NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3533 8.1693 120.6297 55.0201 43.0005 175.7750 2 E 4.2900 8.6045 115.7246 55.8051 31.0117 173.9697 3 A 4.6827 7.9040 120.7838 50.1686 23.5147 176.1139 4 V 4.5171 8.2131 118.9489 61.8177 33.6781 174.3419 5 T 5.1804 9.7192 125.9285 61.9782 70.9743 173.6380 6 I 4.7873 8.6879 127.7361 59.3652 39.7632 174.5226 7 L 4.6836 8.7978 130.3839 54.4046 43.4422 174.9879 8 L 5.2482 9.1411 128.6020 53.2205 44.9258 174.7296 9 A 5.3617 9.1954 128.6114 50.4265 21.6177 174.1377 10 D 5.2235 9.0037 121.3301 53.6392 44.9738 175.6240 11 D 4.8598 9.0354 122.9631 53.3575 40.4567 176.5192 12 E 4.3770 8.9601 121.8532 55.0091 30.1806 176.1641 13 A 4.0612 8.5220 127.4746 55.3053 18.4751 179.0598 14 I 3.5851 7.5928 117.6921 64.3648 37.1480 178.5746 15 L 3.2571 7.5510 119.3020 57.2938 41.4913 178.8225 16 L 3.9720 8.1318 120.6968 58.1972 41.9981 178.8304 17 L 3.8841 8.1163 120.3850 58.1073 42.0290 178.4045 18 D 4.2157 7.7759 117.8393 57.4608 41.1583 178.2440 19 F 4.6273 7.8640 120.0130 59.9548 38.8600 177.1416 20 E 4.0160 8.5419 119.4497 59.5394 29.4610 179.2044 21 S 4.3454 8.4910 115.7454 60.9431 62.5696 176.5225 22 T 3.9343 8.0660 113.5120 64.7607 68.6665 176.6661 23 L 4.2698 8.2884 122.5230 57.5717 41.5188 179.6024 24 T 4.7639 8.1968 111.2977 64.5657 68.5357 176.4667 25 D 4.3705 8.1805 120.5124 56.4610 40.9074 177.6389 26 A 4.3621 7.4482 119.4077 51.7312 19.1050 177.5458 27 G 3.7837 7.4533 103.5984 44.9451 0.0000 174.4898 28 F 4.7702 8.0476 119.1887 56.9834 40.6751 174.8874 29 L 4.7473 8.7654 121.8400 54.1033 43.3117 175.9232 30 V 4.7984 8.3522 121.8772 61.4996 34.3707 174.8562 31 T 4.4903 8.8731 124.7574 62.1806 69.6728 173.0746 32 A 5.1086 8.4583 128.7325 50.5968 20.6393 176.3656 33 V 4.5771 9.0112 115.3995 59.9525 36.4299 176.6593 34 S 5.0464 8.9427 116.0417 58.2103 63.9472 174.1080 35 S 4.1273 7.3206 114.9136 55.2107 67.0730 174.8255 36 G 3.1787 6.1997 108.9534 47.5878 0.0000 175.6290 37 A 3.9291 7.6737 122.5202 55.1878 18.1761 179.8384 38 K 3.8955 7.8453 115.2111 59.2068 32.1126 179.2536 39 A 4.0972 7.6125 120.4968 55.2343 18.6067 179.4361 40 I 3.8475 7.8851 118.4846 64.2678 37.2501 178.9835 41 E 4.0275 8.0543 117.6301 56.8155 29.3570 178.4378 *43 L 4.2587 7.8666 118.4219 54.3537 43.4604 179.2777 44 K 4.1632 8.5272 115.9726 58.2795 32.1585 178.5572 45 S 4.1320 7.7737 113.1470 59.6233 63.1575 175.4691 46 G 3.8732 7.8720 108.4869 45.0748 0.0000 173.3728 47 A 3.9575 7.6497 121.2362 51.5138 18.8775 178.2299 48 A 4.1360 8.4556 124.1949 52.0725 17.9223 177.2253 49 I 4.4782 8.1739 122.8939 60.6005 39.2920 175.7013 50 D 4.7440 9.0860 125.6066 55.1073 41.8278 176.7941 51 G 4.1416 7.5899 103.7355 45.1486 0.0000 172.3067 52 V 4.8234 8.6196 121.4162 60.6880 34.7491 174.3875 53 V 4.6495 8.9372 128.0786 61.3950 33.8555 174.0403 54 T 5.1803 8.7128 122.5800 60.0570 71.2344 172.7095 55 D 4.8873 9.1143 128.1005 54.2985 42.1522 176.9729 56 I 3.2987 8.1026 117.5507 62.4607 38.9088 175.8967 57 R 4.5773 7.5770 121.4382 54.0708 32.4993 173.8745 58 F 5.1519 8.2769 121.7181 55.4578 42.9087 174.8446 59 C 4.3525 8.3469 116.4537 62.6288 27.8895 174.7200 60 Q 4.7879 7.6974 115.4158 52.8679 31.6841 173.5819 61 P 4.4721 0.0000 0.0000 62.3587 31.9935 174.8075 62 P 4.5447 0.0000 0.0000 62.2856 32.3016 176.6456 63 D 5.1034 8.4811 121.5279 52.4216 42.5324 177.6544 64 G 4.0822 8.8277 107.2871 46.9442 0.0000 175.9326 65 W 4.7764 7.7484 120.9327 60.1599 29.1453 178.1337 66 Q 4.1283 8.7919 119.4284 58.9998 28.4951 178.2336 67 V 3.6194 7.9951 119.1872 66.0807 31.5746 177.9588 68 A 4.0894 8.3414 120.4488 55.1042 18.1230 179.8811 69 R 3.9304 8.0837 116.3347 59.3982 30.2209 179.4224 70 V 3.7307 7.9650 117.8514 65.8822 31.4728 177.8146 71 A 3.9922 8.0691 120.4960 55.5051 17.8962 179.9445 72 R 4.4692 8.1623 117.6958 58.6851 29.8505 179.1396 73 E 4.0106 8.2470 118.2343 59.2868 29.4802 179.2016 74 I 4.1437 7.5274 118.8345 62.7993 37.6267 176.0721 75 D 4.5923 8.3839 122.3175 51.6239 42.6968 173.9417 76 P 4.5651 0.0000 0.0000 63.9532 31.6647 175.9355 77 N 4.7179 8.0951 117.4397 51.0337 40.0481 172.4861 *79 P 4.2218 0.0000 0.0000 62.3907 33.5258 175.3643 80 I 4.7136 8.1892 124.2191 59.3812 40.6681 174.3155 81 V 4.6702 8.5067 127.5576 61.2042 34.0033 173.9106 82 Y 