NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3300 8.3049 118.1953 55.1658 32.4256 175.2345 2 D 4.4340 8.5547 122.5143 52.6679 40.2831 173.8690 3 I 4.2308 8.2150 125.3484 59.4500 39.5978 174.8614 4 D 4.7321 8.5142 125.8608 51.9864 41.6935 175.0394 5 P 4.2105 0.0000 0.0000 65.7009 30.9119 176.8892 6 Y 4.1911 9.3198 117.0333 59.0234 38.3401 176.9634 7 K 4.0622 8.2348 120.4859 59.3206 32.3236 178.1853 8 E 4.1993 8.1917 111.3703 57.2226 28.9168 176.6508 9 F 4.8138 8.3964 117.7018 58.1829 40.2351 174.7591 10 G 4.0865 8.5932 105.2285 45.7655 0.0000 173.0164 11 A 4.6065 7.6397 118.6861 51.4036 22.9712 175.6229 12 T 4.7514 7.7767 111.9473 59.4007 70.7616 174.6595 13 V 3.1895 8.9253 126.6540 65.0458 30.9895 178.2901 14 E 3.9845 8.3074 118.7920 57.9711 29.5381 178.2531 15 L 3.6251 8.0513 120.8686 57.9189 42.3175 178.3405 16 L 3.5642 7.5532 118.5281 57.7981 41.1573 179.2905 17 S 4.1402 7.6939 113.4125 61.5129 62.5268 176.3092 18 F 4.4864 8.6723 121.3154 59.4828 38.8928 176.0610 19 L 3.3173 7.4572 118.7013 53.2815 41.7189 175.4111 20 P 4.3607 0.0000 0.0000 62.6398 31.8598 177.0218 21 S 4.0174 9.1430 117.8384 61.6366 62.5911 175.8622 22 D 4.6608 8.1802 116.3015 54.2280 38.9448 176.1705 23 F 4.5269 8.6058 122.1242 58.8431 39.9892 175.7727 24 F 3.7676 8.4306 119.6745 56.4521 39.3098 173.7653 25 P 4.5161 0.0000 0.0000 61.6244 32.5541 176.4104 26 S 4.1806 8.3238 113.1238 58.2985 64.4380 174.8677 27 V 3.2801 8.2915 124.0872 67.1066 31.1122 177.3746 28 R 3.8436 8.4891 116.3344 59.5375 29.4574 178.0381 29 D 4.2962 9.2369 117.5783 57.2488 41.2972 179.1454 30 L 4.0125 8.6910 119.5581 58.3549 41.8241 179.5121 31 L 3.9277 8.6433 118.7731 58.0455 41.5442 179.1756 32 D 4.4549 8.7171 118.7135 58.0349 40.9045 179.8000 33 T 3.8614 8.7122 115.9306 66.6101 68.5428 176.3280 34 A 4.1710 8.5032 123.0697 55.7138 18.4911 179.7342 35 S 4.1187 8.7006 111.5098 61.3651 62.2266 176.1371 36 A 4.2313 8.2418 123.4954 54.1341 18.0470 177.8447 37 L 4.5070 7.7811 115.6761 55.2081 41.2521 176.9766 38 Y 4.5324 8.2186 113.3174 57.8935 43.0885 176.1134 39 R 3.8339 7.4678 118.2968 60.1260 29.7613 178.1306 40 E 3.7547 7.6645 116.0884 59.3703 30.5638 178.9792 41 A 4.0251 8.1166 121.0752 54.9267 18.6581 179.1555 42 L 4.0837 8.9352 117.9876 57.7989 42.0060 179.7039 43 E 4.1084 8.9448 117.6113 59.0369 29.7662 177.3709 44 S 4.0750 7.2528 112.4863 56.8801 63.6811 171.5990 45 P 4.7228 0.0000 0.0000 62.4712 31.2803 175.0137 46 E 4.6013 8.7217 119.6093 54.9095 31.4005 175.8543 47 H 4.2901 8.7771 121.5727 56.5046 29.2450 175.1609 48 C 4.4958 8.8080 120.3978 58.9289 29.5914 174.1898 49 S 5.2082 7.9803 118.6920 56.5348 63.9863 176.1952 50 P 4.2724 0.0000 0.0000 66.6571 30.9867 178.0911 51 H 3.9838 8.6045 114.3254 59.0925 28.6936 176.8589 52 H 3.9176 8.8430 117.7135 60.3583 28.7623 177.1313 53 T 3.8048 8.8734 116.2505 66.8037 68.2214 176.1473 54 A 3.9797 8.8870 122.3439 55.4475 18.7224 179.3398 55 L 3.8533 8.1208 118.9210 58.3927 41.9666 179.2833 56 R 3.8995 8.4376 118.0200 59.6652 30.1228 178.9931 57 Q 4.0385 8.2583 117.3384 58.9909 28.6646 179.1774 58 A 4.0594 8.3395 122.0957 55.1567 18.1312 179.5566 59 I 3.7885 8.3856 118.4696 64.0058 36.9910 178.3062 60 L 4.0819 7.6093 119.6195 57.4196 41.8482 178.1302 61 C 3.8212 7.8744 117.1063 63.0198 31.6210 175.0114 62 W 4.7098 8.5547 129.6145 60.4072 30.1201 177.7013 63 G 3.8337 8.1481 104.7836 48.2186 0.0000 174.7053 64 E 3.8597 8.4502 121.5714 58.9656 29.4331 179.1409 65 L 3.8045 8.0749 119.2646 58.0545 41.7810 179.2554 66 M 3.2344 7.2246 117.7946 58.2334 31.6381 178.7965 67 T 3.9789 7.8249 116.1612 66.1457 68.8618 176.7297 68 L 3.9017 8.0538 122.3551 58.2331 41.9536 178.4795 69 A 4.0223 8.7494 121.6413 55.3733 18.0742 179.2634 70 T 3.8238 7.8222 113.2854 66.8418 68.7878 176.0054 71 W 4.3091 8.6910 130.1391 60.5853 30.6149 178.1398 72 V 3.8795 8.6246 118.5136 66.0510 30.8796 178.0067 73 G 3.8129 7.9526 100.3221 45.5884 0.0000 173.2247 74 N 4.9396 7.6072 115.1543 52.5448 40.2374 174.6950 75 N 4.5597 7.2464 112.4082 52.2691 41.9153 174.3195 76 L 4.3463 7.3497 118.6326 53.4439 42.4587 176.0737 77 E 3.9582 8.3867 124.6808 58.8169 