NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4386 8.2644 123.5878 52.2273 20.2326 175.8724 2 T 4.2386 8.1103 118.1124 60.9699 68.8397 171.9247 3 K 5.2844 9.0671 128.2369 54.7152 36.7166 174.2937 4 A 5.3402 9.1832 123.8244 50.4760 23.3126 175.2962 5 V 5.0222 8.7507 117.6514 60.4912 35.6610 173.8023 6 C 4.9833 9.3923 122.6449 57.9679 34.8294 172.6788 7 V 4.6101 8.4699 126.4695 61.5204 32.7054 174.2121 8 L 4.8111 8.7149 129.7600 53.9922 42.9894 176.4119 9 K 4.8135 9.2529 122.4059 55.6528 37.1129 176.2674 10 G 4.2716 7.9132 108.6659 45.5548 0.0000 172.2190 11 D 4.4911 8.8820 118.3989 56.3065 41.7433 176.9184 12 G 4.2140 7.6732 109.4103 44.4027 0.0000 171.8912 13 P 4.5316 0.0000 0.0000 62.7895 32.0419 175.3456 14 V 4.0695 7.5283 120.3469 63.2580 31.8771 175.1419 15 Q 4.8208 9.1192 126.4704 54.6826 33.5751 174.1640 16 G 4.4260 8.4666 107.8536 45.9871 0.0000 172.0798 17 I 5.1849 8.4500 119.9151 59.4802 41.3715 174.9326 18 I 4.7802 9.0553 127.1469 59.4937 40.7997 174.2749 19 N 5.0843 8.4474 123.7032 51.3405 41.4056 173.7846 20 F 5.4028 9.1189 119.9581 55.8121 43.2883 173.8222 21 E 5.1151 9.7334 123.4022 54.7949 33.1732 173.5424 22 Q 4.8849 8.9323 128.0281 54.3476 30.7473 176.0858 23 K 4.0800 8.9367 127.3102 58.2946 32.8517 177.2674 24 E 4.7163 7.7696 117.7779 53.4789 32.7197 174.4966 25 S 4.2562 8.6108 118.4585 59.7463 62.6649 173.6822 26 N 4.1713 9.0078 124.1150 54.0261 37.4653 173.8292 27 G 4.0026 7.7605 106.0185 44.1095 0.0000 171.6931 28 P 4.5914 0.0000 0.0000 62.2434 32.1538 176.4563 29 V 4.5758 9.6953 124.5044 61.2648 33.5719 174.6864 30 K 4.8622 9.3572 128.6868 55.9683 33.5467 175.9757 31 V 4.8181 9.5753 126.4121 60.7796 34.1038 174.2402 32 W 5.1512 7.9599 123.6538 55.0245 31.7166 175.3341 33 G 3.8049 7.6418 107.2119 46.3460 0.0000 170.9383 34 S 5.0732 7.8113 114.0858 56.8360 66.7499 174.4482 35 I 5.2228 8.6530 125.3699 59.4245 40.9302 174.5968 36 K 4.8172 9.8462 126.6507 55.6453 36.0558 176.9234 37 G 4.0882 8.7683 106.9566 46.8397 0.0000 173.4067 38 L 4.4531 7.6424 119.6966 53.0428 42.9808 176.5149 39 T 4.3457 8.1833 111.7894 60.9972 69.5760 174.0683 40 E 4.0937 8.6465 124.8531 57.8421 30.2917 175.1794 41 G 3.7445 8.6275 110.4458 43.8375 0.0000 172.3563 42 L 4.7897 8.1680 118.5071 54.9532 42.8109 176.7687 43 H 4.9740 8.9813 119.2889 53.7350 32.9971 173.1935 44 G 4.1141 9.3481 111.3861 47.0591 0.0000 172.0680 45 F 5.5580 9.5973 125.2116 56.7248 42.1969 173.2371 46 H 5.0924 9.0075 122.6687 54.1247 33.8773 172.9777 47 V 4.4405 8.4900 121.1334 62.1795 32.5477 174.9667 48 H 4.9987 9.7429 126.9460 54.7094 30.3731 176.1149 49 E 3.6943 9.1844 122.6480 59.1860 29.6163 177.1012 50 F 4.9671 8.2153 118.1425 54.8845 41.5866 176.7351 51 G 4.4563 8.2808 112.3580 44.1607 0.0000 174.2158 52 D 4.7650 7.8591 117.0397 52.7045 42.8684 174.2884 53 N 5.2831 8.8127 124.2923 52.6929 39.3358 175.4937 54 T 3.9480 8.4448 109.6579 63.4076 68.8475 174.7003 55 A 4.6935 8.1891 125.5467 51.3256 19.9792 176.3215 56 G 4.1737 7.9349 111.7875 47.1172 0.0000 176.1048 57 C 4.3839 8.6250 115.4237 59.7728 39.1922 175.9801 58 T 3.8286 7.7581 116.9570 66.6606 68.0520 175.8215 59 S 4.4396 8.0214 112.2324 58.6707 63.0795 174.3761 60 A 4.5182 7.5737 122.8955 51.6762 18.9268 179.7002 61 G 4.2656 7.5303 104.2559 44.3196 0.0000 170.6685 62 P 4.6964 0.0000 0.0000 62.1688 34.1837 175.0365 63 H 4.4557 8.3922 116.3671 55.6405 29.7200 175.6241 64 F 4.2930 8.9216 125.4088 58.0872 40.1887 175.5632 65 N 4.9444 7.8531 125.9666 51.3424 38.9494 173.3641 66 P 4.0265 0.0000 0.0000 65.4036 31.7286 177.4314 67 L 4.2938 7.6336 116.3219 53.5888 42.2967 176.4184 68 S 3.5710 7.6435 114.4154 60.0238 60.5383 