NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4902 8.2893 120.3529 55.7180 33.4324 174.2720 2 E 4.8031 8.2454 120.0785 54.6831 32.4821 172.5031 3 A 4.7891 8.5578 123.4357 50.0061 22.6477 176.4800 4 K 5.3084 8.6481 118.7493 54.2688 36.6630 175.0069 5 A 4.6614 7.9888 119.5604 50.8342 22.6351 175.3548 6 I 4.7394 8.2384 121.3104 59.5564 40.8159 175.0189 7 A 4.4739 9.0498 130.6456 50.5718 19.8106 175.4922 8 R 4.2867 8.3223 120.2727 56.4667 31.5291 176.4697 9 Y 3.9670 8.2893 119.4333 59.4523 34.7902 169.8494 10 V 3.6273 8.0922 119.3121 62.8449 33.1917 175.4384 11 R 4.7310 8.0561 127.5805 54.2373 28.3479 174.1423 12 I 4.3403 7.5475 119.3829 59.3158 42.1875 173.5711 13 S 4.2108 8.6671 123.9562 57.5030 62.8893 172.1028 14 P 4.1695 0.0000 0.0000 65.2716 30.5146 178.2660 15 R 3.8453 7.9016 116.3596 59.5773 29.8849 177.9900 16 K 3.8838 8.0272 117.0898 59.7886 32.3975 178.3547 17 V 3.7963 7.8240 118.1634 65.9695 31.4151 177.8259 18 R 3.9210 8.6010 118.2457 59.6550 29.5165 178.4570 19 L 3.9690 7.6131 117.4729 57.9691 41.6706 179.4174 20 V 3.8249 8.1132 110.2811 62.1555 31.5152 177.8658 21 V 3.8109 7.9101 118.5802 64.7059 31.3726 176.9135 22 D 4.5307 7.4848 116.8165 55.8749 40.9139 177.2256 23 L 4.4100 7.2032 119.3786 55.7775 42.2888 176.7432 24 I 4.6446 7.1533 108.6992 60.9991 39.1311 175.2256 25 R 3.9242 7.9918 121.6426 57.6237 30.4355 178.1238 26 G 4.1303 8.4930 111.1348 46.2059 0.0000 174.3203 27 K 4.3669 7.6579 119.4382 55.3837 33.2322 176.3547 28 S 4.5527 8.3495 114.6470 58.3586 63.5176 175.1527 29 L 4.0740 8.5043 129.6238 58.2092 41.5609 179.1348 30 E 4.0090 8.1586 119.1079 58.9525 29.6788 177.7174 31 E 3.9612 8.1579 118.6467 59.2925 29.6981 178.1199 32 A 4.0031 8.7274 120.8144 55.6892 18.3678 179.5090 33 R 3.8268 7.6128 115.3785 59.5990 30.2055 178.8387 34 N 4.3008 8.0669 115.7356 56.8522 38.4879 177.1991 35 I 3.6725 7.4805 119.1918 64.8089 37.5280 177.6564 36 L 4.0916 8.2733 119.2108 58.1594 41.4106 179.5185 37 R 3.7290 7.4695 116.8747 58.8837 29.8373 176.4958 38 Y 4.7202 7.6076 114.1155 57.8718 38.5164 175.2274 39 T 4.4632 8.0340 117.9668 62.1762 69.7684 175.9358 40 N 4.7428 8.5357 127.9378 51.8056 37.6607 173.7717 41 K 4.6741 7.3642 119.3504 54.4433 36.7156 177.5190 42 R 3.8406 8.8497 122.5749 59.4390 30.6156 178.7454 43 G 3.9652 8.7215 106.4600 49.5070 0.0000 175.2928 44 A 3.8950 7.6908 122.2717 54.7400 18.5395 178.7772 45 Y 3.8508 7.5286 116.8220 60.9850 38.7338 178.5809 46 F 4.2855 8.1220 118.6919 60.5952 39.1261 177.6015 47 V 3.5749 8.0315 117.0448 66.6061 31.1454 177.0135 48 A 3.8556 8.6945 119.9512 55.4681 17.9513 179.6048 49 K 3.7956 7.8473 114.3774 59.4589 32.2978 179.1097 50 V 3.5049 7.8619 118.0198 66.6613 31.4465 177.1089 51 L 3.7594 8.2302 119.5030 58.4546 41.6077 178.1557 52 E 3.8550 8.7574 118.5903 59.6641 29.5926 179.5447 53 S 3.9845 8.3343 112.6418 61.4653 62.5287 175.6915 54 A 3.9161 8.5715 123.5082 55.9724 18.0100 178.6216 55 A 3.9104 8.5720 119.2403 54.5455 18.3045 179.2265 56 A 3.9211 8.6378 117.5098 55.2702 18.6461 179.6905 57 N 4.2292 8.4462 114.6402 56.4269 38.5680 177.1539 58 A 3.9889 7.9999 122.1095 55.3761 18.2211 179.8188 59 V 3.4991 7.4449 114.7809 66.4833 31.8275 177.8519 60 N 4.5335 8.7335 115.0465 55.1573 38.5402 175.6620 61 N 4.8798 8.7310 115.4011 53.5013 40.4834 174.8998 62 H 4.8194 7.9463 113.2856 55.1852 30.8502 173.5845 63 D 4.3460 7.9778 114.9023 55.8531 37.5338 172.7757 64 M 5.0950 8.3080 118.6731 53.7932 34.2738 174.1413 65 L 3.6594 7.8520 120.4187 54.4276 37.7575 174.2319 66 E 3.3906 7.8725 119.0918 59.1603 30.3729 177.9871 67 D 4.4922 8.2308 121.5249 55.1244 40.3428 177.4776 68 R 4.6494 8.9156 120.1118 55.9249 32.3288 174.7155 69 L 5.5227 7.6212 119.4022 55.3283 43.4038 174.8805 70 Y 5.2989 9.2337 117.7661 55.1933 42.6009 174.9398 71 V 3.7908 8.8327 120.1173 62.3458 30.3271 176.1166 72 K 3.1800 7.8987 127.4190 58.4620 32.2503 175.9717 73 A 4.8267 8.3083 119.9867 50.8502 23.0152 174.4801 74 A 4.9188 8.3211 120.3937 51.0499 22.3291 175.2455 75 Y 4.8915 8.3569 118.0559 56.0579 41.9006 173.6410 76 V 4.8417 8.4967 120.2554 60.3141 33.7970 