NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1434 8.0549 114.0575 61.0427 33.0354 174.8254 2 L 4.0828 8.1674 122.0399 52.0549 42.5022 176.1534 3 S 4.4479 9.2265 117.9856 58.0733 66.0092 174.9549 4 E 4.2435 8.7989 122.4061 59.4415 29.2571 178.9824 5 G 3.6705 8.1028 105.4252 47.8013 0.0000 175.4216 6 E 3.9854 8.0405 120.4650 58.8921 29.3923 179.3678 7 W 4.3218 8.3841 119.3754 59.8062 29.0221 178.5826 8 Q 4.1312 8.3293 118.2242 58.9609 27.9974 178.7362 9 L 4.0745 7.8646 120.1004 57.6081 41.6005 179.7951 10 V 3.7442 7.8381 117.9582 66.2355 31.6437 178.1765 11 L 4.3404 8.4320 118.5592 57.5171 41.0802 178.9568 12 H 4.2499 8.5869 119.0938 59.2813 29.9864 177.7007 13 V 3.4351 7.8535 121.0002 64.3003 31.3662 178.1832 14 W 3.8309 8.3663 129.0687 60.0733 30.2886 177.7458 15 A 4.0371 8.0364 120.1684 54.9840 18.0379 179.5015 16 K 3.9137 7.4354 116.7517 59.5719 32.1003 179.5561 17 V 2.8435 7.0257 118.1103 65.7696 30.9401 177.3252 18 E 3.9940 7.4661 115.4888 57.5416 29.4293 178.2319 19 A 4.1921 7.6459 120.7882 53.7082 19.7582 177.6865 20 D 4.6597 7.7658 116.3355 52.2040 42.8980 175.5366 21 V 3.4890 7.8667 123.7558 65.9371 32.1241 176.8029 22 A 4.0520 8.0043 120.0702 55.0341 18.2499 179.7289 23 G 3.6405 8.2660 105.6710 45.3271 0.0000 175.7307 24 H 4.1411 8.2192 118.8323 58.5968 28.6900 178.1741 25 G 3.5701 8.2280 107.6732 47.6952 0.0000 175.8510 26 Q 3.8695 7.9935 120.3843 58.9187 28.7701 178.5947 27 D 4.3447 7.8948 119.7650 57.2699 40.7328 179.0097 28 I 3.6255 7.7250 120.1790 64.4307 37.0848 178.5141 29 L 3.4325 7.6350 119.7044 57.5431 41.2400 179.7231 30 I 3.5952 7.5851 119.7126 64.2005 36.9926 178.3106 31 R 3.7842 7.9184 119.5560 59.3085 29.8177 178.0358 32 L 3.9213 7.9675 120.3240 58.5339 41.8938 179.1545 33 F 4.5824 8.0773 117.6680 60.4026 38.5470 177.9890 34 K 4.0365 8.2443 117.9906 59.4686 32.0118 179.2949 35 S 4.3213 8.0603 114.5368 60.1844 64.0514 174.3788 36 H 4.6378 8.1772 118.4932 52.1041 29.4803 171.8970 37 P 4.5476 0.0000 0.0000 64.4707 30.9504 177.4740 38 E 4.1086 8.2946 116.4291 59.4948 29.4054 179.1694 39 T 3.9296 8.2600 111.2703 64.4972 68.8259 176.3501 40 L 3.5718 7.9074 123.2872 57.6692 41.8147 178.2622 41 E 4.1349 7.7841 117.2966 58.3595 29.6157 178.3307 42 K 4.3977 8.0604 116.9967 57.4892 32.5961 177.1224 43 F 4.6029 8.1109 118.8357 55.8460 39.9587 175.9829 44 D 4.4241 8.5601 125.2700 57.4313 40.4749 179.0470 45 R 3.9244 7.7995 117.1951 58.0255 30.3391 177.1339 46 F 5.0575 7.6070 114.7904 56.9748 40.4741 176.7741 47 K 4.2195 7.6592 118.7172 58.2977 32.6055 177.7847 48 H 4.3358 8.0668 114.9204 57.6159 28.9390 175.3611 49 L 4.0960 7.5680 121.2501 54.5424 41.3920 176.5761 50 K 4.2878 9.3911 124.5610 57.1673 33.4070 177.2324 51 T 4.6888 7.4887 107.7284 59.0707 72.9044 174.4516 52 E 3.8937 8.5703 120.9787 59.3138 29.6852 178.5324 53 A 3.9753 7.9444 120.3034 55.2317 18.4119 179.1951 54 E 3.9158 8.2061 116.9976 59.7684 29.3077 179.3174 55 M 3.9431 7.8125 117.3745 58.6694 32.2121 178.7727 56 K 3.9533 8.2039 116.9145 59.2266 32.2333 178.6120 57 A 4.4085 7.5283 119.1925 52.5976 18.9156 177.3241 58 S 4.1458 7.5394 113.0848 58.1942 62.6133 174.5012 59 E 4.0107 8.8561 129.3708 59.1270 29.4538 177.9626 60 D 4.4089 8.1488 117.9714 57.1650 41.3219 177.7610 61 L 3.3930 8.0462 120.9089 57.7893 42.1459 178.6817 62 K 3.7899 7.7546 119.5159 59.4326 32.1095 178.4157 63 K 3.9252 8.3386 119.9772 59.9844 32.0729 178.2168 64 H 4.4448 8.5093 118.5669 59.1369 29.8132 177.1769 65 G 3.6981 8.3960 107.9922 48.0631 0.0000 175.7567 66 V 3.6417 7.7430 120.0507 65.9143 31.5688 178.1622 67 T 3.8890 7.8111 115.5082 66.6961 68.3052 176.7647 68 V 3.6101 7.9059 120.0801 