NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4646 8.2516 118.1489 55.6981 33.2540 175.4013 1 E 4.4926 9.7186 120.5062 54.5997 30.8074 170.8533 2 Q 4.7825 9.1823 123.3629 55.1766 30.3324 175.0667 3 L 4.7944 8.8406 124.7975 53.6051 44.1418 176.1251 4 T 4.4532 8.6072 110.5420 60.1941 70.6664 175.9035 5 K 3.2634 8.4440 122.4865 59.8251 32.0400 179.5406 6 C 4.3718 8.0161 116.2966 59.8577 40.4758 175.7230 7 E 3.9060 7.9688 120.1698 59.3172 29.0373 179.5257 8 V 3.4709 7.6078 118.3522 65.7585 31.3127 177.7335 9 F 4.0401 8.0365 119.3663 61.5540 39.3902 176.8968 10 Q 4.1528 8.2748 117.5646 58.9821 28.3366 178.8645 11 K 4.0144 8.1908 118.5900 58.6222 32.1754 178.3565 12 L 4.3947 7.5872 117.8809 54.1976 41.6928 178.1891 13 K 3.5939 7.4525 121.9194 59.8005 32.0282 178.3935 14 D 4.4104 7.8738 114.7212 55.8219 41.2631 176.1921 15 L 3.9717 7.7145 118.1301 54.9538 42.1489 176.0846 16 K 3.9099 7.6804 120.4517 58.1502 32.2167 175.8414 17 D 4.5686 9.3188 124.2877 54.8581 39.4234 172.9576 18 Y 4.1004 8.4998 122.5186 58.6587 39.0774 176.4435 19 G 3.6659 8.8584 113.9550 46.0741 0.0000 174.0459 20 G 3.7661 8.3878 106.5138 45.2257 0.0000 173.7938 21 V 3.9349 7.9876 121.1685 60.9030 31.7284 175.9805 22 S 4.8071 8.9021 123.4549 57.8971 64.8906 174.8181 23 L 4.1006 8.5568 124.1112 58.2493 41.8344 177.3606 24 P 4.5785 0.0000 0.0000 65.9465 31.1662 178.4016 25 E 3.8248 7.8184 117.0104 59.0702 29.2237 179.4245 26 W 4.0270 7.7605 118.9303 59.5898 28.9943 178.8130 27 V 3.6498 7.9873 118.4072 66.0882 31.0411 177.2785 28 C 2.4500 7.7520 118.1946 58.9505 44.1425 175.6607 29 I 3.5145 7.6092 121.3696 64.2433 36.6544 178.2291 30 A 3.7876 8.0740 121.7714 54.9361 18.2031 179.4673 31 F 3.2804 8.3210 119.2299 61.6900 39.2945 177.2173 32 H 3.9865 7.8913 113.8869 58.3616 28.4776 177.4675 33 T 4.3304 7.6538 117.3031 65.3712 69.0906 175.9599 34 S 4.4272 7.6575 110.8948 57.1682 64.8912 174.3236 35 G 3.5841 8.3022 108.0128 47.0662 0.0000 174.2620 36 Y 3.7590 7.8422 113.6575 58.1592 35.1751 168.2972 37 D 5.0725 7.8289 121.4535 53.2568 41.1994 177.0839 38 T 4.2009 8.5678 117.1919 63.1280 69.3074 175.7429 39 Q 4.6416 8.1173 120.3435 55.4809 29.7228 174.6358 40 A 4.2862 7.6858 121.5000 52.3148 19.5864 177.3995 41 I 4.8183 8.2012 121.4869 59.5197 40.9507 174.8211 42 V 4.3487 8.5025 126.9442 61.1378 34.0028 174.1882 43 Q 5.0482 8.6847 126.3744 54.5261 30.7808 174.3848 44 N 5.1086 8.9507 119.1748 51.1056 42.6800 175.4633 45 N 4.2363 8.9259 116.1467 56.6557 38.4529 176.2473 46 D 4.7740 7.8543 113.6525 52.8176 40.0859 175.3549 47 S 5.0442 7.2446 112.9521 59.0924 66.2953 173.4184 48 T 5.0780 8.8994 116.5839 61.8716 72.5860 173.0120 49 E 5.3278 9.1323 124.9779 54.8805 32.6185 174.5620 50 Y 5.1179 9.0376 121.0287 57.3937 41.6569 177.7237 51 G 4.3193 8.9782 111.9060 44.2164 0.0000 173.1370 52 L 4.0225 8.6445 118.6340 57.2001 41.7344 178.7962 53 F 4.7209 8.1088 112.9893 56.6796 39.9428 175.4437 54 Q 3.5216 8.0703 119.2985 57.0538 26.5702 173.9094 55 I 4.3946 8.1091 119.3732 60.8365 38.8836 177.3347 56 N 5.4948 9.4868 125.3327 52.3488 39.1262 174.7945 57 N 5.4138 8.7238 117.4872 52.7458 37.3891 175.4609 58 K 4.3736 8.5821 122.9424 58.1598 33.8694 177.8127 59 I 4.1481 8.7401 118.2540 60.8124 40.1050 177.8582 60 W 4.5790 8.4182 120.9642 57.7331 30.3612 174.3532 61 C 5.4901 8.2426 111.4412 53.6611 44.8155 172.7968 62 K 5.0056 8.8686 120.5459 54.8145 34.3970 174.6141 63 D 4.8632 8.3340 124.7591 52.1220 42.3483 174.6900 64 D 4.4856 8.8561 117.3719 57.4889 41.1023 