NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6105 8.2233 120.1925 53.9372 43.2435 177.2271 5 I 3.5276 8.5244 118.7211 63.6723 37.9180 175.9028 6 L 3.9667 8.0369 120.9457 57.8734 42.5365 178.2652 7 K 3.8951 8.0403 119.1246 59.8496 31.9399 178.6197 8 Q 4.0627 8.2653 117.2811 58.9805 29.0380 178.6003 9 R 4.0902 8.0266 118.6709 59.2279 30.2374 178.9709 10 A 4.1616 8.1779 120.4937 54.6983 18.0181 179.5831 11 K 4.0880 8.0734 118.1787 59.4922 32.3033 178.6635 12 A 4.1223 7.8897 119.8522 54.4005 17.9352 178.6533 13 F 4.1333 7.9588 118.4960 61.7453 39.3435 175.8451 14 D 4.6638 7.6212 115.8511 54.5499 40.6637 177.0331 15 Y 4.6295 7.8411 118.1808 58.4156 40.3684 177.1191 16 V 3.9556 7.6846 111.6493 61.0917 32.2866 175.9295 17 F 4.5865 8.7010 124.0787 60.9321 39.6880 176.0047 18 D 4.2996 7.9836 119.3778 54.2306 41.5601 176.1324 19 A 4.1643 8.7610 125.3420 51.1491 19.5778 176.1770 20 I 4.6382 8.6823 124.5865 60.0969 39.5199 175.2603 21 V 4.7002 9.0038 127.3309 61.1237 34.3380 174.0733 22 V 4.9448 8.8571 128.7191 61.5494 33.4023 174.6644 23 T 5.2677 9.0540 117.7124 60.0547 72.7897 172.8973 24 D 5.0794 8.3631 122.4601 51.7429 41.9281 177.1806 25 L 3.9147 8.5589 117.4898 58.0292 41.5698 178.3858 26 Q 4.1055 8.3452 114.8442 55.7150 28.9046 176.5925 27 G 3.7204 8.2612 106.9443 45.5915 0.0000 173.3102 28 F 4.8688 8.6836 119.7933 56.1914 39.9359 175.1494 29 I 4.3861 8.7037 127.1001 61.8967 37.2371 176.4566 30 I 4.4089 9.1233 120.3220 60.9669 39.4913 175.0962 31 D 4.9909 8.0087 121.4406 53.0227 44.9341 173.5074 32 W 5.7577 8.9593 132.6817 56.3729 34.1308 173.4277 33 N 4.8257 7.7726 123.5237 50.8550 39.5142 175.9874 34 K 4.0873 8.8837 118.2636 59.3311 31.8402 179.9762 35 G 3.4353 7.6890 105.7747 47.8268 0.0000 175.8307 36 S 3.7666 7.5866 116.9048 60.9527 62.6357 176.1306 37 E 4.9400 7.6356 123.0564 59.1283 29.1274 179.1601 38 T 3.9129 7.5281 115.1163 66.3994 68.6841 176.4290 39 L 3.8803 7.6204 120.8597 58.1428 42.3463 177.9091 40 Y 4.6218 8.3614 115.9239 58.1703 38.3016 176.7241 41 G 3.8711 8.3555 107.1550 45.5793 0.0000 173.8921 42 Y 4.3326 7.9020 117.4125 57.6705 38.7149 175.7303 43 S 4.7541 8.9138 119.4998 57.4594 65.5589 175.3895 44 K 3.8416 8.7247 122.9742 60.0964 31.6825 178.6841 45 E 3.9866 8.1344 116.5447 59.2487 29.3921 178.8338 46 Q 4.0750 7.4161 117.4006 58.4550 29.2871 177.8782 47 A 3.4095 7.4711 121.7546 53.5662 18.1869 178.0860 48 I 3.9310 6.7602 118.0913 63.0237 37.4760 176.5719 49 G 3.8289 9.0789 114.6338 45.1560 0.0000 173.5942 50 Q 4.4437 7.6312 119.1015 53.7139 30.1939 173.5170 51 P 4.4396 0.0000 0.0000 62.4471 32.0558 177.9270 52 V 3.5176 8.4303 122.8684 64.6754 31.1178 178.1125 53 N 3.8242 7.8680 116.5983 54.9713 36.7834 176.3257 54 M 3.9009 7.5573 120.2614 58.2787 32.4356 177.1871 55 L 4.2176 7.8948 118.2308 55.3469 41.8651 176.4608 56 H 4.9539 7.2310 116.3861 54.2854 30.2862 174.9207 57 V 3.8288 8.1096 121.0514 62.0556 31.5633 174.9138 58 P 4.3036 0.0000 0.0000 66.0201 31.0130 178.6244 59 G 3.6686 8.0174 102.3554 47.3092 0.0000 174.5513 60 D 4.5373 8.4982 120.8093 56.0636 41.0509 178.5977 61 T 3.8455 7.3478 115.9817 66.7679 68.5986 175.4881 62 E 3.8701 8.0713 120.0793 59.9280 29.7157 178.5429 63 H 4.3800 7.9997 115.5056 58.5990 28.8282 177.8206 64 I 3.5952 7.8221 121.7681 64.6131 36.8847 178.5001 65 T 3.6880 8.0063 117.0923 66.6775 68.2903 176.9010 66 S 4.0683 7.8799 115.6379 61.2759 63.1052 176.1494 67 E 3.9503 8.1582 123.0593 58.8664 29.3079 179.0379 68 V 2.9077 7.7435 118.7284 65.8606 31.6737 178.0491 69 I 3.6246 7.7056 119.6833 64.3013 36.7992 178.4629 70 S 4.0496 8.0673 113.6508 61.3445 62.3532 176.0186 71 A 4.9395 7.9318 124.6659 54.8997 18.1687 179.7519 72 V 3.7298 8.1060 116.8614 66.2907 31.3831 178.0238 73 E 4.1760 8.1093 116.8342 58.3762 29.4414 177.8719 74 N 4.7898 8.3375 115.2631 54.1932 40.1400 175.7870 75 Q 4.3725 8.8023 117.8530 55.3201 30.0184 177.3701 76 G 4.3729 9.9501 105.3409 44.8668 0.0000 172.9784 77 K 4.6979 7.3941 117.3394 55.1656 35.1350 173.9912 78 W 5.0192 9.1291 135.0000 55.8303 33.6036 174.2703 79 T 4.2024 6.9759 115.0204 59.8137 71.5245 172.8021 80 G 3.6905 7.3199 109.4745 46.1312 0.0000 171.7990 81 E 5.4447 9.0130 119.8416 54.6635 30.9323 175.6968 82 I 4.9318 8.5435 117.3341 58.8096 41.6461 175.1425 83 R 4.0265 8.0149 121.4170 