66.0986 31.5395 178.1358 69 L 4.2652 8.0700 118.6884 57.7104 41.5012 179.3721 70 T 3.9479 8.2621 113.2919 65.0081 67.4448 176.1563 71 A 4.0133 8.0069 122.7261 55.0570 18.3495 179.3357 72 L 3.7599 8.1338 118.9659 58.1469 42.1387 179.3606 73 G 3.1905 8.4037 105.7362 47.7416 0.0000 175.5313 74 A 4.0397 7.8450 122.0187 54.5482 18.6006 179.7350 75 I 3.7806 7.4310 118.1805 64.5986 37.2937 178.2908 76 L 3.9296 7.7921 120.0489 57.9299 41.5039 179.6630 77 K 4.0504 7.6142 115.3949 57.9937 32.2399 177.9960 78 K 3.9344 7.9412 118.3058 56.2260 32.8901 176.4670 79 K 2.0000 7.9735 117.8284 56.5044 29.3800 176.2256 80 G 3.9486 7.6165 105.7765 46.4519 0.0000 173.3661 81 H 4.5251 7.6072 118.4737 55.8029 27.5581 175.0971 82 H 5.1870 7.2296 109.6514 54.6098 29.7664 176.9612 83 E 3.9569 8.5045 120.8354 60.6058 29.0755 178.8756 84 A 4.0533 7.9177 118.4922 55.0424 17.5728 178.9290 85 E 4.1326 8.0814 116.7264 59.0847 29.8164 178.6556 86 L 4.2386 8.1574 120.3045 57.2282 42.1682 178.7800 87 K 3.9041 8.0055 119.8910 59.1773 32.2352 177.0324 88 P 4.2795 0.0000 0.0000 65.3592 31.1088 178.4263 89 L 4.0215 7.4892 116.3136 58.1766 42.0810 178.9437 90 A 4.1205 8.2248 120.8124 54.9852 18.2096 179.6640 91 Q 3.8639 8.2550 116.9595 59.2044 28.8730 179.1926 92 S 3.9796 8.1574 115.2169 61.8402 63.0401 176.1501 93 H 4.4619 8.7561 119.5956 57.8090 28.1886 177.7377 94 A 2.9025 7.6111 122.4773 54.6583 18.3704 178.9914 95 T 3.6950 7.3086 106.1316 62.8296 69.6602 175.7521 96 K 4.0905 7.3985 120.8978 58.5813 32.9370 177.2577 97 H 4.2207 8.1396 115.3493 56.4973 29.3780 175.6263 98 K 3.6501 7.6112 116.8549 57.2559 28.5386 176.3704 99 I 4.1869 8.1565 119.0028 58.7774 38.2323 174.9362 100 P 4.5223 0.0000 0.0000 62.8001 31.9939 177.8120 101 I 3.5379 8.4563 121.6489 64.2905 36.8731 178.7151 102 K 3.6452 7.9384 120.0939 59.8172 31.8445 178.2426 103 Y 4.0570 7.9520 116.8053 60.8126 37.7498 178.3110 104 L 4.1386 7.8874 120.2131 57.4910 41.6431 179.0617 105 E 3.9658 7.9014 119.0103 59.2436 29.6614 178.6041 106 F 4.4906 7.7810 117.8408 60.8979 38.9444 177.5738 107 I 3.9104 8.2884 118.0126 63.6624 37.7459 178.0425 108 S 4.1687 8.2650 116.4882 61.8039 62.6750 176.4027 109 E 4.0632 8.3512 120.9018 59.3456 29.1690 179.3774 110 A 4.0144 8.1461 120.8315 55.2256 18.4032 179.6805 111 I 3.6771 8.1026 118.6426 64.7539 37.2883 178.8182 112 I 3.8574 7.8873 120.5615 64.2845 36.9154 177.8414 113 H 4.1099 8.4956 119.4053 59.4735 29.7346 177.5630 114 V 3.5310 7.8479 119.8988 65.8581 31.4200 177.9016 115 L 3.7792 7.9633 118.9949 57.8760 41.0239 179.0688 116 H 4.4171 7.7175 117.1568 59.4140 29.9370 177.1555 117 S 4.1273 7.9107 115.9640 61.2974 62.7327 176.2127 118 R 4.2107 7.6105 118.5151 56.8589 31.1933 176.2882 119 H 5.0005 8.0022 116.5580 53.5577 30.0950 173.1435 120 P 4.2675 0.0000 0.0000 66.1037 31.1650 178.9798 121 G 3.5790 8.1654 106.1839 47.3318 0.0000 173.6059 122 D 4.9138 8.2397 117.4931 54.0588 41.8651 176.1903 123 F 4.9483 8.2664 120.4978 56.5402 39.4766 174.2086 124 G 3.8774 7.5706 109.3779 44.0233 0.0000 171.9192 125 A 3.9655 8.3924 120.8302 55.1273 18.2665 179.6115 126 D 4.2905 7.9130 117.0606 56.3577 39.5732 178.6084 127 A 3.8817 7.6829 121.7163 54.8824 18.4275 179.0713 128 Q 3.2152 7.8220 118.6017 58.9079 28.9931 178.7952 129 G 3.5352 8.3693 106.7686 47.8509 0.0000 175.4841 130 A 3.8735 7.9132 123.7039 54.8648 18.3201 179.4354 131 M 4.0006 8.3159 116.9674 58.6081 32.2723 177.8589 132 N 4.2940 8.4488 117.5325 56.7171 39.1676 176.7971 133 K 3.8307 8.0398 119.4884 59.4920 32.1548 179.0993 134 A 3.8798 7.9736 120.8902 55.2297 18.2491 179.7519 135 L 4.0551 8.1789 117.5768 57.8523 41.6114 179.5262 136 E 3.9873 