175.0036 77 D 4.8395 8.8104 125.1417 53.1163 43.4493 174.7421 78 E 4.7207 8.5000 121.0087 54.9133 30.7951 176.2467 79 G 3.7962 8.2792 116.8218 45.2160 0.0000 170.8475 80 P 4.8804 0.0000 0.0000 63.3828 32.3966 174.7273 81 A 4.8740 8.3363 118.7417 51.3362 22.3755 176.6083 82 L 4.3963 9.0904 122.3458 53.4524 42.9177 176.1174 83 K 4.7572 8.5807 124.5393 55.8650 33.1135 176.8306 84 R 4.7326 9.2374 123.6679 54.3469 34.2069 174.5914 85 V 4.6631 8.2132 119.7042 61.4375 33.6433 174.8741 86 L 4.6765 9.0438 128.3222 52.4884 44.8240 173.7329 87 P 4.6368 0.0000 0.0000 62.7092 32.0410 176.0228 88 R 4.7320 8.5990 123.8147 53.6912 33.6747 174.7271 89 A 4.2658 8.6705 124.6425 53.3655 18.7819 177.0181 90 R 3.7121 9.2196 115.4064 57.6091 27.9647 176.5296 91 G 3.9701 8.1254 99.8565 46.8039 0.0000 175.7578 92 R 3.7053 7.9996 119.4342 58.5811 30.5929 172.6134 93 A 3.7743 8.0722 131.9827 51.8541 16.3022 176.3864 94 D 5.0320 9.1790 122.2658 53.5611 44.3291 176.2846 95 I 5.1264 8.0738 114.3566 58.5099 38.0031 173.6422 96 I 4.0884 8.0647 130.3455 60.8354 39.3825 173.8966 97 K 4.9571 8.5046 129.0781 54.9880 34.2982 176.2393 98 K 4.1917 9.6834 127.0361 56.1238 32.2502 176.9559 99 R 4.4449 8.5284 124.8458 56.2041 31.9037 175.7411 100 T 4.8961 8.1841 115.9609 60.5174 70.8454 172.9239 101 S 5.1155 8.8078 123.0991 57.2301 67.0653 173.0066 102 H 5.1602 9.0870 119.0237 54.0670 30.4881 172.2581 103 I 4.2002 8.5926 124.6086 60.9184 38.3256 174.9469 104 T 4.7728 8.5354 124.7144 61.5233 71.4027 173.9662 105 V 4.4961 8.3581 125.5024 61.2183 34.8296 173.7203 106 I 4.7958 9.0049 123.0849 59.1795 39.7128 175.1250 107 L 4.7104 9.4152 128.1057 53.7607 43.9462 175.7531 108 G 4.6489 8.6790 107.7386 45.0092 0.0000 170.7751 109 E 5.3478 8.6888 118.2033 54.2962 32.0149 176.5943 110 K 4.1411 9.2422 125.2323 55.6359 32.9807 176.5449 111 H 3.9474 8.6989 117.2027 58.7511 28.0742 177.0068 112 G 3.8513 7.4933 105.9641 44.7896 0.0000 173.2079 113 K 4.1099 7.5152 126.1799 56.4427 32.1103 176.5366 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 8.29 4.49 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 2 E 8.25 4.80 0.00 2.14 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 2.18 2.35 0.00 3 A 8.56 4.79 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.65 5.31 0.00 1.64 1.71 0.00 1.18 0.00 0.00 2.61 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.21 7.81 5 A 7.99 4.66 1.18 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 0.00 0.00 6 I 8.24 4.74 1.80 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 1.17 0.63 0.80 0.00 0.00 7 A 9.05 4.47 1.20 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 0.00 0.00 0.00 8 R 8.32 4.29 0.00 1.55 1.11 0.00 3.06 0.00 0.00 2.51 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.47 0.00 9 Y 8.29 3.97 0.00 3.18 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 10 V 8.09 3.63 1.76 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 -0.27 0.00 0.00 0.75 0.00 0.00 11 R 8.06 4.73 0.00 1.84 1.83 0.00 3.50 0.00 0.00 3.16 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 12 I 7.55 4.34 1.80 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.78 0.72 0.00 0.00 13 S 8.67 4.21 0.00 3.90 3.73 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 0.00 0.00 0.00 0.00 14 P 0.00 4.17 0.00 2.19 2.08 0.00 3.96 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 2.29 2.01 0.00 15 R 7.90 3.85 0.00 1.88 1.97 0.00 3.20 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 16 K 8.03 3.88 0.00 1.91 1.89 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.61 7.81 17 V 7.82 3.80 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 1.14 0.00 0.00 1.04 0.00 0.00 18 R 8.60 3.92 0.00 2.00 2.03 0.00 3.31 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 19 L 7.61 3.97 0.00 1.96 1.77 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.11 3.82 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 0.87 0.00 0.00 1.08 0.00 0.00 21 V 7.91 3.81 2.23 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 1.04 0.00 0.00 0.99 0.00 0.00 22 D 7.48 4.53 0.00 2.81 