30.2815 176.9494 78 D 4.3324 8.2298 118.4977 54.0998 42.0979 175.4662 79 P 4.1200 0.0000 0.0000 66.0876 31.5174 177.9619 80 A 3.9635 8.1526 119.8070 54.8791 18.3484 179.3448 81 S 4.2384 8.1018 112.6874 61.5118 63.2281 176.3261 82 R 3.9040 7.8375 119.8867 59.5601 28.7490 178.4091 83 D 4.5987 9.0670 121.1948 55.6012 40.8112 178.8231 84 L 3.8491 7.9815 121.7469 58.1371 42.2267 178.6431 85 V 3.6186 7.7847 117.5876 66.1706 31.2240 177.8291 86 V 3.6600 8.2367 118.0786 65.3097 31.0607 176.8230 87 N 4.5169 7.2723 113.9441 55.7356 40.2516 175.7548 88 Y 4.2462 8.0450 120.7500 61.7041 38.5920 177.3796 89 V 3.8138 8.4677 119.8293 63.5719 31.2930 176.7678 90 N 4.2947 7.6013 122.0080 56.1367 39.4647 175.0585 91 T 4.4520 7.9999 113.5794 65.5643 70.8072 175.6324 92 N 4.3424 7.6540 118.4340 56.0477 38.3940 177.1355 93 M 3.9766 7.5946 119.3543 58.6719 32.0774 178.6829 94 G 3.9627 8.3722 105.0171 48.0922 0.0000 174.6532 95 L 3.7742 7.5423 122.9103 57.7221 41.8612 179.0779 96 K 3.7588 7.9969 117.3357 59.7355 32.0266 178.8160 97 I 3.6721 7.4042 119.6420 64.5844 36.9548 178.2515 98 R 3.8165 8.2703 119.0415 60.1615 29.8884 178.2645 99 Q 4.3918 8.2063 116.9266 60.1473 28.7100 179.0280 100 L 3.8806 8.7261 117.0182 58.3791 41.8611 180.5567 101 L 3.8148 8.3467 118.3611 57.9981 41.8931 179.1094 102 W 4.2245 8.8974 129.2359 59.6158 30.5288 177.3368 103 F 3.4779 9.8135 120.6786 61.8598 38.9238 177.6272 104 H 4.0923 8.7601 115.6485 58.8719 28.7844 177.5000 105 I 3.2031 7.5525 121.4371 64.7191 36.8347 178.6360 106 S 3.8490 8.2517 116.3388 61.4155 62.3330 176.6212 107 C 3.8271 7.0670 119.4034 62.8080 27.6921 176.0788 108 L 3.3781 7.3945 118.9059 57.6422 41.1326 178.9388 109 T 4.3376 7.4817 113.7161 64.0591 69.2544 175.3578 110 F 4.5439 8.7190 116.3592 55.5213 41.4213 175.4429 111 G 3.9756 9.5503 111.1381 46.2633 0.0000 174.6565 112 R 3.8068 8.6704 125.2431 60.1532 30.4454 177.0759 113 E 4.1418 8.5896 117.8943 59.1951 29.2258 179.1776 114 T 3.9507 7.7501 114.6521 67.1061 68.9192 175.9266 115 V 3.6045 8.3973 120.2106 66.2828 31.3201 177.8513 116 L 4.0620 8.8226 119.3332 58.0621 41.5236 179.1765 117 E 4.0099 8.9914 118.7355 59.9963 28.9628 178.6910 118 Y 4.5197 8.7892 119.8893 61.5821 38.7292 177.8281 119 L 3.7442 8.2220 119.1083 58.0926 41.7406 179.4583 120 V 3.9447 7.9488 117.2872 66.7120 31.5650 178.6893 121 S 4.1602 8.5875 114.7955 61.7159 62.7144 176.4838 122 F 3.9569 8.9729 124.5978 61.7208 39.0416 176.3238 123 G 3.7405 9.5215 104.2707 48.3223 0.0000 175.8388 124 V 3.3159 7.9343 121.3909 65.3002 32.5047 177.8408 125 W 4.1189 8.4217 127.3272 60.8919 30.1747 177.6456 126 I 3.2101 8.2678 120.9515 64.8149 37.0571 178.4725 127 R 4.0293 8.1430 117.1103 57.9337 29.8614 177.3183 128 T 3.8903 7.4303 116.5045 62.3956 68.7226 172.5249 129 P 4.1476 0.0000 0.0000 62.1964 32.3012 175.0307 130 P 4.0501 0.0000 0.0000 66.2460 30.9573 178.3005 131 A 3.5555 7.4607 120.4405 54.0438 18.2015 177.4512 132 Y 4.6515 8.1466 110.5518 57.1892 40.0092 175.6637 133 R 3.5438 7.4325 120.4732 55.3458 29.9213 174.3044 134 P 4.4548 0.0000 0.0000 62.0060 30.8985 173.7294 135 P 4.3731 0.0000 0.0000 65.3149 31.6415 176.3905 136 N 4.5877 7.8517 118.2857 51.2964 38.6383 173.7402 137 A 4.0151 7.7113 121.3402 49.0158 21.8382 173.9005 138 P 4.5206 0.0000 0.0000 62.3910 32.0499 176.1542 139 I 3.9539 7.3764 116.8615 60.7466 40.2045 173.4406 140 L 4.0058 7.5472 126.9417 54.5024 42.8748 177.0636 141 S 4.7417 8.0084 114.9262 59.1845 66.0950 177.4827 142 T 4.3746 8.5900 118.3987 62.7021 70.4478 173.2915 143 L 4.2460 8.4284 127.4939 54.9638 42.1454 176.1168 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 4.33 0.00 2.14 2.15 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 2.47 2.57 0.00 2 D 8.55 4.43 0.00 2.77 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 3 I 8.22 4.23 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 1.31 0.54 0.92 0.00 0.00 4 D 8.51 4.73 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 5 P 0.00 4.21 0.00 1.57 1.99 0.00 3.87 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 1.71 1.90 0.00 6 Y 9.32 4.19 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 