NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 M 4.3293 8.4045 120.3448 54.9341 33.8268 175.8927 9 K 3.8744 8.0860 119.4729 52.8201 32.1424 177.8044 10 L 3.5583 7.9873 126.0181 57.4743 43.2771 178.1607 11 E 3.9453 7.8752 120.7324 59.1583 29.5679 177.9323 12 N 4.9822 8.0200 116.7032 52.1764 38.5648 179.9814 13 Q 4.6479 7.9508 119.2972 54.4375 31.0054 176.1948 14 L 3.9448 8.9056 125.3737 58.5919 41.8058 178.5790 15 S 4.0822 8.2378 112.1862 61.6697 62.1650 175.9772 16 F 4.2276 8.4019 123.0500 61.1992 39.1095 177.1386 17 L 3.8632 8.0644 118.1841 57.8063 41.4716 179.3729 18 L 3.9384 8.1703 119.0490 57.8719 41.3333 178.9974 19 Y 4.0027 7.8000 119.1175 60.5087 38.7413 177.9302 20 A 3.5337 8.1113 121.8550 55.1719 18.4900 179.5655 21 S 3.9634 7.9331 113.8359 61.7931 62.8248 176.9932 22 S 3.9549 8.0006 115.4666 61.6384 62.0782 176.6307 23 R 3.7410 7.3943 120.0855 58.8205 29.4225 178.8458 24 E 3.9723 7.6834 118.0805 59.0616 29.6837 178.4876 25 M 4.1699 8.0212 118.5428 58.9816 32.2227 178.3365 26 T 3.4488 7.8634 115.9811 66.5485 68.2731 176.6605 27 K 4.0447 7.5153 119.4018 59.2152 32.0672 179.1129 28 Q 4.1137 8.0627 118.3277 59.0393 28.8765 177.8457 29 Y 3.9880 8.1595 117.4156 60.2370 37.9250 177.5945 30 K 3.8687 7.8733 121.1770 59.4716 31.9837 176.7484 31 P 4.2452 0.0000 0.0000 65.4389 31.1393 178.4306 32 L 4.1105 7.7265 117.3293 57.8828 41.7672 179.3784 33 L 4.1660 8.6340 118.8911 57.4205 41.5402 179.1564 34 D 4.4310 8.3068 119.4418 57.2046 40.5411 178.3907 35 K 4.2864 7.6840 115.7476 57.7335 32.1754 178.0636 36 L 4.6197 7.6105 117.8400 53.1624 42.6506 175.5712 37 N 4.2408 8.1302 115.4754 54.1306 36.5547 173.4043 38 I 4.9444 7.8710 108.1507 57.8221 41.3930 174.1199 39 T 4.6253 8.1416 110.5801 59.6905 72.2976 174.5922 40 Y 4.0579 8.4251 121.0054 60.6942 38.8845 176.3251 41 P 4.1131 0.0000 0.0000 65.5631 31.1941 178.6983 42 Q 3.9137 7.9145 116.8454 58.9908 28.6145 177.8215 43 Y 4.0886 8.3169 120.9657 60.8076 38.6015 178.3978 44 L 3.5230 7.6702 119.4788 57.4686 41.6829 179.3469 45 A 3.8106 7.5884 120.2868 55.1055 18.2501 179.5123 46 L 3.2734 7.5340 117.4538 57.6860 41.5476 179.6381 47 L 3.6739 7.1085 118.6732 57.8997 41.2790 179.7200 48 L 4.0093 7.0561 117.8387 57.6111 41.9235 179.1889 49 L 4.2761 7.6540 119.0149 57.3575 41.3578 179.4130 50 W 4.5684 8.5403 118.5533 58.8578 29.0613 177.3042 51 E 4.7847 7.4744 115.4590 55.6414 29.9623 176.2733 52 H 4.5950 8.3999 117.9279 55.4364 31.6446 174.1500 53 E 3.9635 7.9178 127.1417 56.4620 31.4805 176.4124 54 T 5.0267 7.7283 113.1208 61.8029 72.2640 173.5829 55 L 4.8121 8.6220 124.3743 53.2452 46.7094 176.1047 56 T 4.5815 8.3411 111.8367 60.7253 70.4405 175.6333 57 V 3.5167 8.4955 123.1061 66.3607 31.2514 178.3628 58 K 3.8282 7.9869 118.4478 59.5831 32.0059 178.4988 59 K 3.8908 8.0215 119.7428 59.5478 32.0571 178.7494 60 M 4.0628 8.1457 119.2710 58.1492 31.8188 178.6766 61 G 3.6622 8.3176 106.2559 47.9509 0.0000 175.2806 62 E 3.7988 8.0604 120.2153 59.2960 29.6400 179.4603 63 Q 3.9618 8.1303 116.6693 58.2731 28.8173 178.0022 64 L 4.3789 8.1863 118.1882 53.9306 42.9216 175.6335 65 Y 3.4464 8.1866 115.5938 58.8008 35.1276 168.1457 66 L 4.8855 7.5496 117.2966 53.3809 46.6196 175.0733 67 D 4.8806 8.1330 117.7898 51.0998 42.5529 174.8365 68 S 4.3299 8.6247 114.7090 57.7332 63.3701 173.0782 69 G 3.8317 8.3023 120.0742 45.9589 0.0000 174.3523 70 T 4.3900 7.8567 117.6691 64.3670 69.7602 177.0817 71 L 4.0719 7.7186 120.3393 57.8846 42.0460 178.9054 72 T 3.8638 7.9377 115.1822 66.5806 68.4447 174.6294 73 P 4.2811 0.0000 0.0000 65.5208 31.4185 178.4748 74 M 3.9988 7.6991 115.7863 58.7347 32.2465 178.3979 75 L 4.0495 8.6238 119.2030 57.2244 41.6747 179.7702 76 K 3.9668 7.7922 118.5292 59.3449 31.9428 179.4227 77 R 3.9175 7.8627 118.1956 59.7253 30.0747 178.9559 78 M 4.0150 8.1138 118.3133 58.4844 31.9119 178.5326 79 E 4.3850 8.1540 120.7943 58.8184 29.6066 178.6605 80 