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 23 L 7.20 4.41 0.00 1.76 1.77 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.15 4.64 1.87 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 1.17 0.71 0.92 0.00 0.00 25 R 7.99 3.92 0.00 1.88 1.85 0.00 3.32 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 26 G 8.49 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 0.00 0.00 0.00 27 K 7.66 4.37 0.00 2.02 1.77 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.59 7.81 28 S 8.35 4.55 0.00 3.98 3.95 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 0.00 0.00 0.00 29 L 8.50 4.07 0.00 1.88 1.76 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.16 4.01 0.00 2.13 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 2.31 2.32 0.00 31 E 8.16 3.96 0.00 2.17 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 2.41 2.41 0.00 32 A 8.73 4.00 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 33 R 7.61 3.83 0.00 2.13 1.97 0.00 3.14 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.06 0.00 34 N 8.07 4.30 0.00 2.79 3.02 0.00 0.00 7.11 7.37 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 35 I 7.48 3.67 2.08 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 0.72 0.94 0.00 0.00 36 L 8.27 4.09 0.00 1.75 1.68 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.47 3.73 0.00 1.54 2.00 0.00 2.73 0.00 0.00 2.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 38 Y 7.61 4.72 0.00 3.06 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 39 T 8.03 4.46 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 1.23 0.00 0.00 40 N 8.54 4.74 0.00 2.70 2.77 0.00 0.00 7.02 6.68 0.00 0.00 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 7.36 4.67 0.00 1.79 1.65 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.39 7.81 42 R 8.85 3.84 0.00 1.88 1.97 0.00 3.19 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.72 0.00 43 G 8.72 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 44 A 7.69 3.89 1.42 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 0.00 0.00 45 Y 7.53 3.85 0.00 2.91 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 46 F 8.12 4.29 0.00 3.29 3.02 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 47 V 8.03 3.57 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 1.05 0.00 0.00 0.98 0.00 0.00 48 A 8.69 3.86 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 49 K 7.85 3.80 0.00 1.94 1.78 0.00 1.48 0.00 0.00 1.50 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.18 0.96 7.81 50 V 7.86 3.50 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 0.91 0.00 0.00 0.94 0.00 0.00 51 L 8.23 3.76 0.00 1.77 1.74 0.89 0.73 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 52 E 8.76 3.86 0.00 2.03 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 2.27 2.37 0.00 53 S 8.33 3.98 0.00 3.95 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 54 A 8.57 3.92 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 55 A 8.57 3.91 1.34 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 0.00 0.00 56 A 8.64 3.92 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 57 N 8.45 4.23 0.00 2.90 2.91 0.00 0.00 6.87 8.04 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 58 A 8.00 3.99 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 59 V 7.44 3.50 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 0.87 0.00 0.00 0.95 0.00 0.00 60 N 8.73 4.53 0.00 2.77 2.86 0.00 0.00 7.00 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 61 N 8.73 4.88 0.00 2.75 2.60 0.00 0.00 6.76 8.08 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 62 H 7.95 4.82 0.00 3.04 3.25 0.00 6.03 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.98 4.35 0.00 2.74 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 64 M 8.31 5.10 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 65 L 7.85 3.66 0.00 1.86 1.91 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.87 3.39 0.00 2.00 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 0.00 2.39 2.36 0.00 67 D 8.23 4.49 0.00 2.82 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 68 R 8.92 4.65 0.00 1.82 1.96 0.00 3.05 