55.8557 31.1013 175.9008 84 M 5.0283 8.9106 117.8214 53.5139 35.0442 173.9840 85 L 4.8748 8.7048 123.4535 53.5068 43.6229 175.8596 86 H 4.5364 8.9413 126.6176 55.3786 30.6576 175.9540 87 K 3.5374 8.1965 124.0657 58.4870 31.8263 177.7063 88 D 4.4589 8.0486 116.2814 53.5870 39.8944 176.6120 89 G 4.0694 7.5846 107.0013 45.7644 0.0000 174.0654 90 H 4.5893 9.1329 116.4128 55.3091 29.5738 174.1696 91 I 4.8248 8.0769 121.1202 60.2730 39.4208 174.9164 92 G 4.3005 8.6112 111.0155 45.2379 0.0000 171.0170 93 W 5.4065 9.1702 118.9513 54.7757 32.5003 175.4178 94 I 5.1525 9.0027 115.9079 59.3594 41.5210 173.2857 95 E 4.8503 9.2234 124.7443 54.8694 31.1803 174.6720 96 S 5.3737 9.2133 121.5608 56.8442 66.4645 172.1616 97 M 5.2759 9.0096 123.2414 54.0877 36.2464 173.2729 98 C 5.3671 9.6185 124.8502 57.7610 35.2467 172.6346 99 V 4.8651 9.0253 126.2929 60.2288 34.2200 172.9588 100 P 4.6772 0.0000 0.0000 62.7920 32.4519 175.3119 101 I 4.2249 8.4925 122.8096 59.8995 39.3453 174.3577 102 Y 4.7826 8.3811 123.5978 57.9835 40.1500 174.9076 103 G 3.6251 10.1026 112.9881 45.9536 0.0000 174.6939 104 E 4.6971 8.5728 116.4692 54.9990 34.1917 174.9717 105 N 4.1368 9.5176 117.0703 55.7355 37.5300 172.9532 106 Y 3.1710 7.8749 110.2995 58.4377 37.6114 169.9017 107 Q 4.5023 7.8824 117.4434 54.0543 29.9413 175.5313 108 M 4.6689 8.8305 123.7575 55.9279 32.5630 175.6092 109 V 4.2407 8.8822 125.3851 62.0984 33.3772 175.0842 110 G 4.0372 6.9565 104.3002 47.3549 0.0000 171.1148 111 A 5.1705 8.1687 120.1509 50.1147 23.4198 175.0712 112 L 4.9003 9.3549 121.7788 53.1551 44.8774 175.3860 113 G 4.5782 9.3939 113.7385 44.4612 0.0000 171.8729 114 I 5.1447 8.8334 125.0833 59.4936 40.3887 174.4800 115 N 5.6893 9.1692 123.2674 51.7729 43.3434 173.7009 116 R 4.6972 8.5986 119.5272 54.3447 34.9983 174.0531 117 D 4.9143 8.5168 123.2277 53.9186 42.1394 175.7987 118 I 4.7326 8.8655 117.4976 60.9583 38.8582 177.2251 119 T 3.9941 8.5923 118.8915 67.4115 68.3656 175.3932 120 K 3.9188 8.2319 120.2893 58.9682 32.2869 176.4154 121 R 4.2083 7.5902 120.8739 56.1653 30.1284 175.8503 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 D 8.22 4.61 0.00 2.70 2.50 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 0.00 0.00 0.00 0.00 5 I 8.52 3.53 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 1.53 1.09 0.92 0.00 0.00 6 L 8.04 3.97 0.00 1.76 1.66 0.93 0.39 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 7 K 8.04 3.90 0.00 1.93 1.96 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.55 7.81 8 Q 8.27 4.06 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 9 R 8.03 4.09 0.00 2.08 2.01 0.00 3.14 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 10 A 8.18 4.16 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 11 K 8.07 4.09 0.00 2.07 2.05 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.70 1.66 7.81 12 A 7.89 4.12 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 13 F 7.96 4.13 0.00 3.24 3.15 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 14 D 7.62 4.66 0.00 2.41 2.39 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 0.00 15 Y 7.84 4.63 0.00 3.12 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 16 V 7.68 3.96 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 0.76 0.00 0.00 0.95 0.00 0.00 17 F 8.70 4.59 0.00 2.83 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 18 D 7.98 4.30 0.00 2.53 2.50 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 0.00 0.00 0.00 0.00 19 A 8.76 4.16 1.04 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 0.00 0.00 0.00 0.00 0.00 20 I 8.68 4.64 1.41 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 0.85 1.17 1.11 0.00 0.00 21 V 9.00 4.70 2.13 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 1.03 0.00 0.00 0.82 0.00 0.00 22 V 8.86 4.94 2.27 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 0.96 0.00 0.00 1.09 0.00 0.00 23 T 9.05 5.27 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 24 D 8.36 5.08 0.00 2.79 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 L 8.56 3.91 0.00 1.65 1.76 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.35 4.11 0.00 2.41 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.09 0.00 0.00 0.00 0.00 0.00 2.51 2.39 0.00 27 G 8.26 3.72 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 