178.0471 65 Q 4.1199 8.2918 120.0805 58.4382 29.2062 174.2310 66 N 5.1280 8.8314 116.8792 51.2666 39.1097 172.3750 67 P 4.5435 0.0000 0.0000 63.9264 32.0641 176.6549 68 H 4.7611 7.8499 114.4344 55.5389 28.7690 175.3337 69 S 4.4202 7.3818 113.0709 57.9152 62.6473 174.5735 70 R 3.8102 8.0287 125.8008 57.4995 30.2809 175.8757 71 N 4.2837 8.1597 116.3456 54.1046 37.9672 175.5080 72 I 3.6629 7.6379 119.4004 64.8280 37.5531 177.2514 73 C 4.5154 8.5362 114.6050 56.8260 40.8456 172.8293 74 N 4.1858 8.1311 117.5977 52.0855 37.1486 172.2379 75 I 4.2127 6.6959 117.7718 60.0428 41.6318 172.7022 76 S 4.7424 8.0344 118.9933 57.5051 64.0958 175.9479 77 C 3.7006 8.4652 122.0615 59.8919 34.2628 176.0114 78 D 4.0697 7.6671 119.6019 55.6800 38.6443 178.4355 79 K 3.9999 7.5222 119.5445 58.7075 31.9659 177.3575 80 F 5.4434 7.5871 117.1381 56.9821 38.7119 176.4825 81 L 5.1149 8.0912 117.9578 53.5251 42.3268 175.7530 82 D 4.9757 7.7735 118.9119 51.5199 41.7314 175.7462 83 D 4.3498 8.4968 117.5670 56.4255 41.3319 176.2664 84 D 4.5842 7.9548 119.7608 53.1994 40.4144 176.3051 85 L 4.5320 8.3490 126.2403 55.5010 41.9068 178.6049 86 T 3.8502 7.6378 117.1291 67.0237 68.5370 175.9522 87 D 4.4676 8.1003 120.0905 56.3411 39.1770 177.9654 88 D 4.2446 8.2888 120.0155 57.3788 40.9007 178.6655 89 I 3.3151 8.0587 120.6149 64.0437 37.1961 178.5762 90 V 3.3696 7.3969 118.6707 66.2098 31.3323 177.3493 91 C 4.2977 8.2379 117.8835 59.3417 44.2789 175.2967 92 A 3.5719 7.5487 122.6007 54.8255 17.6812 179.6946 93 K 3.5981 7.4462 116.9089 59.3843 31.9883 179.7313 94 K 4.0305 7.3577 117.6277 59.4420 31.9977 179.4529 95 I 2.6675 7.0954 120.0231 63.8070 36.3452 178.2675 96 L 4.0618 8.0962 121.1872 58.3365 41.8121 178.6461 97 D 4.4810 8.3739 117.8998 57.3311 40.8573 178.8046 98 K 4.2285 8.4844 117.8635 59.3091 32.5096 179.1179 99 V 4.2487 8.3389 110.5206 60.3223 33.0927 176.5186 100 G 3.9759 7.4809 103.5336 44.4356 0.0000 174.1127 101 I 4.1696 8.2992 117.2643 63.4292 37.8447 176.5365 102 N 4.6219 8.0320 115.6179 54.6616 38.2275 175.9448 103 Y 3.8232 7.6990 121.6762 59.6994 38.8208 176.7792 104 W 4.6461 8.0494 117.8340 58.2854 30.6593 177.8034 105 L 4.2049 8.3954 117.7655 54.3437 41.8178 176.4879 106 A 3.6776 8.5467 121.0030 53.6042 16.4295 177.0978 107 H 4.1914 8.8910 113.8507 56.6432 27.4692 175.5322 108 K 4.5170 7.8498 118.6618 54.7745 34.1344 177.2888 109 A 4.4151 8.2318 127.3863 51.1646 17.1427 177.4226 110 L 4.3241 7.5289 120.1670 55.6166 43.3234 178.3577 111 C 5.2428 7.8514 114.7647 56.5670 40.8021 173.9294 112 S 4.4795 8.1358 114.6489 58.7227 65.7025 175.0466 113 E 4.6972 8.1003 117.3652 55.1987 32.1030 175.1953 114 K 3.9626 8.5973 117.7674 57.2589 30.0499 177.2245 115 L 4.4373 7.9005 119.0295 57.6048 41.7096 178.1591 116 D 4.5981 8.0995 118.4629 55.3280 39.2048 178.0098 117 Q 3.8115 7.7887 118.9040 58.2661 28.6591 176.7045 118 W 4.7580 7.4746 118.7245 56.6493 29.5146 176.4505 119 L 4.0965 7.3583 119.3279 54.3281 41.9075 176.2145 120 C 4.1322 6.8925 119.6964 56.7132 44.5312 173.3686 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 8.25 4.46 0.00 2.05 2.50 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 1 E 9.72 4.49 0.00 2.08 1.83 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 2.22 2.43 0.00 2 Q 9.18 4.78 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.63 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 3 L 8.84 4.79 0.00 1.46 1.66 0.89 0.96 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 4 T 8.61 4.45 