4.9956 8.9707 126.0820 56.9647 40.1427 174.4900 83 I 4.9458 8.8632 124.2177 59.5778 40.1269 174.8978 84 S 4.7267 8.9721 120.3494 56.8485 66.6249 174.7103 85 G 3.9591 8.5591 109.1916 45.7969 0.0000 172.9212 86 H 4.7469 8.0466 113.6817 56.7009 31.3368 175.7316 87 A 4.8821 7.7774 120.7232 51.4494 19.6225 178.0244 88 A 4.3051 8.1389 124.2516 55.7327 19.0360 179.4688 89 L 4.0074 8.0445 117.6816 58.2528 41.7626 179.3689 90 E 3.9326 8.1674 117.9296 58.9406 29.4087 178.8332 91 W 3.7572 8.3371 128.3761 60.3910 30.4694 177.6840 92 A 3.6552 7.8165 119.5591 54.4196 17.8369 178.7673 93 S 4.3394 7.0255 109.3403 58.5078 64.2765 174.6553 94 N 4.3100 7.0499 118.1954 53.2143 40.2326 175.6091 95 G 3.5766 6.9654 106.7329 45.3023 0.0000 173.6613 96 V 4.1058 8.5983 114.6013 59.2735 32.8394 174.4968 97 P 4.3036 0.0000 0.0000 64.1591 31.5988 176.6422 98 D 4.6025 8.8658 119.7835 54.8262 38.4324 174.2553 99 S 4.7578 7.7475 112.7570 58.2732 64.5683 173.4384 100 I 4.4854 8.4715 121.3693 59.5426 39.7172 174.4498 101 I 4.7087 7.6746 125.9997 59.1202 39.9710 174.2308 102 L 4.4259 8.6228 129.9537 53.0034 43.5838 175.2752 103 E 4.9130 8.5573 123.7739 54.9863 30.6777 176.4899 104 K 4.4314 9.2093 125.4202 55.9366 32.6724 175.3563 105 P 4.5426 0.0000 0.0000 62.0831 32.6180 175.2772 106 F 5.0797 7.4370 113.7150 54.5730 40.9328 174.8226 107 T 4.4052 8.8327 113.6820 60.5961 71.3105 176.0355 108 S 4.2310 8.6593 115.9809 61.9337 62.6709 176.3878 109 A 4.0463 8.1125 124.0417 54.8174 17.9989 179.4534 110 Q 3.9176 8.0662 116.0099 59.0101 28.7498 178.8054 111 L 3.7483 7.8062 121.2877 58.0372 42.0522 178.9428 112 I 3.7272 7.8810 119.7373 64.8229 37.0225 178.5353 113 T 3.8500 8.1642 116.3332 66.4577 68.3512 176.4398 114 A 3.8939 8.1234 122.8374 55.2044 18.4503 179.7673 115 V 3.3819 7.7741 116.5826 66.2772 31.4922 178.4136 116 S 4.2835 8.3292 115.0042 61.8481 62.8165 176.7745 117 Q 4.0223 8.3696 120.9460 58.9445 28.1940 178.8875 118 L 4.0484 7.6692 119.0382 57.6408 41.8602 179.2013 119 L 4.1646 8.0762 119.0233 57.9566 41.3754 179.3510 120 N 4.4121 8.4237 115.4537 55.8897 38.5493 176.5873 121 A 4.2452 7.6934 119.4921 52.1207 19.2465 177.9601 122 R 3.8835 6.9776 116.5527 57.0073 30.8470 176.4748 123 E 4.5327 9.0156 120.5338 56.3231 30.1705 175.8380 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 L 8.17 4.35 0.00 1.66 1.71 0.93 0.57 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 2 E 8.60 4.29 0.00 2.11 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 0.00 2.18 2.43 0.00 3 A 7.90 4.68 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 4 V 8.21 4.52 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 1.27 0.00 0.00 0.95 0.00 0.00 5 T 9.72 5.18 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 1.23 0.00 0.00 6 I 8.69 4.79 1.78 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 0.94 0.40 0.76 0.00 0.00 7 L 8.80 4.68 0.00 1.75 1.52 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 8 L 9.14 5.25 0.00 1.76 1.51 1.03 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 9 A 9.20 5.36 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 10 D 9.00 5.22 0.00 3.02 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 9.04 4.86 0.00 2.95 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 12 E 8.96 4.38 0.00 2.00 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 2.27 2.44 0.00 13 A 8.52 4.06 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 14 I 7.59 3.59 1.77 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 1.58 0.58 0.80 0.00 0.00 15 L 7.55 3.26 0.00 1.71 1.24 0.93 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.13 3.97 0.00 1.85 1.83 1.08 0.64 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 17 L 8.12 3.88 0.00 1.78 1.78 0.91 0.98 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 18 D 7.78 4.22 0.00 2.70 2.32 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 0.00 0.00 0.00 0.00 19 F 7.86 4.63 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.54 4.02 0.00 2.21 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 0.00 2.35 2.37 0.00 21 S 8.49 4.35 0.00 4.13 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 22 T 8.07 3.93 4.35 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 1.40 0.00 0.00 23 L 8.29 4.27 0.00 2.01 1.89 0.89 