 32.0341 179.1461 48 S 4.0773 8.1099 113.1756 61.6376 62.2755 176.0813 49 E 4.0214 8.0500 120.4632 58.9267 28.9622 179.2274 50 M 4.0442 7.8803 118.7385 58.3749 32.1915 178.1117 51 N 4.4964 8.0246 115.4099 56.2368 38.7800 177.4514 52 I 3.8266 7.6924 120.2118 63.7105 37.6718 176.7439 53 N 4.5969 7.2688 115.9503 53.0084 39.1634 175.6361 54 E 4.0367 8.6895 120.7288 59.6115 29.8831 177.7637 55 S 4.4156 7.7823 112.3049 58.0617 63.1392 173.7461 56 T 4.3637 8.2394 115.0019 61.7001 69.6741 175.3367 57 N 4.3996 7.9596 121.2826 53.4674 39.9312 174.5505 58 F 4.1174 9.0587 127.3551 62.1647 39.4637 177.4686 59 T 3.5785 8.1261 114.3594 66.8829 67.7514 176.4570 60 Q 4.0907 7.8084 120.5816 58.2451 28.9042 178.4148 61 I 3.7846 7.7738 120.6858 63.6432 36.9847 178.1286 62 L 3.8063 7.6539 122.1460 57.7320 41.5249 178.9244 63 S 4.0477 7.9807 114.3353 61.5536 63.1432 176.5721 64 T 3.9921 7.5258 118.3044 66.0086 68.3847 177.3138 65 V 3.4709 7.6611 120.1987 65.7196 31.4527 177.4225 66 E 3.9188 8.3890 119.3843 59.0502 29.6057 176.9003 67 P 4.2584 0.0000 0.0000 65.7318 31.2287 178.7245 68 K 3.9907 7.3129 114.1596 59.4638 32.3578 178.9797 69 A 4.2109 8.2515 121.2228 55.0567 17.7695 179.6397 70 L 4.1097 8.3640 117.8396 58.1369 41.5016 179.5507 71 E 4.1687 8.0631 116.8821 59.0310 29.5048 178.6008 72 M 4.4790 7.8357 117.1047 55.8334 32.2556 176.6389 73 V 3.5656 7.1573 119.2377 62.3108 32.1658 176.4944 74 S 4.3455 8.5514 122.7046 58.5035 64.8751 174.9512 75 D 4.3983 8.6535 122.8948 57.2849 40.4069 179.0560 76 S 4.0503 7.9961 113.6347 61.7344 62.3695 176.1167 77 T 3.9537 7.5350 116.8628 66.2112 68.2592 177.1739 78 R 3.8355 7.7717 119.8199 59.3039 30.1560 178.6648 79 E 3.9042 8.3048 118.9821 59.5121 29.6154 179.0533 80 T 3.8183 7.6185 115.7320 66.8002 68.6467 177.1289 81 V 3.6375 8.0243 120.2357 65.7635 31.4509 178.0429 82 L 4.0429 8.0989 119.1743 57.2800 41.4485 179.1036 83 K 3.8974 8.0361 119.7075 59.7029 32.0069 178.9591 84 Q 3.8493 8.0671 118.2873 58.8677 28.7549 178.6546 85 I 3.9285 7.8551 120.9548 64.4753 37.1911 178.5171 86 R 3.9813 8.1765 119.5780 59.3661 29.7621 178.3930 87 E 3.9271 8.0957 118.5700 59.3590 29.4616 179.3061 88 F 4.5474 7.8771 117.9371 60.3371 38.8770 177.7800 89 L 4.2234 8.0638 118.2273 57.2375 41.2618 178.6913 90 E 4.1755 8.1210 117.9338 57.9452 29.3392 177.9682 91 E 4.0359 7.9767 119.4087 58.5746 29.5460 178.1973 92 I 3.5246 7.5905 117.8444 63.8061 37.9755 177.7186 93 V 3.7027 7.0426 115.8737 65.6841 31.3994 177.4064 94 D 4.5211 7.3991 117.8188 57.4513 40.8366 176.5718 95 T 4.0577 7.3880 112.1453 62.1622 68.5503 173.4901 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 3 M 8.29 4.51 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 4 D 8.33 4.45 0.00 2.99 2.77 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 T 9.05 3.86 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 1.22 0.00 0.00 6 A 7.91 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.15 4.03 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 8 L 7.98 3.84 0.00 1.77 1.85 0.92 0.17 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 9 K 8.14 4.08 0.00 2.09 1.86 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.64 7.81 10 S 7.90 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 11 Q 7.65 4.04 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 12 I 7.71 3.82 1.93 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 1.56 0.95 1.02 0.00 0.00 13 Q 8.13 3.99 0.00 2.29 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 14 Q 8.04 3.87 0.00 2.28 2.27 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 2.43 2.34 0.00 15 Y 8.32 4.07 0.00 3.07 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 16 L 8.25 3.62 0.00 2.12 1.83 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.84 3.48 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 0.87 0.00 0.00 0.49 0.00 0.00 18 E 8.03 3.99 0.00 2.00 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 2.31 2.38 0.00 19 S 7.76 4.14 0.00 3.61 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 20 G 7.83 4.17 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 0.00 0.00 0.00 21 N 7.51 3.88 0.00 2.24 1.50 0.00 0.00 6.48 7.14 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 22 Y 8.09 3.93 0.00 3.00 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 23 E 7.95 4.00 0.00 2.28 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 2.33 2.43 0.00 24 L 7.58 3.93 0.00 1.78 1.75 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.92 3.71 1.69 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.75 0.83 0.00 0.00 26 S 7.84 3.90 0.00 3.60 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 27 N 8.12 4.31 0.00 2.94 2.84 0.00 0.00 6.68 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 28 E 8.29 3.90 0.00 2.04 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 2.28 2.30 0.00 29 L 7.99 3.83 0.00 1.68 1.70 0.71 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.99 3.88 0.00 1.85 1.87 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.59 7.81 31 A 7.97 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.07 3.88 0.00 1.97 1.95 0.00 3.08 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 33 L 8.08 4.01 0.00 1.82 1.89 -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.15 4.12 0.00 1.99 1.87 0.98 0.55 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 35 Q 7.93 4.05 