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 1.22 0.00 0.00 5 K 8.44 3.26 0.00 1.93 1.84 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.58 1.80 7.81 6 C 8.02 4.37 0.00 2.98 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 7 E 7.97 3.91 0.00 2.09 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 2.32 2.30 0.00 8 V 7.61 3.47 1.92 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 0.94 0.00 0.00 0.55 0.00 0.00 9 F 8.04 4.04 0.00 3.21 3.27 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 10 Q 8.27 4.15 0.00 2.38 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 11 K 8.19 4.01 0.00 1.81 1.83 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.46 7.81 12 L 7.59 4.39 0.00 1.58 1.50 0.96 1.03 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 13 K 7.45 3.59 0.00 1.89 1.80 0.00 1.24 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.36 7.81 14 D 7.87 4.41 0.00 2.53 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 15 L 7.71 3.97 0.00 1.25 0.16 -0.27 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.68 3.91 0.00 1.77 1.79 0.00 1.93 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.48 7.81 17 D 9.32 4.57 0.00 3.03 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 18 Y 8.50 4.10 0.00 3.13 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 19 G 8.86 3.67 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 20 G 8.39 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 0.00 0.00 0.00 21 V 7.99 3.93 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 -0.13 0.00 0.00 0.73 0.00 0.00 22 S 8.90 4.81 0.00 4.15 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 23 L 8.56 4.10 0.00 1.75 1.74 0.73 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.58 0.00 2.37 2.52 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 25 E 7.82 3.82 0.00 1.85 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 2.24 2.31 0.00 26 W 7.76 4.03 0.00 3.48 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 V 7.99 3.65 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 1.20 0.00 0.00 28 C 7.75 2.45 0.00 1.23 2.65 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 0.00 0.00 0.00 0.00 29 I 7.61 3.51 1.88 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 1.29 0.53 0.37 0.00 0.00 30 A 8.07 3.79 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 F 8.32 3.28 0.00 2.90 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 32 H 7.89 3.99 0.00 3.19 3.29 0.00 5.89 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.65 4.33 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 1.50 0.00 0.00 34 S 7.66 4.43 0.00 4.02 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 35 G 8.30 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.84 3.76 0.00 3.27 3.06 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 37 D 7.83 5.07 0.00 2.78 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 38 T 8.57 4.20 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 1.22 0.00 0.00 39 Q 8.12 4.64 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.12 0.00 0.00 0.00 0.00 0.00 2.62 2.35 0.00 40 A 7.69 4.29 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 41 I 8.20 4.82 1.80 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 1.08 0.89 0.64 0.00 0.00 42 V 8.50 4.35 2.21 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 1.01 0.00 0.00 0.95 0.00 0.00 43 Q 8.68 5.05 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.55 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 44 N 8.95 