Q 4.0656 8.0053 118.6905 58.7333 29.2148 177.1752 81 Q 4.3153 8.1080 117.1397 55.7101 28.9597 176.7634 82 G 3.9643 7.7997 108.2378 45.8506 0.0000 174.6735 83 L 4.4652 8.0204 121.7863 56.7043 42.8644 176.7870 84 I 5.1934 7.6173 110.5381 59.6631 41.4010 174.1839 85 T 4.8249 9.2829 114.0572 60.2659 71.9714 173.7459 86 R 5.0561 8.3449 120.4395 54.6895 33.4344 174.4953 87 K 4.6945 8.9439 127.7324 54.6148 35.9162 176.2825 88 R 4.4097 8.6234 126.3399 57.0729 29.7817 175.8738 89 S 4.2494 8.8101 118.3919 57.8953 62.9058 175.0076 90 E 4.1306 8.8319 125.1975 58.9136 29.8168 177.8664 91 E 4.2247 7.8304 115.5169 56.5971 29.7669 176.2234 92 D 4.6719 7.6474 115.4779 54.8587 43.4045 176.9100 93 E 4.3130 8.6166 116.7797 56.2286 30.2195 177.9074 94 R 4.3317 7.6410 116.0617 58.0141 31.3016 176.6022 95 S 4.6871 8.5772 113.8663 57.1178 64.7296 172.9159 96 V 4.7831 8.0539 121.5709 61.0002 34.9603 173.7350 97 L 5.0047 8.8336 127.3090 53.1813 44.2516 175.3055 98 I 4.8662 8.8739 124.6470 59.7474 39.4787 174.7991 99 S 5.2425 8.6934 123.0646 56.1787 66.2693 173.7357 100 L 4.4849 8.2892 126.2747 55.5255 42.7107 176.1947 101 T 4.5555 8.2776 114.3112 59.9279 71.7696 175.0400 102 E 4.1236 8.9698 121.8534 59.7732 29.4828 178.5163 103 D 4.4789 8.1995 118.2048 57.4866 40.7587 178.8506 104 G 3.7936 8.6114 105.0125 47.8546 0.0000 175.2673 105 A 4.3825 9.0447 124.1959 55.0411 18.3379 179.7134 106 L 3.9149 8.5560 117.9354 57.7738 41.7456 179.2392 107 L 3.9790 8.1308 120.3247 57.8807 41.8219 178.8254 108 K 2.0000 7.3787 119.2524 58.9252 31.6871 178.0141 109 E 3.7941 7.5165 119.0869 59.1396 29.2391 178.2446 110 K 4.2617 7.7041 115.1385 57.1523 32.6967 177.1712 111 A 4.7131 7.7285 122.2542 51.5386 19.7535 178.5927 112 V 3.6030 7.3880 118.1072 65.0522 31.2908 177.9843 113 D 4.9122 7.8550 119.1738 52.8330 40.2111 178.6746 114 I 3.6714 7.8352 122.4453 64.8016 37.0924 175.9094 115 P 4.4135 0.0000 0.0000 65.8424 31.1385 178.2581 116 G 3.7847 8.2326 103.5654 48.5522 0.0000 175.1065 117 T 3.8628 7.7987 117.8213 66.5077 68.3455 176.2729 118 I 3.5208 7.5855 120.2028 63.7891 37.2907 177.5756 119 L 4.2075 7.8143 122.6163 57.7276 41.7459 179.3539 120 G 3.8547 8.1241 104.4541 47.9075 0.0000 174.7715 121 L 4.3915 7.6923 119.0115 55.8348 40.8132 177.2759 122 S 4.5588 8.4646 116.3689 58.9782 64.2351 176.8633 123 K 4.2210 8.0854 119.1567 55.9052 30.8835 182.3900 124 Q 4.4734 8.2329 117.4825 57.1687 28.3106 176.2134 125 S 4.4417 7.4517 112.7721 57.8164 63.0114 173.2675 126 G 3.9640 8.3219 110.0220 45.1919 0.0000 173.2146 127 E 4.8728 7.4098 116.9894 55.4844 31.4873 175.3806 128 D 4.5712 7.8120 118.7647 52.7091 40.3479 177.2920 129 L 4.0686 8.8885 125.1873 58.6674 41.4849 180.4294 130 K 3.7904 8.1488 123.1021 59.8776 31.4869 182.6541 131 Q 4.6410 8.8334 120.5855 58.1734 28.8772 177.9190 132 L 3.9954 7.8477 123.3513 59.0352 41.9906 179.9463 133 K 4.0642 8.8943 124.4907 59.9178 31.6870 181.0211 134 S 4.4730 8.1201 115.7492 61.0219 62.7417 176.4756 135 A 3.9549 8.6538 124.6705 55.2073 18.2316 179.5955 136 L 3.9490 8.0570 117.3451 58.0368 41.6270 179.2605 137 Y 4.0611 8.4569 119.9934 60.8811 38.6455 178.3026 138 T 3.7643 8.0030 116.6428 66.6059 68.6329 176.2818 139 L 3.8828 7.9916 122.2878 58.1191 42.0864 178.8943 140 L 3.8251 8.0845 122.4863 58.7888 41.8688 179.1993 141 E 3.8921 7.6300 116.7687 62.0649 29.5999 180.5676 142 T 4.0920 8.0138 116.0861 65.9575 68.5420 176.1355 143 L 4.0134 8.0440 123.0738 58.3104 41.9477 177.7154 144 H 4.5472 7.9625 121.4619 56.4421 29.9909 174.5472 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 8 M 8.40 4.33 0.00 1.97 2.10 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 2.46 2.52 0.00 9 K 8.09 3.87 0.00 1.80 1.69 0.00 1.89 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.44 1.06 7.81 10 L 7.99 3.56 0.00 1.46 1.35 0.47 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.88 3.95 0.00 2.12 