170.3726 69 R 4.6363 8.4790 118.0871 53.9843 33.5664 176.2945 70 K 4.4260 8.6157 118.0256 56.0238 33.6072 176.6413 71 H 4.0977 8.5482 122.5886 56.8705 30.5290 174.9630 72 G 4.1759 7.9851 110.2108 46.3453 0.0000 172.5469 73 G 4.1451 9.1251 109.5559 43.3114 0.0000 173.0913 74 P 4.3464 0.0000 0.0000 65.3552 31.2434 177.9090 75 K 4.3010 7.8566 114.3209 56.8350 32.6220 176.6308 76 D 4.6398 7.6974 119.3905 53.5541 41.6035 176.3118 77 E 3.8901 8.7281 122.9371 58.5997 29.7425 176.3298 78 E 4.3571 7.9232 121.2720 55.0010 29.1720 174.4264 79 R 4.8547 7.6525 120.2460 55.9053 32.3666 174.5117 80 H 4.5379 8.5363 115.7201 55.3041 29.5854 176.7886 81 V 3.5355 8.1394 122.0543 66.0980 31.8405 177.0735 82 G 3.8332 8.2775 105.4981 47.3085 0.0000 173.7192 83 D 5.1940 7.9477 121.2438 53.7786 39.4649 175.7783 84 L 4.5212 8.4846 119.4662 52.6279 42.8818 177.7728 85 G 4.0346 8.4524 111.7337 46.8130 0.0000 175.7938 86 N 5.5710 8.8343 119.7084 51.2711 41.9083 172.9987 87 V 4.2089 8.3528 115.7131 60.3033 34.8597 174.8706 88 T 4.9832 8.0722 117.0969 61.8630 71.7870 173.0824 89 A 4.8395 9.0264 129.6058 50.9533 20.7532 177.4204 90 D 4.9187 8.6877 122.8651 52.0930 41.4362 177.0367 91 K 4.1724 8.4951 117.1246 59.9201 32.5201 177.3212 92 D 4.4357 8.1932 118.0778 54.6173 41.2349 177.2526 93 G 4.3450 8.4227 108.3215 44.5681 0.0000 172.4729 94 V 4.7755 7.7581 119.5957 60.9378 33.8040 174.2077 95 A 5.2262 9.0193 130.0295 49.5805 21.0872 175.2289 96 D 4.8383 8.6498 123.4859 53.6933 41.5968 176.4099 97 V 3.9381 8.5575 125.3532 61.9556 33.1550 175.2432 98 S 4.9228 8.4146 122.8059 57.6664 64.1550 172.8479 99 I 4.8334 9.8219 129.0451 59.4101 41.6971 174.1039 100 E 5.3094 8.8679 125.4635 54.5223 31.6510 174.4161 101 D 4.9718 9.5936 126.0938 52.8152 44.9594 175.7744 102 S 4.7261 8.8636 118.9388 58.4636 64.3921 176.0606 103 V 3.8696 8.0756 120.6132 65.0673 31.7795 176.4939 104 I 4.0917 7.9598 111.6215 61.0618 38.1768 174.3592 105 S 4.6377 8.5016 114.6218 57.7771 65.5368 174.1387 106 L 4.7490 8.7288 120.5607 54.1196 41.7422 176.4398 107 S 4.4710 7.9085 111.9720 58.4616 66.1498 175.9373 108 G 3.8370 8.4927 108.4252 44.9183 0.0000 173.5243 109 D 4.4276 8.7683 117.3532 57.4684 41.0501 176.8693 110 H 5.1292 8.0346 114.6819 55.6253 29.1443 173.9100 111 C 4.5870 7.9098 121.2377 59.6194 31.7950 173.3301 112 I 3.9445 7.9630 118.8335 60.2558 38.0309 175.5878 113 I 3.7035 7.2550 122.8973 62.9260 37.5866 176.3629 114 G 3.8340 9.4461 113.2170 45.5161 0.0000 173.1828 115 R 4.9935 7.3905 119.6085 54.7877 33.6303 174.4049 116 T 4.9827 8.0815 115.4933 62.3321 72.0156 173.1376 117 L 4.7527 8.5747 128.7888 53.9117 43.8646 175.3004 118 V 4.9227 9.1929 126.4813 60.9330 35.0294 174.1924 119 V 4.9517 8.6162 126.8251 60.4742 33.6711 174.8831 120 H 5.2520 9.1552 121.9871 54.2406 30.3801 174.8961 121 E 4.2055 9.3295 121.9149 58.9227 30.1442 176.4618 122 K 4.8073 8.6813 117.1787 53.7088 36.7533 175.4908 123 A 4.3758 8.3402 122.4378 52.2141 19.5408 176.2441 124 D 4.7702 9.7138 122.9156 53.6945 41.9673 175.9033 125 D 4.6264 9.5087 125.0048 52.8941 39.8108 176.7580 126 L 3.5831 9.8915 119.1300 56.0898 39.6696 176.1216 127 G 4.0703 8.6302 105.3863 45.7178 0.0000 174.7399 128 K 4.5056 7.6908 117.1529 56.0860 32.4829 177.6592 129 G 3.6732 8.1130 108.8836 45.8434 0.0000 176.2427 130 G 3.9903 8.4054 107.8434 45.2530 0.0000 172.7343 131 N 5.1186 7.2884 114.6807 50.3980 40.7540 174.3396 132 E 4.0658 8.9509 118.3876 59.9885 29.8083 179.2864 133 E 3.8698 8.4015 118.2072 59.5894 29.3813 178.4480 134 S 4.0841 8.8388 113.6021 61.6916 62.3903 175.7351 135 T 4.2663 8.0690 110.0841 62.7009 68.4737 175.6375 136 K 4.3111 8.0786 121.0668 