0.23 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 24 T 8.20 4.76 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 1.38 0.00 0.00 25 D 8.18 4.37 0.00 2.95 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 26 A 7.45 4.36 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 27 G 7.45 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 28 F 8.05 4.77 0.00 3.17 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.77 4.75 0.00 1.68 1.62 0.94 0.64 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 30 V 8.35 4.80 2.13 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 0.89 0.00 0.00 1.01 0.00 0.00 31 T 8.87 4.49 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 32 A 8.46 5.11 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 33 V 9.01 4.58 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 0.89 0.00 0.00 0.92 0.00 0.00 34 S 8.94 5.05 0.00 3.86 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 35 S 7.32 4.13 0.00 3.70 3.75 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 36 G 6.20 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 0.00 0.00 0.00 37 A 7.67 3.93 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 38 K 7.85 3.90 0.00 1.76 1.82 0.00 1.70 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.55 7.81 39 A 7.61 4.10 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 40 I 7.89 3.85 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.71 0.91 0.00 0.00 41 E 8.05 4.03 0.00 2.11 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 0.00 2.30 2.35 0.00 *43 L 7.87 4.26 0.00 1.95 1.74 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.53 4.16 0.00 1.77 1.86 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.46 7.81 45 S 7.77 4.13 0.00 4.01 4.16 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 46 G 7.87 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 0.00 0.00 0.00 47 A 7.65 3.96 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 48 A 8.46 4.14 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 49 I 8.17 4.48 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.99 0.95 0.00 0.00 50 D 9.09 4.74 0.00 2.66 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 51 G 7.59 4.14 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 0.00 52 V 8.62 4.82 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 0.98 0.00 0.00 0.90 0.00 0.00 53 V 8.94 4.65 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.75 0.00 0.00 54 T 8.71 5.18 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 1.25 0.00 0.00 55 D 9.11 4.89 0.00 2.69 1.63 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 56 I 8.10 3.30 0.76 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.39 0.08 0.00 0.00 57 R 7.58 4.58 0.00 1.64 1.65 0.00 3.20 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 58 F 8.28 5.15 0.00 3.22 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 59 C 8.35 4.35 0.00 3.09 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 60 Q 7.70 4.79 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 61 P 0.00 4.47 0.00 2.07 2.05 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 62 P 0.00 4.54 0.00 2.08 2.02 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 63 D 8.48 5.10 0.00 3.19 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 64 G 8.83 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 0.00 0.00 0.00 65 W 7.75 4.78 0.00 3.56 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 66 Q 8.79 4.13 0.00 2.31 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 67 V 8.00 3.62 2.34 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 0.99 0.00 0.00 1.03 0.00 0.00 68 A 8.34 4.09 1.58 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 69 R 8.08 3.93 0.00 2.11 2.05 0.00 3.20 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.03 0.00 70 V 7.97 3.73 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 1.02 0.00 0.00 1.01 0.00 0.00 71 A 8.07 3.99 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 72 R 8.16 4.47 0.00 1.95 2.01 0.00 3.39 0.00 0.00 3.48 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 73 E 8.25 4.01 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 2.36 2.48 0.00 74 I 7.53 4.14 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.56 0.92 0.00 0.00 75 D 