7 K 8.23 4.06 0.00 1.86 1.85 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.42 7.81 8 E 8.19 4.20 0.00 1.84 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 2.30 2.43 0.00 9 F 8.40 4.81 0.00 3.32 3.45 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 10 G 8.59 4.09 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 0.00 0.00 0.00 11 A 7.64 4.61 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 12 T 7.78 4.75 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 1.16 0.00 0.00 13 V 8.93 3.19 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 0.84 0.00 0.00 0.92 0.00 0.00 14 E 8.31 3.98 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 2.35 2.34 0.00 15 L 8.05 3.63 0.00 1.44 1.52 -0.39 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.55 3.56 0.00 1.45 1.58 -1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.69 4.14 0.00 4.08 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 0.00 18 F 8.67 4.49 0.00 2.79 3.12 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 0.00 0.00 0.00 19 L 7.46 3.32 0.00 1.32 0.55 -0.45 -1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.36 0.00 2.57 2.29 0.00 3.13 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 21 S 9.14 4.02 0.00 3.91 4.09 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 22 D 8.18 4.66 0.00 2.87 2.88 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 23 F 8.61 4.53 0.00 2.99 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 24 F 8.43 3.77 0.00 2.86 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 25 P 0.00 4.52 0.00 2.14 2.00 0.00 3.70 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.87 0.00 26 S 8.32 4.18 0.00 4.06 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 27 V 8.29 3.28 1.77 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 0.01 0.00 0.00 -0.03 0.00 0.00 28 R 8.49 3.84 0.00 2.00 1.81 0.00 3.37 0.00 0.00 3.37 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.93 0.00 29 D 9.24 4.30 0.00 2.87 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 30 L 8.69 4.01 0.00 1.81 1.73 1.04 0.73 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 31 L 8.64 3.93 0.00 1.89 1.76 0.91 1.13 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 32 D 8.72 4.45 0.00 2.75 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 33 T 8.71 3.86 4.42 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 1.28 0.00 0.00 34 A 8.50 4.17 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 35 S 8.70 4.12 0.00 3.90 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 36 A 8.24 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.78 4.51 0.00 0.63 1.30 0.99 0.75 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 38 Y 8.22 4.53 0.00 3.24 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 39 R 7.47 3.83 0.00 2.15 1.86 0.00 3.15 0.00 0.00 3.11 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 40 E 7.66 3.75 0.00 2.03 1.84 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 2.36 2.36 0.00 41 A 8.12 4.03 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 42 L 8.94 4.08 0.00 1.87 1.81 0.99 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.94 4.11 0.00 2.09 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 2.38 2.43 0.00 44 S 7.25 4.07 0.00 3.82 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 45 P 0.00 4.72 0.00 2.20 2.10 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 46 E 8.72 4.60 0.00 1.87 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 2.22 2.38 0.00 47 H 8.78 4.29 0.00 3.11 3.28 0.00 5.70 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 48 C 8.81 4.50 0.00 2.58 2.61 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 49 S 7.98 5.21 0.00 4.17 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 50 P 0.00 4.27 0.00 2.00 1.93 0.00 3.63 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 1.97 2.10 0.00 51 H 8.60 3.98 0.00 3.29 3.24 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.84 3.92 0.00 3.49 3.45 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.87 3.80 4.45 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 1.27 0.00 0.00 54 A 