8.5877 119.0610 59.3299 29.4265 179.1233 137 L 3.9737 8.1135 120.3304 58.0172 42.1509 178.6784 138 F 4.1059 8.2814 120.5532 61.5515 39.2550 177.3691 139 R 3.6336 8.2793 117.6673 58.9875 29.8650 179.0595 140 K 3.8824 8.2058 119.5736 59.5818 32.0855 178.7478 141 D 4.3633 8.1559 119.2005 57.1732 40.6066 178.8518 142 I 3.4880 7.4597 120.3592 64.1206 36.9539 178.2831 143 A 3.6812 8.0822 121.7731 54.8331 18.1424 179.5644 144 A 3.9280 7.8673 119.2971 55.3528 18.4711 180.0826 145 K 4.0120 7.8838 116.9834 59.6701 32.0261 179.1473 146 Y 4.1892 8.4289 117.3862 61.0956 37.7760 178.7700 147 K 3.9959 8.4092 120.5603 59.3058 32.0916 178.1373 148 E 3.9264 7.8965 118.5601 59.6000 29.6728 178.5883 149 L 4.3689 7.7246 115.6282 55.4566 41.9004 177.7785 150 G 3.8243 7.8724 107.1330 45.4661 0.0000 172.5657 151 Y 3.9035 7.9227 118.1307 57.6029 38.7202 177.2232 152 Q 3.0109 8.1910 117.8716 57.1436 27.0351 175.3135 153 G 3.7267 8.2063 115.1969 45.7301 0.0000 170.8446 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 V 8.05 4.14 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 0.93 0.00 0.00 0.96 0.00 0.00 2 L 8.17 4.08 0.00 0.60 0.70 0.53 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.23 4.45 0.00 4.01 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 4 E 8.80 4.24 0.00 2.19 2.05 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 2.43 2.51 0.00 5 G 8.10 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 6 E 8.04 3.99 0.00 1.96 1.74 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 2.22 2.26 0.00 7 W 8.38 4.32 0.00 3.56 3.20 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 8 Q 8.33 4.13 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 9 L 7.86 4.07 0.00 1.81 1.76 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.84 3.74 2.46 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 1.22 0.00 0.00 0.89 0.00 0.00 11 L 8.43 4.34 0.00 1.87 1.82 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.59 4.25 0.00 3.46 3.54 0.00 5.78 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 13 V 7.85 3.44 2.29 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 0.92 0.00 0.00 0.83 0.00 0.00 14 W 8.37 3.83 0.00 3.69 3.20 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 15 A 8.04 4.04 1.39 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 0.00 0.00 16 K 7.44 3.91 0.00 1.79 1.49 0.00 1.43 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.39 7.81 17 V 7.03 2.84 0.77 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 -0.05 0.00 0.00 0.21 0.00 0.00 18 E 7.47 3.99 0.00 2.05 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 2.06 2.28 0.00 19 A 7.65 4.19 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 20 D 7.77 4.66 0.00 2.71 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 21 V 7.87 3.49 2.05 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 1.06 0.00 0.00 0.89 0.00 0.00 22 A 8.00 4.05 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 23 G 8.27 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 24 H 8.22 4.14 0.00 3.31 3.21 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.23 3.57 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 0.00 0.00 0.00 26 Q 7.99 3.87 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.59 0.00 27 D 7.89 4.34 0.00 2.74 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 28 I 7.72 3.63 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.72 0.87 0.00 0.00 29 L 7.63 3.43 0.00 1.36 0.96 0.77 0.58 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 30 I 7.59 3.60 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.70 0.87 0.00 0.00 31 R 7.92 3.78 0.00 1.91 2.14 0.00 3.07 