0.00 0.00 0.00 28 F 8.68 4.87 0.00 3.17 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 29 I 8.70 4.39 1.98 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.79 1.00 0.00 0.00 30 I 9.12 4.41 1.89 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 1.28 0.69 1.00 0.00 0.00 31 D 8.01 4.99 0.00 2.76 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 32 W 8.96 5.76 0.00 3.41 2.91 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 33 N 7.77 4.83 0.00 2.10 1.42 0.00 0.00 6.71 6.30 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 34 K 8.88 4.09 0.00 1.69 1.84 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.59 7.81 35 G 7.69 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 0.00 0.00 0.00 36 S 7.59 3.77 0.00 2.72 2.63 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 37 E 7.64 4.94 0.00 2.28 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 0.00 2.45 2.60 0.00 38 T 7.53 3.91 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 1.27 0.00 0.00 39 L 7.62 3.88 0.00 1.20 1.10 0.66 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.36 4.62 0.00 3.73 3.39 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 0.00 41 G 8.36 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 0.00 0.00 0.00 42 Y 7.90 4.33 0.00 2.76 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 43 S 8.91 4.75 0.00 4.12 4.04 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 0.00 0.00 0.00 44 K 8.72 3.84 0.00 2.08 1.96 0.00 1.89 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.58 1.74 7.81 45 E 8.13 3.99 0.00 1.94 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 2.31 2.46 0.00 46 Q 7.42 4.07 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 47 A 7.47 3.41 -0.29 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 48 I 6.76 3.93 1.79 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.86 0.87 0.00 0.00 49 G 9.08 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 50 Q 7.63 4.44 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 51 P 0.00 4.44 0.00 2.41 2.00 0.00 3.70 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 52 V 8.43 3.52 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 0.87 0.00 0.00 0.85 0.00 0.00 53 N 7.87 3.82 0.00 2.80 2.95 0.00 0.00 5.91 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 54 M 7.56 3.90 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.28 0.00 55 L 7.89 4.22 0.00 1.61 1.52 0.44 0.70 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 56 H 7.23 4.95 0.00 3.15 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.11 3.83 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 0.84 0.00 0.00 0.82 0.00 0.00 58 P 0.00 4.30 0.00 2.17 2.10 0.00 3.63 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 59 G 8.02 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 60 D 8.50 4.54 0.00 2.63 2.63 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 61 T 7.35 3.85 4.30 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 1.18 0.00 0.00 62 E 8.07 3.87 0.00 1.98 1.85 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 2.45 2.41 0.00 63 H 8.00 4.38 0.00 3.20 3.31 0.00 5.69 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 64 I 7.82 3.60 1.60 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 1.64 0.67 0.52 0.00 0.00 65 T 8.01 3.69 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 1.11 0.00 0.00 66 S 7.88 4.07 0.00 4.05 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 67 E 8.16 3.95 0.00 2.24 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 2.61 2.45 0.00 68 V 7.74 2.91 1.63 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 0.76 0.00 0.00 -0.73 0.00 0.00 69 I 7.71 3.62 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.07 0.90 0.00 0.00 70 S 8.07 4.05 0.00 4.00 4.04 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 0.00 0.00 0.00 71 A 7.93 4.94 1.66 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 0.00 0.00 72 V 8.11 3.73 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 1.01 0.00 0.00 1.08 0.00 0.00 73 E 8.11 4.18 0.00 2.21 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 2.36 0.00 74 N 8.34 4.79 0.00 2.78 2.89 0.00 0.00 6.91 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 75 Q 8.80 4.37 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.57 