8.89 3.98 1.28 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 0.00 0.00 0.00 55 L 8.12 3.85 0.00 1.57 1.81 0.76 0.82 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 56 R 8.44 3.90 0.00 2.03 1.99 0.00 3.22 0.00 0.00 3.53 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 57 Q 8.26 4.04 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 58 A 8.34 4.06 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 59 I 8.39 3.79 2.20 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 1.57 0.85 0.98 0.00 0.00 60 L 7.61 4.08 0.00 1.89 1.73 0.95 1.13 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 61 C 7.87 3.82 0.00 3.04 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 62 W 8.55 4.71 0.00 3.46 3.24 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 0.00 63 G 8.15 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 0.00 0.00 0.00 64 E 8.45 3.86 0.00 2.14 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 0.00 2.29 2.36 0.00 65 L 8.07 3.80 0.00 1.44 1.25 0.94 0.99 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 66 M 7.22 3.23 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 1.29 0.00 67 T 7.82 3.98 4.41 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 1.19 0.00 0.00 68 L 8.05 3.90 0.00 1.57 1.70 0.82 1.23 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 69 A 8.75 4.02 1.28 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 0.00 0.00 0.00 70 T 7.82 3.82 4.40 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 1.26 0.00 0.00 71 W 8.69 4.31 0.00 3.36 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 72 V 8.62 3.88 2.55 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 1.03 0.00 0.00 1.33 0.00 0.00 73 G 7.95 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 0.00 0.00 0.00 74 N 7.61 4.94 0.00 2.74 2.56 0.00 0.00 6.66 7.28 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 75 N 7.25 4.56 0.00 1.44 1.87 0.00 0.00 6.88 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 76 L 7.35 4.35 0.00 1.70 1.57 1.04 0.97 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 77 E 8.39 3.96 0.00 1.91 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 2.28 2.30 0.00 78 D 8.23 4.33 0.00 2.81 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.12 0.00 2.29 2.27 0.00 3.77 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 2.06 2.01 0.00 80 A 8.15 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.10 4.24 0.00 4.04 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 0.00 82 R 7.84 3.90 0.00 2.06 2.46 0.00 2.77 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 83 D 9.07 4.60 0.00 2.66 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 84 L 7.98 3.85 0.00 1.96 1.74 0.95 0.76 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 85 V 7.78 3.62 2.25 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 1.08 0.00 0.00 0.97 0.00 0.00 86 V 8.24 3.66 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 1.00 0.00 0.00 1.02 0.00 0.00 87 N 7.27 4.52 0.00 3.02 2.89 0.00 0.00 6.86 7.34 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 88 Y 8.05 4.25 0.00 3.14 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 89 V 8.47 3.81 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 0.88 0.00 0.00 1.02 0.00 0.00 90 N 7.60 4.29 0.00 2.88 2.94 0.00 0.00 7.16 7.58 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 91 T 8.00 4.45 4.45 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 1.20 0.00 0.00 92 N 7.65 4.34 0.00 1.97 2.49 0.00 0.00 7.09 7.00 0.00 0.00 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 M 7.59 3.98 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.28 0.00 94 G 8.37 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 95 L 7.54 3.77 0.00 1.56 1.58 0.67 1.12 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 96 K 8.00 3.76 0.00 1.94 1.86 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.51 7.81 97 I 7.40 3.67 1.68 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.35 0.51 0.00 0.00 98 R 8.27 3.82 0.00 1.79 1.99 0.00 3.34 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 99 Q 8.21 4.39 0.00 2.33 