NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 4.1114 7.9014 120.3156 61.6579 33.5417 177.2375 5 G 3.5523 8.2888 108.6214 47.2586 0.0000 171.8264 6 T 4.4453 8.1882 117.4887 61.7661 71.9062 171.6502 7 T 4.5154 8.4577 123.0671 61.9041 70.3677 173.8640 8 T 4.4847 8.4068 123.0559 61.7916 70.4489 174.2534 9 T 4.3341 8.3563 116.7370 61.3242 69.5771 174.1249 10 L 4.6950 8.1523 119.6831 54.5642 41.9261 178.7381 11 E 4.0994 8.4756 121.4484 58.7351 29.8146 177.3835 12 K 4.7325 7.1416 120.1791 51.8836 35.5057 181.1318 13 R 3.9219 8.5805 118.8715 56.5613 30.5093 175.0027 14 P 4.5929 0.0000 0.0000 62.7564 31.8987 174.9153 15 E 5.2802 8.7050 123.8809 54.7603 32.6744 175.5496 16 I 4.7587 8.5977 121.3758 59.5711 42.3332 173.3765 17 L 4.8964 9.3304 132.0136 54.6697 43.3388 175.4236 18 I 5.2174 9.1026 126.7048 59.6792 41.9500 174.3825 19 F 4.8924 9.7066 126.2294 57.1289 40.1502 175.0090 20 V 4.6440 9.2880 125.9291 61.2415 32.4626 175.4912 21 N 4.3891 10.2047 128.8571 54.4284 36.3861 176.0186 22 G 3.9630 8.7877 104.6486 45.3092 0.0000 173.1040 23 Y 4.4253 7.6105 117.8920 54.8572 40.9656 173.4296 24 P 4.5710 0.0000 0.0000 62.8762 32.2811 175.8151 25 I 4.4871 8.8739 123.8607 59.3764 41.6874 174.1208 26 K 4.7438 8.5403 128.1159 55.3349 32.6139 175.7229 27 F 4.7807 9.2177 127.3612 56.5118 41.3572 174.6354 28 L 4.9244 8.7383 123.7534 53.4799 43.6591 175.7110 29 L 4.2530 8.9768 127.7015 55.1488 42.3118 177.1429 30 N 5.0287 9.2400 122.8772 51.3576 38.8925 174.6010 31 T 3.9443 8.5958 113.4044 63.4639 69.2524 175.8932 32 G 3.9957 8.0184 109.6688 45.0834 0.0000 172.5950 33 A 4.6319 7.9131 122.0561 49.7351 21.3768 177.8582 34 D 4.5173 9.0569 123.3589 56.6670 42.0411 176.4148 35 I 5.2858 7.4048 108.9925 57.9370 41.2808 175.2561 36 T 4.6881 8.4152 119.0022 63.1409 69.6241 174.1108 37 I 5.7366 9.0739 119.2914 58.2395 41.4315 174.1839 38 L 4.8990 8.1061 122.3096 54.5898 44.0449 174.5847 39 N 4.9011 8.6462 117.1298 52.9155 39.5770 176.4046 40 R 3.9574 8.8613 122.2787 59.5370 30.2323 179.0318 41 R 3.9946 8.5665 113.2338 58.2871 29.3267 176.7392 42 D 4.6750 7.9564 117.0788 53.8106 41.4408 175.5262 43 F 4.7615 8.1035 122.3506 56.2119 41.0097 174.5907 44 Q 4.0025 7.5212 126.8861 53.7231 29.4494 175.3355 45 V 2.9672 7.9257 123.8703 64.9317 33.0124 179.0932 46 K 3.5972 7.5088 115.2780 57.9124 31.4467 175.9713 47 N 4.7406 9.0489 124.9187 54.5211 38.7132 175.0901 48 S 4.9302 8.3222 116.1071 58.5678 64.6134 173.0176 49 I 4.8076 8.4349 115.7817 58.7646 39.9701 174.5941 50 E 3.5221 8.9137 127.2842 55.7096 30.1981 175.8794 51 N 4.8461 8.9384 126.9279 53.3419 39.4865 174.3173 52 G 3.7914 8.2083 104.1363 44.2885 0.0000 172.8690 53 R 4.9967 7.9091 116.4030 54.6575 32.6892 176.1075 54 Q 4.5054 8.9184 121.9313 54.6301 32.3002 173.6796 55 N 5.4466 8.8629 123.5622 52.2971 40.6897 174.1396 56 M 4.9481 9.2249 118.6148 53.8676 35.3368 173.6911 57 I 4.8679 8.4274 120.3237 59.8771 40.6169 175.1886 58 G 4.1544 9.1486 114.4499 44.1211 0.0000 172.9296 59 V 3.7283 8.5673 117.6433 64.8468 31.5778 177.2713 60 G 4.0079 9.5128 106.0144 45.0258 0.0000 174.0806 61 G 3.6441 6.2759 106.5884 44.8371 0.0000 172.2740 62 G 4.5298 8.1404 109.1822 44.6261 0.0000 172.3739 63 K 4.9096 9.0599 120.7874 55.5332 37.2593 176.1385 64 R 5.1375 8.5973 121.0990 55.3419 33.0365 175.4129 65 G 4.2904 9.2595 108.8448 44.8704 0.0000 170.7462 66 T 5.0220 8.6720 115.8356 61.7149 71.1445 174.1412 67 N 5.1910 8.8897 124.2792 53.0350 40.6750 173.9341 68 Y 5.1830 8.9342 118.7211 56.3248 42.8624 174.3101 69 I 4.9309 8.3926 115.1966 58.7675 41.8788 174.0680 70 N 4.2096 8.6674 116.9379 54.7845 36.9108 173.5871 71 V 4.4860 7.7603 116.9469 60.9384 33.9169 174.2420 72 H 4.3405 9.6199 128.8794 55.5743 31.1216 173.6715 73 L 5.3216 8.7252 126.1205 52.9411 44.8210 175.1555 74 E 5.1568 9.0714 124.8090 54.2525 32.8596 174.5458 75 I 4.2198 8.4545 128.4426 60.8966 38.0951 175.9962 76 R 4.7367 8.2169 126.1961 54.2319 29.7140 173.9916 77 D 4.8670 7.8699 121.7147 52.4930 44.7290 176.7492 78 E 4.0287 9.0341 122.1150 59.0608 29.8071 175.2407 79 N 4.5724 8.4540 113.3722 54.0589 38.9289 174.5019 80 Y 4.7948 7.6403 