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 2.24 2.25 0.00 12 N 8.02 4.98 0.00 2.73 2.70 0.00 0.00 6.77 8.25 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 13 Q 7.95 4.65 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.68 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 14 L 8.91 3.94 0.00 1.77 1.72 0.94 0.85 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 15 S 8.24 4.08 0.00 3.94 3.90 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 16 F 8.40 4.23 0.00 3.11 3.27 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 17 L 8.06 3.86 0.00 1.93 1.72 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.17 3.94 0.00 1.69 1.71 0.92 0.98 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 19 Y 7.80 4.00 0.00 2.87 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 20 A 8.11 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.93 3.96 0.00 3.87 3.89 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 0.00 22 S 8.00 3.95 0.00 3.95 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.39 3.74 0.00 1.55 1.75 0.00 2.69 0.00 0.00 2.35 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.38 0.00 24 E 7.68 3.97 0.00 2.04 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 2.43 2.38 0.00 25 M 8.02 4.17 0.00 2.14 2.10 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 2.84 2.72 0.00 26 T 7.86 3.45 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 27 K 7.52 4.04 0.00 1.83 1.84 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.60 7.81 28 Q 8.06 4.11 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.01 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 29 Y 8.16 3.99 0.00 3.17 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 30 K 7.87 3.87 0.00 1.82 1.96 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.71 7.81 31 P 0.00 4.25 0.00 2.03 2.08 0.00 3.83 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.16 0.00 32 L 7.73 4.11 0.00 1.66 1.63 0.69 0.60 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 33 L 8.63 4.17 0.00 1.69 1.93 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.31 4.43 0.00 2.95 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 35 K 7.68 4.29 0.00 1.90 1.87 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.69 7.81 36 L 7.61 4.62 0.00 1.69 1.77 1.10 0.92 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 N 8.13 4.24 0.00 2.90 2.92 0.00 0.00 6.66 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 38 I 7.87 4.94 2.00 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 1.19 1.55 1.04 0.00 0.00 39 T 8.14 4.63 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 1.24 0.00 0.00 40 Y 8.43 4.06 0.00 2.96 2.97 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 41 P 0.00 4.11 0.00 2.20 2.09 0.00 3.74 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 2.18 2.31 0.00 42 Q 7.91 3.91 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 43 Y 8.32 4.09 0.00 2.94 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 44 L 7.67 3.52 0.00 1.64 1.46 0.67 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.59 3.81 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 46 L 7.53 3.27 0.00 0.97 0.13 0.62 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.11 3.67 0.00 1.57 1.54 0.63 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.06 4.01 0.00 1.59 1.63 0.