57.6852 34.0073 176.8191 137 T 4.1316 7.4003 104.1379 59.9516 70.3404 174.6845 138 G 3.7707 8.0397 110.2479 45.2518 0.0000 173.5638 139 N 4.2389 8.0445 115.1147 54.1379 36.7287 175.6711 140 A 4.2825 7.3992 119.2631 51.8686 19.4224 179.8758 141 G 3.6889 7.2060 104.4917 44.6085 0.0000 173.5196 142 S 4.2063 8.1913 115.5559 59.4088 64.5180 174.8520 143 R 4.4445 8.4369 121.4941 55.0249 28.9350 176.1913 144 L 4.2717 8.8435 125.8925 57.5425 42.9634 177.0729 145 A 4.7242 7.7832 117.6903 51.5707 22.7335 174.0120 146 C 5.5733 8.1016 113.6510 55.7106 45.3189 172.7036 147 G 4.4175 7.9375 102.6224 45.9965 0.0000 172.9827 148 V 4.4269 8.4441 122.0316 62.3756 32.7401 175.5704 149 I 4.1117 8.8596 129.4888 60.9589 37.9497 175.3340 150 G 4.4302 8.6155 113.9731 43.7345 0.0000 171.9285 151 I 4.2609 8.3150 120.7698 61.2180 37.6508 175.6185 152 A 4.8289 8.5587 127.5178 49.7157 22.0302 176.2391 153 Q 4.0679 8.5510 119.2050 56.4202 29.2091 176.0499 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 A 8.26 4.44 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 2 T 8.11 4.24 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 1.30 0.00 0.00 3 K 9.07 5.28 0.00 1.76 1.73 0.00 1.74 0.00 0.00 1.92 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.62 7.81 4 A 9.18 5.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.75 5.02 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 0.70 0.00 0.00 0.89 0.00 0.00 6 C 9.39 4.98 0.00 3.11 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 7 V 8.47 4.61 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 8.71 4.81 0.00 1.65 1.59 1.04 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.25 4.81 0.00 1.63 1.63 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 G 7.91 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 0.00 0.00 0.00 11 D 8.88 4.49 0.00 2.68 2.74 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 12 G 7.67 4.21 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 0.00 13 P 0.00 4.53 0.00 2.22 2.28 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.94 0.00 14 V 7.53 4.07 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 0.82 0.00 0.00 0.97 0.00 0.00 15 Q 9.12 4.82 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.39 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 16 G 8.47 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 0.00 0.00 0.00 0.00 17 I 8.45 5.18 1.83 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 1.21 0.71 0.83 0.00 0.00 18 I 9.06 4.78 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.19 0.47 0.00 0.00 19 N 8.45 5.08 0.00 1.44 1.55 0.00 0.00 6.48 8.80 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 20 F 9.12 5.40 0.00 2.85 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 21 E 9.73 5.12 0.00 2.44 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 0.00 2.32 2.40 0.00 22 Q 8.93 4.88 0.00 2.26 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 23 K 8.94 4.08 0.00 1.81 1.87 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.46 7.81 24 E 7.77 4.72 0.00 2.00 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 2.27 2.32 0.00 25 S 8.61 4.26 0.00 3.88 3.78 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 26 N 9.01 4.17 0.00 2.88 2.90 0.00 0.00 7.15 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 27 G 7.76 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 28 P 0.00 4.59 0.00 1.99 2.04 0.00 3.73 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 29 V 9.70 4.58 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 1.16 0.00 0.00 1.07 0.00 0.00 30 K 9.36 4.86 0.00 1.92 1.83 0.00 1.61 0.00 0.00 1.43 0.00 0.00 2.65 