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 32 L 7.97 3.92 0.00 1.71 1.44 1.06 0.93 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 33 F 8.08 4.58 0.00 3.11 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 34 K 8.24 4.04 0.00 1.68 1.83 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.71 1.60 7.81 35 S 8.06 4.32 0.00 3.77 3.62 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 36 H 8.18 4.64 0.00 3.02 2.92 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.55 0.00 2.15 2.09 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 38 E 8.29 4.11 0.00 2.28 2.29 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 2.24 2.51 0.00 39 T 8.26 3.93 4.51 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 0.00 0.00 0.00 0.91 0.00 0.00 40 L 7.91 3.57 0.00 1.52 1.73 -0.18 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.78 4.13 0.00 2.12 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 2.37 2.44 0.00 42 K 8.06 4.40 0.00 1.94 1.64 0.00 1.91 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.74 1.86 7.81 43 F 8.11 4.60 0.00 3.19 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 D 8.56 4.42 0.00 2.64 2.69 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 45 R 7.80 3.92 0.00 0.77 1.14 0.00 3.19 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 46 F 7.61 5.06 0.00 2.83 2.68 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 0.00 0.00 0.00 0.00 47 K 7.66 4.22 0.00 1.98 1.94 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.78 1.40 7.81 48 H 8.07 4.34 0.00 3.29 3.48 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.57 4.10 0.00 1.61 1.58 0.83 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.39 4.29 0.00 1.68 1.84 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.50 7.81 51 T 7.49 4.69 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 1.20 0.00 0.00 52 E 8.57 3.89 0.00 2.04 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 2.35 2.36 0.00 53 A 7.94 3.98 1.31 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 54 E 8.21 3.92 0.00 2.19 2.01 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 2.34 2.36 0.00 55 M 7.81 3.94 0.00 1.97 2.30 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.57 0.00 56 K 8.20 3.95 0.00 1.80 1.86 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.70 7.81 57 A 7.53 4.41 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 58 S 7.54 4.15 0.00 3.86 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 59 E 8.86 4.01 0.00 2.14 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 2.39 2.45 0.00 60 D 8.15 4.41 0.00 2.97 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 61 L 8.05 3.39 0.00 1.26 1.59 0.19 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.75 3.79 0.00 1.78 2.00 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.43 7.81 63 K 8.34 3.93 0.00 2.19 1.91 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.50 7.81 64 H 8.51 4.44 0.00 3.68 3.56 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.40 3.70 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 0.00 0.00 0.00 66 V 7.74 3.64 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 1.04 0.00 0.00 0.98 0.00 0.00 67 T 7.81 3.89 4.44 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 1.29 0.00 0.00 68 V 7.91 3.61 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 1.08 0.00 0.00 0.96 0.00 0.00 69 L 8.07 4.27 0.00 1.81 1.86 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.26 3.95 4.36 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 1.33 0.00 0.00 71 A 8.01 4.01 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 72 L 8.13 3.76 0.00 1.73 1.75 0.19 