5.11 0.00 2.74 2.68 0.00 0.00 7.00 6.46 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 45 N 8.93 4.24 0.00 2.71 2.88 0.00 0.00 6.80 8.06 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 46 D 7.85 4.77 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 7.24 5.04 0.00 4.24 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 48 T 8.90 5.08 4.32 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 0.75 0.00 0.00 49 E 9.13 5.33 0.00 1.97 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 2.34 2.32 0.00 50 Y 9.04 5.12 0.00 3.13 3.05 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 51 G 8.98 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.64 4.02 0.00 1.45 1.33 0.87 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.11 4.72 0.00 3.10 3.42 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 54 Q 8.07 3.52 0.00 2.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.82 0.00 0.00 0.00 0.00 0.00 2.55 2.66 0.00 55 I 8.11 4.39 1.87 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.65 1.01 0.00 0.00 56 N 9.49 5.49 0.00 3.06 3.19 0.00 0.00 6.29 7.12 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 57 N 8.72 5.41 0.00 2.92 3.26 0.00 0.00 6.78 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.58 4.37 0.00 1.96 1.84 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.43 7.81 59 I 8.74 4.15 1.42 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 0.99 0.75 -0.31 0.00 0.00 60 W 8.42 4.58 0.00 3.67 3.29 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 61 C 8.24 5.49 0.00 3.02 3.40 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 62 K 8.87 5.01 0.00 1.80 1.63 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.32 1.34 7.81 63 D 8.33 4.86 0.00 2.67 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.86 4.49 0.00 2.72 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 65 Q 8.29 4.12 0.00 2.14 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 66 N 8.83 5.13 0.00 2.80 2.81 0.00 0.00 7.20 7.60 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 67 P 0.00 4.54 0.00 2.12 2.10 0.00 3.81 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 2.08 2.13 0.00 68 H 7.85 4.76 0.00 3.28 3.30 0.00 5.67 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 69 S 7.38 4.42 0.00 4.17 3.81 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 70 R 8.03 3.81 0.00 1.68 1.95 0.00 3.34 0.00 0.00 2.95 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.00 71 N 8.16 4.28 0.00 2.99 2.72 0.00 0.00 7.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.64 3.66 1.74 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.45 1.06 0.00 0.00 73 C 8.54 4.52 0.00 3.45 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.13 4.19 0.00 2.76 2.80 0.00 0.00 6.90 7.69 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 75 I 6.70 4.21 1.82 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.02 0.77 0.00 0.00 76 S 8.03 4.74 0.00 4.07 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.47 3.70 0.00 2.05 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 78 D 7.67 4.07 0.00 2.91 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.52 4.00 0.00 1.52 1.60 0.00 1.49 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.49 7.81 80 F 7.59 5.44 0.00 3.33 3.14 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 0.00 81 L 8.09 5.11 0.00 1.77 1.74 1.16 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.77 4.98 0.00 2.79 2.71 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 0.00 0.00 