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 76 G 9.95 4.37 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 0.00 77 K 7.39 4.70 0.00 1.78 1.67 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.70 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.43 7.81 78 W 9.13 5.02 0.00 3.46 3.07 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 79 T 6.98 4.20 3.92 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 1.05 0.00 0.00 80 G 7.32 3.69 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 0.00 0.00 0.00 81 E 9.01 5.44 0.00 1.95 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 2.23 2.26 0.00 82 I 8.54 4.93 1.91 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.11 1.24 0.00 0.00 83 R 8.01 4.03 0.00 1.45 1.38 0.00 2.73 0.00 0.00 2.91 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 84 M 8.91 5.03 0.00 2.07 2.34 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 85 L 8.70 4.87 0.00 1.63 1.78 0.94 1.27 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 86 H 8.94 4.54 0.00 2.97 3.07 0.00 5.84 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.20 3.54 0.00 0.79 1.28 0.00 1.28 0.00 0.00 0.61 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.04 1.10 7.81 88 D 8.05 4.46 0.00 2.84 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 89 G 7.58 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 0.00 0.00 0.00 90 H 9.13 4.59 0.00 3.29 3.41 0.00 5.25 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 8.08 4.82 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 1.22 0.46 0.73 0.00 0.00 92 G 8.61 4.30 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 0.00 93 W 9.17 5.41 0.00 3.31 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 94 I 9.00 5.15 1.98 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.94 0.87 0.00 0.00 95 E 9.22 4.85 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 2.17 2.21 0.00 96 S 9.21 5.37 0.00 4.09 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 97 M 9.01 5.28 0.00 2.10 1.76 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 2.51 0.00 98 C 9.62 5.37 0.00 3.29 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 99 V 9.03 4.87 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 0.93 0.00 0.00 0.97 0.00 0.00 100 P 0.00 4.68 0.00 1.42 1.84 0.00 3.82 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.94 0.00 101 I 8.49 4.22 1.84 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 1.15 0.57 0.86 0.00 0.00 102 Y 8.38 4.78 0.00 2.74 2.63 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 0.00 103 G 10.10 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 0.00 104 E 8.57 4.70 0.00 2.06 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 2.30 2.34 0.00 105 N 9.52 4.14 0.00 2.79 2.84 0.00 0.00 7.07 7.54 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 0.00 106 Y 7.87 3.17 0.00 2.84 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 0.00 107 Q 7.88 4.50 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.76 0.00 0.00 0.00 0.00 0.00 2.64 2.46 0.00 108 M 8.83 4.67 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 109 V 8.88 4.24 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 0.81 0.00 0.00 1.04 0.00 0.00 110 G 6.96 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.17 5.17 1.14 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 0.00 0.00 112 L 9.35 4.90 0.00 1.72 1.65 1.01 1.34 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 0.00 113 G 9.39 4.58 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 0.00 114 I 8.83 5.14 1.89 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 1.25 0.94 0.89 0.00 0.00 115 N 9.17 5.69 0.00 2.53 2.65 0.00 0.00 6.37 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 0.00 116 R 8.60 4.70 0.00 1.67 1.68 0.00 3.13 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 117 D 8.52 4.91 0.00 2.56 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 0.00 118 I 8.87 4.73 1.89 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 1.54 0.80 0.93 0.00 0.00 119 T 8.59 3.99 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 1.35 0.00 0.00 120 K 8.23 3.92 0.00 1.72 1.89 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.56 7.81 121 R 7.59 4.21 0.00 1.81 1.78 0.00 3.24 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00