115.5986 55.4369 41.8719 175.2225 81 K 4.2223 8.5664 121.9253 56.6029 33.6102 176.9099 82 T 4.3236 8.1659 112.5519 61.6512 69.5933 173.5499 83 Q 4.7376 8.4729 122.0249 54.5947 33.8521 172.9417 84 C 5.5206 8.7520 121.4977 57.7350 34.3602 172.9193 85 I 4.8069 8.7182 118.0990 59.5846 41.5072 173.6537 86 F 4.7834 8.9691 121.4833 56.1266 40.5580 174.8980 87 G 4.4033 9.0135 114.6645 44.8734 0.0000 170.6717 88 N 5.7462 8.4643 116.6689 51.8074 42.0339 174.7564 89 V 4.6701 8.4426 112.7170 60.0553 36.9514 173.4855 90 C 5.1613 8.9647 123.6010 57.6415 34.3724 172.5656 91 V 4.7473 8.7529 126.6392 61.3235 33.4871 174.3911 92 L 4.6859 8.6067 128.4034 53.6743 42.0388 177.7917 93 E 4.0330 9.0763 124.7092 58.5374 29.6956 177.4958 94 D 4.6503 8.1009 116.2725 52.3500 39.9378 175.6826 95 N 4.3815 7.9861 115.6775 54.5875 36.1764 174.9580 96 S 4.4220 8.2479 111.3479 58.8208 64.0978 174.0145 97 L 4.0916 7.9049 124.5546 54.9988 42.3133 176.8022 98 I 3.8904 8.4172 127.0923 64.2191 37.4086 176.2455 99 Q 4.5470 7.5285 117.8643 53.7114 31.9295 171.7899 100 P 4.5658 0.0000 0.0000 62.9703 32.8097 174.9805 101 L 5.2379 9.1370 123.2712 52.9331 45.0749 175.1003 102 L 4.4461 9.1001 126.6560 53.9155 43.7135 176.0046 103 G 4.4124 8.2040 115.2966 44.8488 0.0000 173.8080 104 R 4.0615 8.8729 118.5178 59.1533 30.1589 178.8064 105 D 4.3816 8.0605 117.3712 56.5821 39.3481 178.5356 106 N 4.3269 7.9417 116.2886 54.7951 38.9512 177.1878 107 M 4.2263 7.9560 120.5838 58.2302 31.9650 178.6856 108 I 3.7053 7.8071 113.3194 64.1347 37.4752 178.6054 109 K 3.8908 7.8312 118.5981 58.6791 32.0194 177.6806 110 F 4.7372 7.7574 115.1685 57.0263 39.4342 174.7220 111 N 4.2445 7.8947 118.3750 54.5105 37.4450 174.0237 112 I 4.2835 8.0541 117.9164 60.5972 38.5013 176.1484 113 R 4.7658 8.2237 121.9250 54.4415 34.0900 174.2818 114 L 4.6992 8.2935 119.0616 53.2044 43.3818 176.5693 115 V 4.4911 8.1309 121.3869 61.2589 34.6371 174.8505 116 M 4.3417 8.4522 124.2580 55.8034 32.4448 174.7019 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 4 V 7.90 4.11 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 0.78 0.00 0.00 0.93 0.00 0.00 5 G 8.29 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.19 4.45 4.19 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 0.84 0.00 0.00 7 T 8.46 4.52 4.22 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 1.21 0.00 0.00 8 T 8.41 4.48 4.33 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 1.29 0.00 0.00 9 T 8.36 4.33 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 10 L 8.15 4.69 0.00 1.73 1.70 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.48 4.10 0.00 2.08 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 0.00 2.28 2.25 0.00 12 K 7.14 4.73 0.00 1.94 1.56 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.23 7.81 13 R 8.58 3.92 0.00 1.81 1.95 0.00 3.18 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 14 P 0.00 4.59 0.00 2.16 2.28 0.00 3.68 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 15 E 8.71 5.28 0.00 1.89 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 2.25 2.46 0.00 16 I 8.60 4.76 1.47 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.24 0.80 0.00 0.00 17 L 9.33 4.90 0.00 1.90 1.74 1.28 1.14 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 18 I 9.10 5.22 2.29 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.65 1.12 0.00 0.00 19 F 9.71 4.89 0.00 2.85 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 20 V 9.29 4.64 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 1.29 0.00 0.00 1.31 0.00 0.00 21 N 10.20 4.39 0.00 2.82 2.87 0.00 0.00 7.15 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 22 G 8.79 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 23 Y 7.61 4.43 0.00 2.82 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 24 P 0.00 4.57 0.00 1.90 1.42 0.00 3.44 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 25 I 8.87 4.49 1.70 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 0.98 0.76 0.15 0.00 0.00 26 K 8.54 4.74 0.00 1.73 1.69 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.49 7.81 27 F 9.22 4.78 0.00 2.99 