NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4364 8.3349 115.4123 57.6717 63.1835 172.1178 2 K 3.9084 8.2645 127.3360 56.4037 32.6538 175.6871 3 T 4.1011 8.6332 118.2246 64.0744 69.0232 174.7881 4 N 4.4426 7.9571 120.5205 52.8606 39.8999 173.6164 5 P 4.2905 0.0000 0.0000 65.5882 31.4527 178.9786 6 R 3.9135 8.4922 117.2578 59.1091 29.9736 178.6010 7 L 3.9386 8.0685 119.6438 58.3366 42.0878 179.1269 8 S 4.1318 7.9082 114.9309 61.5465 62.7729 176.8564 9 S 4.0541 7.8068 117.3494 61.5126 62.5749 176.2518 10 L 3.8901 7.9665 123.0283 58.3428 41.7619 179.0505 11 I 3.6499 7.5613 118.9526 64.4737 37.0387 178.3325 12 A 4.0110 7.9097 121.3175 55.2576 18.2433 179.4732 13 D 4.2590 8.5459 117.8559 57.3357 40.7553 178.9824 14 L 3.8379 8.2751 120.1125 57.3219 41.5474 179.7459 15 K 3.9591 7.8807 118.5212 59.4712 32.0001 179.1266 16 S 4.0726 8.1667 113.2060 61.6294 62.1544 176.2486 17 A 3.9892 7.9714 122.6708 54.7974 17.7703 179.4392 18 A 4.1967 7.6216 118.7015 55.2165 18.7103 179.7918 19 R 4.0809 7.9698 115.7326 60.1796 30.3002 178.7043 20 S 4.3104 8.3520 114.8055 60.3893 63.0801 176.0678 21 S 4.4465 8.0633 116.9132 58.4342 63.7270 175.1040 22 G 3.9770 8.5475 107.4126 46.0602 0.0000 174.2085 23 G 3.7980 7.5987 109.9074 44.6765 0.0000 173.2915 24 A 4.6158 7.7319 117.0769 51.8992 24.7650 179.0300 25 V 3.6249 7.4411 109.7183 63.8273 31.6003 178.5295 26 W 4.8752 7.7794 118.5825 59.9985 28.9372 178.7021 27 G 3.6869 8.2200 105.1694 47.5590 0.0000 175.2072 28 D 4.3413 7.7994 119.8873 57.2568 41.3211 178.5235 29 V 3.6242 8.3595 119.0648 65.8989 31.4234 177.8964 30 A 4.0554 8.3128 120.6515 55.1230 17.9401 179.5207 31 E 3.9471 7.8514 116.3798 59.4612 29.9596 179.1294 32 R 4.0382 7.8160 118.9963 59.4074 29.9389 178.6014 33 L 3.9181 7.6956 117.6199 57.3273 41.6639 178.7899 34 E 4.1834 7.7001 117.5731 57.3549 29.6602 177.3382 35 K 4.3487 7.0552 117.7289 54.5065 33.3351 174.7744 36 P 4.2911 0.0000 0.0000 62.8839 31.9593 177.9290 37 R 3.6060 8.5172 119.6890 59.1553 30.2286 179.5127 38 R 3.9593 7.8336 113.5962 58.9211 29.7079 177.8915 39 T 4.0622 7.5512 107.7874 63.9541 69.1941 174.8732 40 H 4.2835 7.4790 118.9070 55.7154 29.4257 174.5687 41 A 4.2319 8.1433 123.3050 52.1039 19.5782 176.7751 42 E 4.8753 8.7831 120.9105 54.4660 31.8577 174.4676 43 V 4.4394 8.5852 124.4867 60.9497 34.3744 174.3399 44 N 5.2535 8.5209 124.1347 51.3289 40.5145 176.0420 45 L 4.1167 8.8493 121.3076 58.1675 41.2241 180.0717 46 G 3.7364 8.1546 104.8124 46.9377 0.0000 175.3152 47 R 4.0985 8.1291 120.8804 58.8733 30.5919 178.3418 48 I 3.8358 7.7139 119.2211 64.1658 36.8990 177.8704 49 E 3.9428 7.9476 119.5171 59.3023 29.5785 178.6087 50 R 3.8595 7.4169 117.3755 58.4757 30.1549 176.4013 51 Y 4.6849 7.5853 112.1012 57.2642 39.4376 175.2378 52 A 4.6839 7.8391 123.1568 50.8297 20.3730 176.8380 53 Q 4.6640 8.1512 117.1777 53.7925 30.5659 175.3521 54 E 4.0543 8.6114 119.1838 57.7783 30.0822 176.3979 55 D 4.3219 8.7055 118.0045 54.8726 38.4008 173.9121 56 E 4.6310 7.5983 117.6913 55.1480 32.5403 174.7118 57 T 4.1950 8.6866 125.5863 63.6699 69.8656 174.1600 58 V 4.3198 8.8334 128.1016 62.4450 32.5592 174.6792 59 V 4.7669 8.8540 129.8337 61.3756 32.9953 174.5002 60 V 4.6773 8.8811 128.8307 59.7289 33.1793 174.5853 61 P 4.7895 0.0000 0.0000 60.4871 31.5418 175.0984 62 G 4.3922 6.2916 114.4197 47.1341 0.0000 171.5614 63 K 4.9094 8.5938 125.8146 54.3219 35.6489 174.5429 64 V 4.7872 8.2444 125.7773 61.4076 33.5041 175.1235 65 L 4.8148 9.5647 128.8409 52.9062 44.8444 176.3794 66 G 4.2016 8.3873 104.4303 46.7153 0.0000 173.8492 67 S 4.5707 8.5582 117.2163 58.5284 64.4673 175.4405 68 G 4.2520 9.0771 109.1716 45.3237 0.0000 172.2181 69 V 4.3258 7.8628 117.6259 60.6108 33.2667 174.3307 70 L 4.9081 8.4259 127.8622 53.4302 44.0780 175.6710 71 Q 4.5643 9.7233 124.1787 56.0730 31.2637 176.5899 72 K 4.1209 8.1750 116.9151 56.4971 32.8775 177.2310 73 D 5.5458 8.3630 123.5376 52.9217 39.5943 174.8832 74 V 4.6215 7.7281 115.1079 59.4429 35.9618 174.9213 75 T 4.8985 8.3688 119.3512 62.2363 70.4360 173.5297 76 V 