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.47 1.44 7.81 31 V 9.58 4.82 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 0.69 0.00 0.00 1.05 0.00 0.00 32 W 7.96 5.15 0.00 3.51 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 33 G 7.64 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 34 S 7.81 5.07 0.00 3.87 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 35 I 8.65 5.22 1.80 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 1.28 0.48 0.92 0.00 0.00 36 K 9.85 4.82 0.00 1.66 1.86 0.00 1.33 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.48 1.34 7.81 37 G 8.77 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 38 L 7.64 4.45 0.00 1.83 1.40 0.81 0.37 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 39 T 8.18 4.35 4.28 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 1.25 0.00 0.00 40 E 8.65 4.09 0.00 1.95 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 2.30 2.51 0.00 41 G 8.63 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 42 L 8.17 4.79 0.00 1.52 1.60 0.92 0.93 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 43 H 8.98 4.97 0.00 3.05 3.34 0.00 5.64 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 44 G 9.35 4.11 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 0.00 0.00 0.00 45 F 9.60 5.56 0.00 2.93 2.99 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 0.00 0.00 0.00 46 H 9.01 5.09 0.00 3.16 3.01 0.00 5.85 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.49 4.44 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 0.98 0.00 0.00 0.90 0.00 0.00 48 H 9.74 5.00 0.00 2.99 3.47 0.00 5.71 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 49 E 9.18 3.69 0.00 1.70 1.12 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 1.47 2.14 0.00 50 F 8.22 4.97 0.00 3.01 2.81 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 51 G 8.28 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 0.00 0.00 0.00 0.00 52 D 7.86 4.76 0.00 2.61 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 53 N 8.81 5.28 0.00 2.69 2.73 0.00 0.00 7.37 7.70 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 54 T 8.44 3.95 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 1.24 0.00 0.00 55 A 8.19 4.69 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 56 G 7.93 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 C 8.63 4.38 0.00 2.98 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 58 T 7.76 3.83 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 1.23 0.00 0.00 59 S 8.02 4.44 0.00 3.98 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 60 A 7.57 4.52 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 61 G 7.53 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 0.00 0.00 0.00 62 P 0.00 4.70 0.00 2.03 2.20 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 63 H 8.39 4.46 0.00 2.85 3.19 0.00 5.73 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 64 F 8.92 4.29 0.00 2.99 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 65 N 7.85 4.94 0.00 2.60 2.44 0.00 0.00 6.94 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 66 P 0.00 4.03 0.00 2.05 1.93 0.00 2.76 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.14 0.00 67 L 7.63 4.29 0.00 1.55 1.67 0.91 0.92 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 68 S 7.64 3.57 0.00 3.91 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 69 R 8.48 4.64 0.00 1.86 1.97 0.00 3.37 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 70 K 8.62 4.43 0.00 1.66 1.70 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.52 7.81 71 H 8.55 4.10 0.00 3.13 3.24 0.00 5.98 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 72 G 7.99 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 0.00 0.00 0.00 0.00 73 G 9.13 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 74 P 0.00 4.35 0.00 2.08 2.20 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.24 0.00 75 K 7.86 4.30 0.00 1.75 1.