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 28 L 8.74 4.92 0.00 1.80 1.71 0.99 1.02 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 29 L 8.98 4.25 0.00 1.54 1.61 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 30 N 9.24 5.03 0.00 2.97 2.71 0.00 0.00 6.55 7.83 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 31 T 8.60 3.94 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 32 G 8.02 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 0.00 0.00 0.00 33 A 7.91 4.63 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 34 D 9.06 4.52 0.00 2.61 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 35 I 7.40 5.29 1.86 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 1.36 1.34 0.90 0.00 0.00 36 T 8.42 4.69 4.34 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 1.13 0.00 0.00 37 I 9.07 5.74 1.89 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 0.96 0.32 0.92 0.00 0.00 38 L 8.11 4.90 0.00 1.65 1.80 1.03 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.65 4.90 0.00 2.95 2.99 0.00 0.00 6.44 7.66 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 40 R 8.86 3.96 0.00 1.92 2.10 0.00 3.19 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 41 R 8.57 3.99 0.00 1.90 2.04 0.00 3.07 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 42 D 7.96 4.67 0.00 2.78 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 43 F 8.10 4.76 0.00 2.82 2.83 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 44 Q 7.52 4.00 0.00 1.70 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.00 45 V 7.93 2.97 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 1.14 0.00 0.00 0.75 0.00 0.00 46 K 7.51 3.60 0.00 1.82 0.94 0.00 1.91 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.34 1.35 7.81 47 N 9.05 4.74 0.00 2.81 2.92 0.00 0.00 6.81 7.57 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 48 S 8.32 4.93 0.00 4.12 4.29 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 49 I 8.43 4.81 1.90 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 1.20 1.19 0.97 0.00 0.00 50 E 8.91 3.52 0.00 1.83 1.75 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 1.67 1.98 0.00 51 N 8.94 4.85 0.00 2.59 2.63 0.00 0.00 7.48 8.10 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 52 G 8.21 3.79 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 0.00 0.00 0.00 53 R 7.91 5.00 0.00 1.67 1.83 0.00 3.29 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 54 Q 8.92 4.51 0.00 2.17 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 55 N 8.86 5.45 0.00 2.61 2.71 0.00 0.00 6.85 7.66 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 56 M 9.22 4.95 0.00 1.98 2.09 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 2.47 2.67 0.00 57 I 8.43 4.87 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 1.28 0.95 0.91 0.00 0.00 58 G 9.15 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.57 3.73 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 0.81 0.00 0.00 0.94 0.00 0.00 60 G 9.51 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 0.00 0.00 0.00 61 G 6.28 3.64 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 0.00 0.00 0.00 62 G 8.14 4.53 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 0.00 0.00 0.00 63 K 9.06 4.91 0.00 1.64 1.65 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.54 7.81 64 R 8.60 5.14 0.00 1.54 1.64 0.00 3.21 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 65 G 9.26 4.29 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 0.00 0.00 0.00 66 T 8.67 5.02 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 1.09 0.00 0.00 67 N 8.89 5.19 0.00 2.55 2.67 0.00 0.00 6.33 7.78 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 68 Y 8.93 5.18 0.00 2.84 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 69 I 8.39 4.93 1.92 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 1.15 0.87 0.98 0.00 0.00 70 N 8.67 4.21 0.00 2.94 3.06 0.00 0.00 6.81 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 71 V 7.76 4.49 2.31 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 1.32 0.00 0.00 1.17 0.00 0.00 72 H 9.62 4.34 0.00 3.10 3.11 0.00 5.59 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.73 