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.65 4.28 0.00 1.49 1.59 0.91 0.62 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 50 W 8.54 4.57 0.00 3.35 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 51 E 7.47 4.78 0.00 2.10 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 2.51 2.47 0.00 52 H 8.40 4.60 0.00 3.15 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.92 3.96 0.00 2.19 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 2.40 2.50 0.00 54 T 7.73 5.03 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 55 L 8.62 4.81 0.00 1.47 1.39 0.83 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.34 4.58 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 1.18 0.00 0.00 57 V 8.50 3.52 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 1.02 0.00 0.00 0.96 0.00 0.00 58 K 7.99 3.83 0.00 1.83 1.76 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.47 7.81 59 K 8.02 3.89 0.00 1.82 1.71 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.42 7.81 60 M 8.15 4.06 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.47 0.00 61 G 8.32 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 0.00 0.00 0.00 62 E 8.06 3.80 0.00 1.99 1.90 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 2.26 2.37 0.00 63 Q 8.13 3.96 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 64 L 8.19 4.38 0.00 1.78 1.72 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 8.19 3.45 0.00 3.09 3.05 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 0.00 0.00 0.00 66 L 7.55 4.89 0.00 1.57 1.54 0.92 1.08 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 67 D 8.13 4.88 0.00 2.83 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.62 4.33 0.00 3.99 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 0.00 69 G 8.30 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 70 T 7.86 4.39 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 71 L 7.72 4.07 0.00 1.67 1.67 0.89 0.73 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 72 T 7.94 3.86 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 73 P 0.00 4.28 0.00 2.15 2.09 0.00 3.64 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 2.25 2.13 0.00 74 M 7.70 4.00 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 75 L 8.62 4.05 0.00 1.84 1.68 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.79 3.97 0.00 2.04 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.66 7.81 77 R 7.86 3.92 0.00 2.06 1.98 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 78 M 8.11 4.01 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.53 0.00 79 E 8.15 4.39 0.00 2.12 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 0.00 2.30 2.31 0.00 80 Q 8.01 4.07 0.00 2.10 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 81 Q 8.11 4.32 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.84 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 82 G 7.80 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.02 4.47 0.00 1.72 1.74 0.95 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.62 5.19 1.90 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 1.38 0.77 0.87 0.00 0.00 85 T 9.28 4.82 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 1.22 0.00 0.00 86 R 8.34 5.06 0.00 1.64 1.83 0.00 3.13 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 87 K 8.94 4.69 0.00 1.80 1.58 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.35 7.81 88 R 8.62 4.41 0.00 1.64 1.71 0.00 3.32 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 89 S 8.81 4.25 0.00 3.91 3.91 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 90 E 8.83 4.13 0.00 2.07 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 2.37 2.28 0.00 91 E 7.83 4.22 0.00 1.97 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 0.00 2.31 2.24 0.00 92 D 7.65 4.67 0.00 2.74 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.62 4.31 0.00 2.02 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 2.24 1.89 0.00 94 R 7.64 4.33 0.00 1.98 2.00 0.00 3.11 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 95 S 8.58 4.69 0.00 3.83 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 96 V 8.05 4.78 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 1.02 0.00 0.00 0.92 0.00 0.00 97 L 8.83 5.00 0.00 1.70 1.53 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.87 4.87 1.95 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 1.19 0.88 0.86 0.00 0.00 99 S 8.69 5.24 0.00 3.74 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.29 4.48 0.00 