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 69 L 7.62 5.52 0.00 1.90 1.91 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 9.23 5.30 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.83 3.79 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 0.78 0.00 0.00 0.97 0.00 0.00 72 K 7.90 3.18 0.00 1.54 1.81 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.49 7.81 73 A 8.31 4.83 1.24 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 0.00 0.00 74 A 8.32 4.92 1.13 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 0.00 0.00 75 Y 8.36 4.89 0.00 2.92 3.04 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 76 V 8.50 4.84 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 0.80 0.00 0.00 0.92 0.00 0.00 77 D 8.81 4.84 0.00 2.74 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 78 E 8.50 4.72 0.00 1.94 1.82 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 2.18 2.39 0.00 79 G 8.28 3.80 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 0.00 0.00 0.00 80 P 0.00 4.88 0.00 2.17 2.34 0.00 4.03 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.17 0.00 81 A 8.34 4.87 1.20 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 0.00 0.00 0.00 82 L 9.09 4.40 0.00 1.61 1.62 1.02 0.90 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 83 K 8.58 4.76 0.00 1.64 1.75 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.47 7.81 84 R 9.24 4.73 0.00 1.87 1.80 0.00 3.15 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 85 V 8.21 4.66 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 0.76 0.00 0.00 0.93 0.00 0.00 86 L 9.04 4.68 0.00 1.70 1.47 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.64 0.00 1.98 1.98 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 88 R 8.60 4.73 0.00 1.90 1.75 0.00 3.25 0.00 0.00 3.47 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 89 A 8.67 4.27 1.25 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 0.00 0.00 0.00 90 R 9.22 3.71 0.00 1.93 2.00 0.00 3.36 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 91 G 8.13 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 92 R 8.00 3.71 0.00 2.00 1.95 0.00 3.35 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 93 A 8.07 3.77 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 94 D 9.18 5.03 0.00 2.58 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.07 5.13 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 1.21 1.65 0.91 0.00 0.00 96 I 8.06 4.09 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 1.40 1.09 0.95 0.00 0.00 97 K 8.50 4.96 0.00 1.78 1.80 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.44 7.81 98 K 9.68 4.19 0.00 1.64 1.83 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.57 7.81 99 R 8.53 4.44 0.00 1.77 1.83 0.00 3.07 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.62 0.00 100 T 8.18 4.90 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 1.23 0.00 0.00 101 S 8.81 5.12 0.00 3.69 3.66 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 0.00 102 H 9.09 5.16 0.00 3.03 3.06 0.00 5.63 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.59 4.20 1.81 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 1.20 0.58 0.86 0.00 0.00 104 T 8.54 4.77 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 0.73 0.00 0.00 105 V 8.36 4.50 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 0.90 0.00 0.00 0.82 0.00 0.00 106 I 9.00 4.80 1.82 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 1.30 0.68 0.86 0.00 0.00 107 L 9.42 4.71 0.00 1.71 1.57 0.86 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.68 4.65 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 0.00 0.00 0.00 109 E 8.69 5.35 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 2.33 2.33 0.00 110 K 9.24 4.14 0.00 1.69 1.53 0.00 1.13 0.00 0.00 1.25 0.00 0.00 3.02 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.41 7.81 111 H 8.70 3.95 0.00 3.31 3.51 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.49 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 113 K 7.52 4.11 0.00 1.78 1.74 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.54 7.81