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.64 0.00 0.00 0.00 0.00 0.00 1.48 2.30 0.00 100 L 8.73 3.88 0.00 1.82 1.67 0.78 0.79 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 0.00 101 L 8.35 3.81 0.00 2.03 1.71 0.85 0.90 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 0.00 102 W 8.90 4.22 0.00 3.44 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.81 3.48 0.00 3.70 3.46 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 0.00 104 H 8.76 4.09 0.00 3.11 3.14 0.00 5.70 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 0.00 105 I 7.55 3.20 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 1.31 0.62 0.80 0.00 0.00 106 S 8.25 3.85 0.00 2.72 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 0.00 107 C 7.07 3.83 0.00 2.47 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.39 3.38 0.00 1.24 1.49 0.30 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.48 4.34 4.46 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 0.53 0.00 0.00 110 F 8.72 4.54 0.00 2.67 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 0.00 111 G 9.55 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 0.00 112 R 8.67 3.81 0.00 1.98 2.02 0.00 3.52 0.00 0.00 3.61 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 113 E 8.59 4.14 0.00 2.04 1.93 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 2.44 2.39 0.00 114 T 7.75 3.95 4.43 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 0.00 0.00 0.00 1.23 0.00 0.00 115 V 8.40 3.60 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 0.78 0.00 0.00 0.51 0.00 0.00 116 L 8.82 4.06 0.00 1.88 1.79 1.07 1.17 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 0.00 117 E 8.99 4.01 0.00 2.20 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 2.40 2.40 0.00 118 Y 8.79 4.52 0.00 2.87 3.36 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 0.00 119 L 8.22 3.74 0.00 1.89 1.54 1.13 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.95 3.94 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 1.21 0.00 0.00 1.07 0.00 0.00 121 S 8.59 4.16 0.00 4.27 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 0.00 122 F 8.97 3.96 0.00 2.15 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 0.00 123 G 9.52 3.74 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 0.00 0.00 0.00 124 V 7.93 3.32 2.36 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 0.84 0.00 0.00 0.99 0.00 0.00 125 W 8.42 4.12 0.00 3.26 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 0.00 126 I 8.27 3.21 2.16 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.48 0.93 0.00 0.00 127 R 8.14 4.03 0.00 1.78 1.88 0.00 3.00 0.00 0.00 3.01 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 128 T 7.43 3.89 4.10 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 1.15 0.00 0.00 129 P 0.00 4.15 0.00 2.24 1.97 0.00 3.64 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 2.16 2.08 0.00 130 P 0.00 4.05 0.00 2.05 2.20 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 131 A 7.46 3.56 0.47 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 0.00 132 Y 8.15 4.65 0.00 2.84 2.88 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 0.00 133 R 7.43 3.54 0.00 1.49 1.43 0.00 2.21 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 134 P 0.00 4.45 0.00 2.38 2.19 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.14 0.00 135 P 0.00 4.37 0.00 2.26 2.17 0.00 3.85 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 136 N 7.85 4.59 0.00 2.84 2.87 0.00 0.00 5.73 7.26 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 0.00 137 A 7.71 4.02 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 P 0.00 4.52 0.00 2.43 2.16 0.00 3.01 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 139 I 7.38 3.95 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 1.28 0.98 0.91 0.00 0.00 140 L 7.55 4.01 0.00 0.27 0.44 0.04 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 141 S 8.01 4.74 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 0.00 142 T 8.59 4.37 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 1.19 0.00 0.00 143 L 8.43 4.25 0.00 1.59 1.54 0.93 0.93 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