1.64 1.73 1.00 1.18 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 0.00 101 T 8.28 4.56 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 102 E 8.97 4.12 0.00 2.11 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 2.40 2.50 0.00 103 D 8.20 4.48 0.00 2.93 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.61 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 9.04 4.38 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 0.00 106 L 8.56 3.91 0.00 1.80 1.73 0.93 0.48 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 0.00 107 L 8.13 3.98 0.00 2.14 2.23 1.02 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.38 2.00 0.00 0.79 1.21 0.00 1.34 0.00 0.00 1.27 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.82 0.24 7.81 109 E 7.52 3.79 0.00 1.92 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 2.25 2.34 0.00 110 K 7.70 4.26 0.00 1.93 1.86 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.43 7.81 111 A 7.73 4.71 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.39 3.60 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 0.76 0.00 0.00 0.90 0.00 0.00 113 D 7.86 4.91 0.00 2.90 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 0.00 114 I 7.84 3.67 2.11 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 1.44 0.67 0.75 0.00 0.00 115 P 0.00 4.41 0.00 2.22 2.21 0.00 3.88 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 2.26 2.40 0.00 116 G 8.23 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 0.00 0.00 0.00 117 T 7.80 3.86 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 1.13 0.00 0.00 118 I 7.59 3.52 1.96 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 -0.03 0.90 0.00 0.00 119 L 7.81 4.21 0.00 1.75 1.99 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 120 G 8.12 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 0.00 121 L 7.69 4.39 0.00 1.77 1.74 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.46 4.56 0.00 3.96 4.08 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 0.00 0.00 0.00 0.00 123 K 8.09 4.22 0.00 1.70 1.83 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.04 7.81 124 Q 8.23 4.47 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 125 S 7.45 4.44 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 0.00 126 G 8.32 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 7.41 4.87 0.00 2.28 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 2.03 2.09 0.00 128 D 7.81 4.57 0.00 2.93 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 0.00 129 L 8.89 4.07 0.00 1.76 1.81 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.15 3.79 0.00 1.76 1.83 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.11 7.81 131 Q 8.83 4.64 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.77 0.00 132 L 7.85 4.00 0.00 1.80 1.85 0.94 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.89 4.06 0.00 1.73 1.80 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.32 7.81 134 S 8.12 4.47 0.00 4.11 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 0.00 135 A 8.65 3.95 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 0.00 136 L 8.06 3.95 0.00 1.91 1.76 0.95 0.55 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 0.00 137 Y 8.46 4.06 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 0.00 138 T 8.00 3.76 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 139 L 7.99 3.88 0.00 1.74 1.81 0.91 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.08 3.83 0.00 1.72 1.64 0.43 0.74 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 0.00 141 E 7.63 3.89 0.00 2.11 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 2.27 2.24 0.00 142 T 8.01 4.09 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 1.20 0.00 0.00 143 L 8.04 4.01 0.00 1.59 1.76 0.89 1.17 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 0.00 144 H 7.96 4.55 0.00 3.36 3.39 0.00 5.98 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00