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.46 7.81 76 D 7.70 4.64 0.00 2.77 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 77 E 8.73 3.89 0.00 1.92 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 2.28 2.29 0.00 78 E 7.92 4.36 0.00 2.05 1.81 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 2.29 2.30 0.00 79 R 7.65 4.85 0.00 1.96 1.77 0.00 2.88 0.00 0.00 3.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 80 H 8.54 4.54 0.00 3.49 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.14 3.54 1.65 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 0.78 0.00 0.00 0.47 0.00 0.00 82 G 8.28 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 83 D 7.95 5.19 0.00 2.73 2.73 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 84 L 8.48 4.52 0.00 1.81 1.93 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.45 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 0.00 0.00 0.00 86 N 8.83 5.57 0.00 2.59 2.70 0.00 0.00 6.70 7.68 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 87 V 8.35 4.21 1.81 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 -0.19 0.00 0.00 0.83 0.00 0.00 88 T 8.07 4.98 4.21 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 1.20 0.00 0.00 89 A 9.03 4.84 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 90 D 8.69 4.92 0.00 2.92 2.84 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 0.00 0.00 0.00 91 K 8.50 4.17 0.00 1.88 1.99 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.46 7.81 92 D 8.19 4.44 0.00 2.82 2.74 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 93 G 8.42 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 0.00 0.00 0.00 0.00 94 V 7.76 4.78 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 0.95 0.00 0.00 0.92 0.00 0.00 95 A 9.02 5.23 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 96 D 8.65 4.84 0.00 2.55 2.65 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 97 V 8.56 3.94 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 0.64 0.00 0.00 98 S 8.41 4.92 0.00 3.89 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 99 I 9.82 4.83 1.97 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 1.16 0.83 1.01 0.00 0.00 100 E 8.87 5.31 0.00 1.96 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 2.20 2.31 0.00 101 D 9.59 4.97 0.00 2.82 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 0.00 102 S 8.86 4.73 0.00 3.92 3.86 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 0.00 103 V 8.08 3.87 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 0.80 0.00 0.00 0.95 0.00 0.00 104 I 7.96 4.09 1.97 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.82 1.08 0.00 0.00 105 S 8.50 4.64 0.00 3.86 3.84 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 0.00 0.00 0.00 106 L 8.73 4.75 0.00 1.81 1.63 1.04 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.91 4.47 0.00 3.94 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 0.00 108 G 8.49 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.77 4.43 0.00 2.65 2.81 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 0.00 110 H 8.03 5.13 0.00 3.24 3.42 0.00 5.64 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 0.00 111 C 7.91 4.59 0.00 2.96 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 0.00 112 I 7.96 3.94 1.65 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.26 1.00 0.00 0.00 113 I 7.25 3.70 