4.8962 8.6984 127.2295 61.1463 33.9469 174.1507 77 A 5.9400 9.5817 129.5137 49.5590 21.4116 175.0336 78 A 4.8966 8.3278 122.3987 50.3591 22.5520 177.0491 79 V 3.5569 8.1092 119.7120 66.1334 32.1850 175.7648 80 D 4.6413 7.2382 116.8199 53.2717 44.4520 174.1705 81 F 5.4513 8.6654 120.9330 55.4127 42.8707 175.1337 82 S 4.3351 9.0436 116.8564 58.0061 63.6038 175.2822 83 G 3.8473 9.0486 108.1840 48.8404 0.0000 176.0723 84 T 4.0140 7.9118 117.1352 65.9763 68.6074 176.7156 85 A 4.0229 8.0318 122.8325 55.3162 18.3472 179.3545 86 E 3.7071 8.4074 117.7430 59.4656 29.3667 179.1437 87 T 3.8078 7.2520 114.1537 66.6346 68.6807 176.3244 88 K 4.1981 8.2107 120.2818 59.6453 31.9996 179.5891 89 I 3.7547 7.7130 119.8353 64.4863 36.9713 177.9739 90 D 4.6118 7.5162 116.8259 56.2246 40.5829 178.2047 91 Q 4.2178 7.6077 118.8534 57.7208 29.2164 176.9052 92 V 4.4950 7.3616 109.7101 60.8765 34.1942 174.3986 93 G 4.3908 7.9933 111.8378 45.0441 0.0000 175.3542 94 E 4.9058 9.5331 126.8540 54.6078 33.3327 172.7955 95 A 4.6623 8.7845 129.4952 50.6320 20.0545 176.4694 96 V 4.7024 8.8337 123.2438 60.9101 35.1054 175.3227 97 S 4.7780 8.7889 121.8097 57.7248 64.0569 175.0331 98 L 3.9514 8.3247 124.2147 58.5898 41.2088 179.5098 99 E 3.9039 7.8030 117.5324 59.0688 29.2401 179.3029 100 Q 3.8069 8.1926 118.1509 58.7493 28.7988 178.1506 101 A 4.0764 8.0290 121.3171 55.5966 18.5657 179.6364 102 I 3.1291 7.3569 117.6647 63.8107 36.7096 178.0251 103 E 4.1693 7.2509 119.0288 58.7060 29.8196 177.7413 104 N 4.6427 8.4281 116.0801 54.9626 40.2265 175.1826 105 N 5.1306 8.7259 118.6809 50.9689 39.0352 172.7265 106 P 4.7088 0.0000 0.0000 64.9261 31.9266 178.2853 107 E 4.1000 8.4980 117.1732 56.4264 30.3378 175.7236 108 G 3.5797 8.0586 107.6453 46.2907 0.0000 172.9040 109 S 4.5534 8.1278 111.7773 57.6843 66.8083 174.5150 110 H 4.0167 8.4823 116.8472 57.2214 25.7267 174.5573 111 V 4.8824 7.2308 116.2871 59.8086 35.1510 176.5768 112 R 4.4988 9.1256 123.8913 54.5027 32.3419 174.6137 113 V 4.4734 8.3870 127.2088 62.5512 32.3376 175.0497 114 I 4.6694 8.4610 128.8962 59.3073 40.0540 175.9579 115 R 4.1714 8.4633 122.3385 56.2744 29.4960 175.1443 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 S 8.33 4.44 0.00 3.99 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 2 K 8.26 3.91 0.00 1.85 1.80 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.45 1.44 7.81 3 T 8.63 4.10 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 4 N 7.96 4.44 0.00 2.79 2.69 0.00 0.00 7.22 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 5 P 0.00 4.29 0.00 2.19 2.08 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.49 3.91 0.00 1.84 1.96 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 7 L 8.07 3.94 0.00 1.75 1.84 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.91 4.13 0.00 4.04 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 9 S 7.81 4.05 0.00 3.99 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 10 L 7.97 3.89 0.00 1.86 1.64 0.81 0.85 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 11 I 7.56 3.65 2.04 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 1.44 0.90 0.91 0.00 0.00 12 A 7.91 4.01 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 13 D 8.55 4.26 0.00 2.69 2.62 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 14 L 8.28 3.84 0.00 1.85 1.85 0.91 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.88 3.96 0.00 2.05 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.69 7.81 16 S 8.17 4.07 0.00 3.87 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 17 A 7.97 3.99 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 18 A 7.62 4.20 1.52 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 0.00 0.00 19 R 7.97 4.08 0.00 1.83 2.02 0.00 3.18 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 20 S 8.35 4.31 0.00 3.90 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 21 S 8.06 4.45 0.00 4.29 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 22 G 8.55 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.60 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 24 A 7.73 4.62 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 25 V 7.44 3.62 1.69 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 0.60 0.00 0.00 -0.13 0.00 0.00 26 W 7.78 4.88 0.00 3.35 3.18 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 27 G 8.22 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 28 D 7.80 4.34 0.00 3.03 2.80 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 29 V 8.36 3.62 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 1.02 0.00 0.00 1.13 0.00 0.00 30 A 8.31 4.