5.32 0.00 1.67 1.73 0.88 0.57 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 E 9.07 5.16 0.00 1.84 1.61 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 1.97 2.32 0.00 75 I 8.45 4.22 1.65 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 -0.21 0.74 0.00 0.00 76 R 8.22 4.74 0.00 1.31 1.52 0.00 3.01 0.00 0.00 2.96 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.50 0.00 77 D 7.87 4.87 0.00 2.83 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 78 E 9.03 4.03 0.00 2.03 1.86 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 2.23 1.91 0.00 79 N 8.45 4.57 0.00 2.59 2.38 0.00 0.00 6.79 7.05 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 80 Y 7.64 4.79 0.00 2.87 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 81 K 8.57 4.22 0.00 1.87 1.82 0.00 1.60 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.45 7.81 82 T 8.17 4.32 4.18 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 1.15 0.00 0.00 83 Q 8.47 4.74 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 84 C 8.75 5.52 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 85 I 8.72 4.81 1.71 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.26 0.63 0.00 0.00 86 F 8.97 4.78 0.00 2.92 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 87 G 9.01 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 0.00 0.00 0.00 0.00 88 N 8.46 5.75 0.00 2.56 2.70 0.00 0.00 6.69 8.51 0.00 0.00 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 8.44 4.67 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 0.69 0.00 0.00 0.38 0.00 0.00 90 C 8.96 5.16 0.00 3.05 2.83 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 91 V 8.75 4.75 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 1.03 0.00 0.00 0.55 0.00 0.00 92 L 8.61 4.69 0.00 1.65 1.78 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 93 E 9.08 4.03 0.00 1.97 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 2.35 2.27 0.00 94 D 8.10 4.65 0.00 2.78 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 95 N 7.99 4.38 0.00 2.84 2.90 0.00 0.00 7.00 7.57 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 96 S 8.25 4.42 0.00 3.97 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 97 L 7.90 4.09 0.00 1.67 1.74 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.42 3.89 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 1.30 0.92 0.91 0.00 0.00 99 Q 7.53 4.55 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 100 P 0.00 4.57 0.00 1.51 1.42 0.00 3.57 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.94 0.00 101 L 9.14 5.24 0.00 1.63 1.60 0.95 0.50 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 0.00 102 L 9.10 4.45 0.00 1.41 1.46 0.37 0.99 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 0.00 103 G 8.20 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 0.00 0.00 0.00 0.00 104 R 8.87 4.06 0.00 1.85 1.98 0.00 3.16 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 105 D 8.06 4.38 0.00 2.81 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 0.00 106 N 7.94 4.33 0.00 2.63 2.64 0.00 0.00 7.08 7.66 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 0.00 107 M 7.96 4.23 0.00 2.12 2.12 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 2.76 2.57 0.00 108 I 7.81 3.71 1.85 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 1.78 0.70 0.99 0.00 0.00 109 K 7.83 3.89 0.00 1.52 1.66 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.34 7.81 110 F 7.76 4.74 0.00 3.16 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 0.00 111 N 7.89 4.24 0.00 2.89 2.91 0.00 0.00 7.13 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.05 4.28 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.75 0.94 0.00 0.00 113 R 8.22 4.77 0.00 1.74 1.79 0.00 3.26 0.00 0.00 3.46 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 114 L 8.29 4.70 0.00 1.63 1.59 0.93 0.82 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 0.00 115 V 8.13 4.49 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 0.81 0.00 0.00 0.94 0.00 0.00 116 M 8.45 4.34 0.00 1.96 1.84 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 2.47 2.50 0.00