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.40 3.19 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 0.00 0.00 0.00 0.00 74 A 7.85 4.04 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 75 I 7.43 3.78 1.93 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.94 0.96 0.00 0.00 76 L 7.79 3.93 0.00 1.15 1.55 -0.02 0.85 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 77 K 7.61 4.05 0.00 1.67 1.79 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.41 7.81 78 K 7.94 3.93 0.00 1.86 1.84 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.63 1.71 7.81 79 K 7.97 2.00 0.00 1.30 0.74 0.00 1.56 0.00 0.00 1.41 0.00 0.00 2.74 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.42 0.75 7.81 80 G 7.62 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 0.00 0.00 0.00 81 H 7.61 4.53 0.00 3.20 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.23 5.19 0.00 3.26 3.45 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.50 3.96 0.00 2.08 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 0.00 2.40 2.46 0.00 84 A 7.92 4.05 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 85 E 8.08 4.13 0.00 2.22 2.02 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 2.39 2.42 0.00 86 L 8.16 4.24 0.00 1.77 1.68 0.72 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.01 3.90 0.00 2.03 1.79 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.63 7.81 88 P 0.00 4.28 0.00 2.22 2.11 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 89 L 7.49 4.02 0.00 1.73 1.85 1.07 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.22 4.12 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 91 Q 8.26 3.86 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 92 S 8.16 3.98 0.00 3.96 4.12 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 93 H 8.76 4.46 0.00 3.48 3.56 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.61 2.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.31 3.69 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 1.00 0.00 0.00 96 K 7.40 4.09 0.00 1.55 1.65 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.15 1.33 7.81 97 H 8.14 4.22 0.00 2.96 3.19 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.61 3.65 0.00 1.86 1.83 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.36 7.81 99 I 8.16 4.19 2.04 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 1.35 0.96 1.08 0.00 0.00 100 P 0.00 4.52 0.00 1.64 1.77 0.00 2.47 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 1.10 1.80 0.00 101 I 8.46 3.54 1.77 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.90 0.75 0.00 0.00 102 K 7.94 3.65 0.00 1.75 1.69 0.00 1.58 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 0.73 7.81 103 Y 7.95 4.06 0.00 3.19 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 0.00 104 L 7.89 4.14 0.00 1.83 1.84 0.65 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.90 3.97 0.00 1.95 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 0.00 2.45 2.43 0.00 106 F 7.78 4.49 0.00 3.23 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 0.00 107 I 8.29 3.91 2.01 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 1.56 1.65 1.06 0.00 0.00 108 S 8.26 4.17 0.00 4.19 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 0.00 109 E 8.35 4.06 0.00 2.30 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 2.64 2.60 0.00 110 A 8.15 4.01 1.43 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 0.00 0.00 0.00 111 I 8.10 3.68 2.09 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 1.57 0.82 1.01 0.00 0.00 112 I 7.89 3.86 2.