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.85 3.95 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 32 R 7.82 4.04 0.00 1.86 2.06 0.00 3.16 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 1.60 1.63 0.00 33 L 7.70 3.92 0.00 1.67 1.69 0.89 0.77 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 34 E 7.70 4.18 0.00 2.07 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 2.35 2.58 0.00 35 K 7.06 4.35 0.00 2.06 1.76 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.63 7.81 36 P 0.00 4.29 0.00 2.14 1.98 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 37 R 8.52 3.61 0.00 1.80 1.91 0.00 3.10 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 38 R 7.83 3.96 0.00 1.90 2.04 0.00 3.02 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 39 T 7.55 4.06 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 1.21 0.00 0.00 40 H 7.48 4.28 0.00 3.23 3.25 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.14 4.23 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 42 E 8.78 4.88 0.00 1.81 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 2.20 2.27 0.00 43 V 8.59 4.44 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 1.01 0.00 0.00 0.93 0.00 0.00 44 N 8.52 5.25 0.00 2.71 2.98 0.00 0.00 7.60 6.74 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 45 L 8.85 4.12 0.00 1.96 1.77 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.15 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 47 R 8.13 4.10 0.00 1.98 2.09 0.00 3.15 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.88 0.00 48 I 7.71 3.84 1.93 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 1.59 1.05 0.97 0.00 0.00 49 E 7.95 3.94 0.00 1.98 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 2.42 2.33 0.00 50 R 7.42 3.86 0.00 1.59 1.75 0.00 2.69 0.00 0.00 2.84 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.28 0.00 51 Y 7.59 4.68 0.00 2.93 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 52 A 7.84 4.68 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 53 Q 8.15 4.66 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 54 E 8.61 4.05 0.00 2.06 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 2.57 2.35 0.00 55 D 8.71 4.32 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 56 E 7.60 4.63 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 57 T 8.69 4.19 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 58 V 8.83 4.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.98 0.00 0.00 59 V 8.85 4.77 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 1.01 0.00 0.00 1.09 0.00 0.00 60 V 8.88 4.68 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 0.98 0.00 0.00 0.97 0.00 0.00 61 P 0.00 4.79 0.00 2.22 2.21 0.00 3.84 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 62 G 6.29 4.39 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 0.00 63 K 8.59 4.91 0.00 1.74 1.58 0.00 1.59 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.32 7.81 64 V 8.24 4.79 2.18 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 1.09 0.00 0.00 0.88 0.00 0.00 65 L 9.56 4.81 0.00 1.72 1.59 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.39 4.20 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 0.00 67 S 8.56 4.57 0.00 4.02 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 68 G 9.08 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 0.00 0.00 0.00 0.00 69 V 7.86 4.33 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 0.83 0.00 0.00 0.93 0.00 0.00 70 L 8.43 4.91 0.00 1.60 