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 36 E 8.35 4.27 0.00 2.26 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 2.37 2.45 0.00 37 G 7.82 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 38 W 8.36 4.10 0.00 3.43 3.44 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 39 V 8.05 3.32 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 0.98 0.00 0.00 1.20 0.00 0.00 40 D 8.00 4.29 0.00 2.81 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 41 K 7.72 3.90 0.00 1.82 1.70 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.64 7.81 42 V 7.27 3.35 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 -0.42 0.00 0.00 43 K 7.56 3.83 0.00 1.94 1.78 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.54 7.81 44 D 7.74 4.35 0.00 2.71 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 45 L 7.92 3.98 0.00 1.69 1.77 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.67 3.83 4.36 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 1.20 0.00 0.00 47 K 7.98 3.87 0.00 1.78 1.85 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.62 7.81 48 S 8.11 4.08 0.00 3.91 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 49 E 8.05 4.02 0.00 2.21 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 2.51 2.45 0.00 50 M 7.88 4.04 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.58 0.00 51 N 8.02 4.50 0.00 2.69 2.87 0.00 0.00 7.13 7.01 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 52 I 7.69 3.83 1.95 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 1.51 0.55 0.90 0.00 0.00 53 N 7.27 4.60 0.00 2.83 2.73 0.00 0.00 7.19 7.76 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 54 E 8.69 4.04 0.00 1.95 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 0.00 2.31 2.23 0.00 55 S 7.78 4.42 0.00 3.82 3.82 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 56 T 8.24 4.36 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 1.22 0.00 0.00 57 N 7.96 4.40 0.00 2.80 2.84 0.00 0.00 6.71 8.13 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 58 F 9.06 4.12 0.00 3.13 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 59 T 8.13 3.58 4.27 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 1.21 0.00 0.00 60 Q 7.81 4.09 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 61 I 7.77 3.78 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.12 0.85 0.00 0.00 62 L 7.65 3.81 0.00 0.97 1.42 0.81 0.82 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 63 S 7.98 4.05 0.00 4.07 4.06 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 0.00 0.00 0.00 64 T 7.53 3.99 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 1.27 0.00 0.00 65 V 7.66 3.47 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 1.00 0.00 0.00 0.92 0.00 0.00 66 E 8.39 3.92 0.00 2.08 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 2.41 0.00 67 P 0.00 4.26 0.00 2.20 2.11 0.00 3.84 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 2.11 2.19 0.00 68 K 7.31 3.99 0.00 1.94 1.87 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.61 7.81 69 A 8.25 4.21 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 70 L 8.36 4.11 0.00 1.93 1.78 0.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.06 4.17 0.00 2.17 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 0.00 2.46 2.55 0.00 72 M 7.84 4.48 0.00 2.19 2.51 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 2.95 2.58 0.00 73 V 7.16 3.57 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.48 0.00 0.00 74 S 8.55 4.35 0.00 4.10 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.65 4.40 0.00 2.70 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 76 S 8.00 4.05 0.00 3.88 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 77 T 7.54 3.95 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 78 R 7.77 3.84 0.00 1.98 1.95 0.00 3.10 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 1.59 1.58 0.00 79 E 8.30 3.90 0.00 2.07 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 2.33 0.00 80 T 7.62 3.82 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 1.23 0.00 0.00 81 V 8.02 3.64 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 0.98 0.00 0.00 0.90 0.00 0.00 82 L 8.10 4.04 0.00 1.94 1.68 0.93 0.56 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 83 K 8.04 3.90 0.00 1.88 1.99 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.44 7.81 84 Q 8.07 3.85 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.66 0.00 85 I 7.86 3.93 2.03 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 1.46 1.25 0.99 0.00 0.00 86 R 8.18 3.98 0.00 2.09 2.00 0.00 3.21 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 87 E 8.10 3.93 0.00 1.93 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 2.23 2.43 0.00 88 F 7.88 4.55 0.00 3.27 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 89 L 8.06 4.22 0.00 2.02 1.76 1.09 0.70 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 90 E 8.12 4.18 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 2.30 2.47 0.00 91 E 7.98 4.04 0.00 2.13 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 0.00 2.50 2.59 0.00 92 I 7.59 3.52 1.58 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.32 0.85 0.00 0.00 93 V 7.04 3.70 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.95 0.00 0.00 94 D 7.40 4.52 0.00 3.01 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 95 T 7.39 4.06 4.27 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 1.37 0.00 0.00