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.25 1.14 0.00 0.00 113 H 8.50 4.11 0.00 3.39 3.50 0.00 5.78 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 0.00 114 V 7.85 3.53 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 0.89 0.00 0.00 0.99 0.00 0.00 115 L 7.96 3.78 0.00 0.70 0.41 0.63 0.85 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 0.00 116 H 7.72 4.42 0.00 3.54 3.53 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.91 4.13 0.00 3.90 3.82 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 0.00 118 R 7.61 4.21 0.00 1.47 1.53 0.00 2.67 0.00 0.00 2.83 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.58 0.00 119 H 8.00 5.00 0.00 3.22 3.21 0.00 5.65 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.27 0.00 2.21 2.30 0.00 3.59 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 121 G 8.17 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 0.00 122 D 8.24 4.91 0.00 2.75 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 0.00 123 F 8.27 4.95 0.00 3.04 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 0.00 124 G 7.57 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 0.00 0.00 0.00 125 A 8.39 3.97 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 0.00 126 D 7.91 4.29 0.00 2.83 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 0.00 127 A 7.68 3.88 1.22 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 0.00 0.00 0.00 128 Q 7.82 3.22 0.00 1.47 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 129 G 8.37 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 0.00 0.00 0.00 130 A 7.91 3.87 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 0.00 131 M 8.32 4.00 0.00 2.53 2.48 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.84 0.00 132 N 8.45 4.29 0.00 2.97 2.93 0.00 0.00 7.22 7.46 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 0.00 133 K 8.04 3.83 0.00 1.87 1.68 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.52 7.81 134 A 7.97 3.88 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 0.00 135 L 8.18 4.06 0.00 1.87 1.79 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.59 3.99 0.00 2.17 2.01 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 2.35 2.60 0.00 137 L 8.11 3.97 0.00 1.83 1.99 0.99 0.98 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 0.00 138 F 8.28 4.11 0.00 3.17 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 0.00 139 R 8.28 3.63 0.00 2.14 1.89 0.00 3.13 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 1.65 1.88 0.00 140 K 8.21 3.88 0.00 1.90 1.94 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.45 7.81 141 D 8.16 4.36 0.00 2.68 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 0.00 142 I 7.46 3.49 1.46 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.15 0.27 0.00 0.00 143 A 8.08 3.68 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 0.00 144 A 7.87 3.93 1.39 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 0.00 0.00 145 K 7.88 4.01 0.00 2.03 1.95 0.00 1.57 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.54 7.81 146 Y 8.43 4.19 0.00 3.07 3.23 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 0.00 147 K 8.41 4.00 0.00 1.98 1.99 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 148 E 7.90 3.93 0.00 2.05 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 0.00 2.35 2.39 0.00 149 L 7.72 4.37 0.00 1.85 1.93 0.87 1.14 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 0.00 150 G 7.87 3.82 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 0.00 0.00 0.00 151 Y 7.92 3.90 0.00 2.84 2.68 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 0.00 0.00 0.00 0.00 152 Q 8.19 3.01 0.00 2.25 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 153 G 8.21 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 0.00 0.00 0.00