1.51 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.72 4.56 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.61 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 72 K 8.18 4.12 0.00 1.76 1.75 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.80 7.81 73 D 8.36 5.55 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 74 V 7.73 4.62 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 0.82 0.00 0.00 1.01 0.00 0.00 75 T 8.37 4.90 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 1.26 0.00 0.00 76 V 8.70 4.90 2.30 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 1.21 0.00 0.00 1.02 0.00 0.00 77 A 9.58 5.94 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 78 A 8.33 4.90 0.61 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 79 V 8.11 3.56 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 0.69 0.00 0.00 0.86 0.00 0.00 80 D 7.24 4.64 0.00 2.67 2.35 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 81 F 8.67 5.45 0.00 2.88 2.92 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 82 S 9.04 4.34 0.00 3.95 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 83 G 9.05 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 84 T 7.91 4.01 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 85 A 8.03 4.02 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.41 3.71 0.00 2.12 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 2.12 1.88 0.00 87 T 7.25 3.81 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 1.20 0.00 0.00 88 K 8.21 4.20 0.00 1.81 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.67 7.81 89 I 7.71 3.75 1.78 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.85 0.87 0.00 0.00 90 D 7.52 4.61 0.00 2.54 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 91 Q 7.61 4.22 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 92 V 7.36 4.50 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 0.81 0.00 0.00 0.93 0.00 0.00 93 G 7.99 4.39 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 0.00 94 E 9.53 4.91 0.00 2.02 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 2.18 2.23 0.00 95 A 8.78 4.66 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.83 4.70 2.28 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 1.14 0.00 0.00 0.96 0.00 0.00 97 S 8.79 4.78 0.00 4.08 4.05 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 98 L 8.32 3.95 0.00 1.86 1.65 1.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.80 3.90 0.00 2.17 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 2.27 2.31 0.00 100 Q 8.19 3.81 0.00 2.29 2.15 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 2.37 0.00 101 A 8.03 4.08 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.36 3.13 1.53 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.17 0.37 0.48 0.00 0.00 103 E 7.25 4.17 0.00 1.87 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 2.28 2.32 0.00 104 N 8.43 4.64 0.00 2.78 2.91 0.00 0.00 6.73 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 0.00 105 N 8.73 5.13 0.00 2.82 2.98 0.00 0.00 6.85 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.71 0.00 2.31 2.24 0.00 3.51 0.00 0.00 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 107 E 8.50 4.10 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 108 G 8.06 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 0.00 109 S 8.13 4.55 0.00 3.93 3.76 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 0.00 0.00 0.00 0.00 110 H 8.48 4.02 0.00 3.34 3.34 0.00 5.56 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 0.00 111 V 7.23 4.88 1.98 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 0.46 0.00 0.00 0.89 0.00 0.00 112 R 9.13 4.50 0.00 2.03 1.82 0.00 3.13 0.00 0.00 3.08 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 113 V 8.39 4.47 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 0.81 0.00 0.00 0.88 0.00 0.00 114 I 8.46 4.67 1.89 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 1.30 1.11 0.94 0.00 0.00 115 R 8.46 4.17 0.00 1.84 1.81 0.00 3.04 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00