0.00 0.00 83 D 8.50 4.35 0.00 2.71 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.95 4.58 0.00 2.71 2.59 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 0.00 85 L 8.35 4.53 0.00 1.73 1.71 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.64 3.85 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 1.19 0.00 0.00 87 D 8.10 4.47 0.00 3.08 2.96 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 88 D 8.29 4.24 0.00 3.03 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 89 I 8.06 3.32 1.94 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.81 0.56 0.00 0.00 90 V 7.40 3.37 2.21 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 0.96 0.00 0.00 0.91 0.00 0.00 91 C 8.24 4.30 0.00 3.15 2.93 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 92 A 7.55 3.57 0.31 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 93 K 7.45 3.60 0.00 1.62 1.33 0.00 1.19 0.00 0.00 0.81 0.00 0.00 2.30 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.73 7.81 94 K 7.36 4.03 0.00 2.03 2.01 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.49 7.81 95 I 7.10 2.67 1.24 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.68 0.00 0.00 96 L 8.10 4.06 0.00 2.33 2.16 1.15 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.37 4.48 0.00 2.99 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 98 K 8.48 4.23 0.00 2.13 2.10 0.00 1.68 0.00 0.00 2.15 0.00 0.00 3.23 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.65 1.63 7.81 99 V 8.34 4.25 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 1.04 0.00 0.00 0.96 0.00 0.00 100 G 7.48 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 0.00 101 I 8.30 4.17 1.89 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 1.68 1.41 0.92 0.00 0.00 102 N 8.03 4.62 0.00 2.72 2.67 0.00 0.00 6.79 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 0.00 103 Y 7.70 3.82 0.00 2.58 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 0.00 0.00 0.00 104 W 8.05 4.65 0.00 3.52 3.13 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 0.00 105 L 8.40 4.20 0.00 1.87 1.91 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.55 3.68 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 0.00 107 H 8.89 4.19 0.00 3.27 3.47 0.00 5.83 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.85 4.52 0.00 1.92 1.71 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.37 7.81 109 A 8.23 4.42 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 0.00 110 L 7.53 4.32 0.00 1.53 1.53 0.78 0.90 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 0.00 111 C 7.85 5.24 0.00 2.82 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 0.00 112 S 8.14 4.48 0.00 3.84 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 0.00 113 E 8.10 4.70 0.00 1.97 1.87 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 2.24 2.33 0.00 114 K 8.60 3.96 0.00 1.83 1.74 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.34 7.81 115 L 7.90 4.44 0.00 1.78 1.88 0.97 1.19 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 0.00 116 D 8.10 4.60 0.00 2.92 2.93 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 0.00 117 Q 7.79 3.81 0.00 1.75 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.99 0.00 0.00 0.00 0.00 0.00 1.51 1.16 0.00 118 W 7.47 4.76 0.00 3.56 3.35 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 0.00 119 L 7.36 4.10 0.00 1.57 1.38 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 120 C 6.89 4.13 0.00 2.49 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 0.00 0.00 0.00