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.73 0.82 0.00 0.00 114 G 9.45 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 0.00 115 R 7.39 4.99 0.00 1.59 1.85 0.00 2.21 0.00 0.00 2.51 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.24 0.00 116 T 8.08 4.98 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 1.21 0.00 0.00 117 L 8.57 4.75 0.00 1.81 1.54 0.55 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 118 V 9.19 4.92 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 0.77 0.00 0.00 0.73 0.00 0.00 119 V 8.62 4.95 2.26 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 0.76 0.00 0.00 0.99 0.00 0.00 120 H 9.16 5.25 0.00 3.29 3.57 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.33 4.21 0.00 2.00 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 2.36 2.34 0.00 122 K 8.68 4.81 0.00 1.74 1.67 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.37 7.81 123 A 8.34 4.38 1.23 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 0.00 0.00 124 D 9.71 4.77 0.00 2.77 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 0.00 125 D 9.51 4.63 0.00 2.90 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 0.00 126 L 9.89 3.58 0.00 1.86 1.78 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.63 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 0.00 128 K 7.69 4.51 0.00 1.78 1.81 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.53 7.81 129 G 8.11 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 0.00 130 G 8.41 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 131 N 7.29 5.12 0.00 2.89 2.76 0.00 0.00 6.90 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 0.00 132 E 8.95 4.07 0.00 2.01 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 2.41 2.27 0.00 133 E 8.40 3.87 0.00 2.06 2.21 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 2.42 2.44 0.00 134 S 8.84 4.08 0.00 3.99 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 0.00 135 T 8.07 4.27 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 1.21 0.00 0.00 136 K 8.08 4.31 0.00 1.73 1.81 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.31 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.57 7.81 137 T 7.40 4.13 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 1.27 0.00 0.00 138 G 8.04 3.77 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 0.00 0.00 0.00 139 N 8.04 4.24 0.00 3.05 2.89 0.00 0.00 6.90 7.51 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 0.00 140 A 7.40 4.28 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 0.00 141 G 7.21 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 0.00 142 S 8.19 4.21 0.00 3.85 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 0.00 143 R 8.44 4.44 0.00 1.66 1.81 0.00 3.28 0.00 0.00 3.15 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 144 L 8.84 4.27 0.00 1.71 1.71 1.00 0.61 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 0.00 145 A 7.78 4.72 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 0.00 146 C 8.10 5.57 0.00 2.99 3.13 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 0.00 147 G 7.94 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 0.00 0.00 0.00 0.00 148 V 8.44 4.43 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 0.76 0.00 0.00 0.97 0.00 0.00 149 I 8.86 4.11 1.77 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.71 0.30 0.00 0.00 150 G 8.62 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 0.00 0.00 0.00 0.00 151 I 8.32 4.26 1.85 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 1.25 0.53 0.90 0.00 0.00 152 A 8.56 4.83 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.55 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00