8.38 4.59 0.00 2.66 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.57 0.00 2.22 2.17 0.00 3.41 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 77 N 8.10 4.72 0.00 2.88 2.79 0.00 0.00 6.95 7.63 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 *79 P 0.00 4.22 0.00 2.04 1.98 0.00 3.65 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 80 I 8.19 4.71 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.25 0.25 0.00 0.00 81 V 8.51 4.67 1.86 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 0.78 0.00 0.00 0.76 0.00 0.00 82 Y 8.97 5.00 0.00 2.82 2.63 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 83 I 8.86 4.95 1.87 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.91 1.21 0.00 0.00 84 S 8.97 4.73 0.00 3.85 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 85 G 8.56 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 86 H 8.05 4.75 0.00 3.12 3.34 0.00 5.84 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 87 A 7.78 4.88 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 88 A 8.14 4.31 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 89 L 8.04 4.01 0.00 1.79 1.76 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.17 3.93 0.00 2.48 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 0.00 2.44 2.43 0.00 91 W 8.34 3.76 0.00 3.50 3.43 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 92 A 7.82 3.66 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 93 S 7.03 4.34 0.00 3.85 3.81 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 94 N 7.05 4.31 0.00 1.44 1.42 0.00 0.00 6.93 7.67 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 95 G 6.97 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 96 V 8.60 4.11 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 1.04 0.00 0.00 1.09 0.00 0.00 97 P 0.00 4.30 0.00 2.04 1.97 0.00 3.80 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 98 D 8.87 4.60 0.00 2.88 2.85 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 99 S 7.75 4.76 0.00 4.26 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 0.00 100 I 8.47 4.49 1.77 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 1.08 0.60 0.74 0.00 0.00 101 I 7.67 4.71 1.19 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.90 -0.28 0.00 0.00 102 L 8.62 4.43 0.00 0.69 0.65 0.07 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.56 4.91 0.00 1.84 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 2.25 2.27 0.00 104 K 9.21 4.43 0.00 1.63 1.75 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.70 7.81 105 P 0.00 4.54 0.00 2.13 1.99 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 106 F 7.44 5.08 0.00 3.13 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 0.00 107 T 8.83 4.41 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 1.24 0.00 0.00 108 S 8.66 4.23 0.00 4.15 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 0.00 109 A 8.11 4.05 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 0.00 110 Q 8.07 3.92 0.00 2.47 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 111 L 7.81 3.75 0.00 1.69 1.83 0.61 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.88 3.73 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.71 1.04 0.00 0.00 113 T 8.16 3.85 4.35 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 1.21 0.00 0.00 114 A 8.12 3.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.77 3.38 1.80 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 0.48 0.00 0.00 0.74 0.00 0.00 116 S 8.33 4.28 0.00 4.00 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 0.00 117 Q 8.37 4.02 0.00 2.19 2.15 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 2.39 2.41 0.00 118 L 7.67 4.05 0.00 1.75 1.71 0.86 1.01 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 0.00 119 L 8.08 4.16 0.00 1.93 1.78 1.13 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 120 N 8.42 4.41 0.00 2.82 2.90 0.00 0.00 7.05 7.16 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 0.00 121 A 7.69 4.25 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 0.00 122 R 6.98 3.88 0.00 1.89 1.90 0.00 3.16 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 123 E 9.02 4.53 0.00 1.99 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 0.00 2.10 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.