NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8201 8.3393 109.7392 45.2949 0.0000 172.9266 *2 V 3.8969 8.1637 121.8280 61.6287 32.5438 174.3127 3 Y 4.3808 8.4847 123.2909 56.1708 39.9767 174.9311 4 V 4.4341 7.3954 125.4776 60.1487 34.0593 175.3555 5 D 4.7495 8.7482 127.4085 52.5942 41.4854 175.1857 6 P 4.2582 0.0000 0.0000 66.0372 31.4635 178.6671 7 D 4.3968 8.1164 117.0089 57.4847 40.8299 178.7567 8 R 3.9402 8.0633 119.3204 59.3126 30.0213 178.2557 9 F 4.0608 8.7316 120.9889 61.3567 39.3349 176.6993 10 D 4.3955 8.4139 118.5313 57.5342 40.6275 178.6141 11 E 3.9319 8.0362 118.4107 59.5597 29.4066 179.5495 12 L 3.9103 7.8610 118.9078 57.4388 41.5566 179.6286 13 V 3.3417 7.8299 118.5143 65.7491 31.3664 177.7681 14 A 3.9043 7.9510 120.4705 55.3975 18.2080 179.3304 15 E 3.8660 8.1846 117.3879 59.0004 29.3890 178.8377 16 A 3.9292 7.9432 120.7227 55.0704 18.7862 179.2537 17 L 4.0463 8.1834 117.7639 58.2499 41.5485 179.5039 18 D 4.5422 8.2969 117.7333 56.8837 40.7986 178.2812 19 G 4.0352 7.5748 102.9844 43.4321 0.0000 173.9132 20 I 3.8280 7.1976 122.9931 60.5925 37.7330 174.4794 21 P 4.5271 0.0000 0.0000 62.6849 32.1713 177.2718 22 E 4.0529 8.8551 120.4364 59.3914 29.0838 179.4700 23 E 3.8883 8.0775 116.3379 58.4099 29.7733 177.9418 24 F 4.6879 7.9321 116.9582 57.2739 39.2836 177.4840 25 A 4.0077 7.6055 121.2657 55.2930 18.3649 178.8774 26 R 3.9264 7.9270 115.5424 59.4495 30.3511 179.0228 27 A 3.9922 7.1548 121.3556 51.3433 16.8731 177.1704 *29 R 3.9790 7.9453 119.6078 58.6381 31.2507 174.5712 30 N 4.1572 8.6834 123.1440 54.9834 37.4917 172.9223 31 V 4.6936 7.2773 112.0347 60.8028 33.9758 174.4091 32 A 4.7412 9.2353 129.6944 50.1941 21.7390 175.2945 33 V 4.7165 8.1484 121.4699 61.4287 32.9428 174.9283 34 F 4.8087 9.0282 126.5184 55.6174 42.2501 174.3769 35 V 4.7332 8.4579 121.9876 61.4718 33.1401 174.5539 36 E 4.8569 8.9182 126.7896 54.4655 33.1907 176.8313 37 D 4.3274 8.7216 119.9671 55.9142 40.7916 176.3360 38 E 4.7502 7.9774 118.1875 53.1886 32.6830 172.7290 39 P 4.0031 0.0000 0.0000 61.4992 32.7365 175.9298 40 D 4.2394 8.3453 119.3668 57.1079 41.1226 176.5022 41 D 4.5436 7.7360 120.1138 52.3986 41.0066 174.9287 42 P 4.3020 0.0000 0.0000 65.3848 31.5797 178.3763 43 E 4.1515 8.5292 114.5127 58.1397 29.9293 183.1352 44 L 4.3076 7.6139 118.4477 55.0906 42.3328 176.8413 45 L 4.6086 8.6570 122.2267 56.2683 43.6173 176.0636 46 G 4.3914 7.9977 103.5043 45.8817 0.0000 172.1933 47 L 4.6623 8.7145 120.1045 54.1569 46.0437 173.0460 48 Y 4.6761 8.8524 127.9449 56.5853 40.0704 174.4092 49 V 4.3310 8.6233 126.9926 61.1277 34.0899 174.4062 50 G 4.5311 8.9095 115.5873 44.8782 0.0000 172.3087 51 I 4.5531 8.5115 116.6669 57.7375 39.6302 174.1270 52 P 4.3558 0.0000 0.0000 62.5465 31.8543 176.8537 53 L 3.9666 8.7316 122.9734 58.7653 41.7513 179.6368 54 T 3.9718 7.8535 107.4795 64.0861 68.9561 175.4856 55 E 4.3089 7.9420 120.4406 57.2802 30.2159 177.1058 56 R 4.2651 7.7467 114.7613 57.0811 30.8977 176.6989 57 T 4.1804 7.4769 111.6512 60.4053 67.5406 174.2901 58 T 4.0731 7.6191 114.2235 61.9663 70.1636 175.5572 59 A 3.8802 8.4106 125.4285 54.4792 18.5915 178.1205 60 Y 4.7474 7.8737 109.3407 57.7171 39.7327 176.2245 61 G 4.0902 7.9467 107.6656 44.6609 0.0000 175.2614 62 G 3.6909 7.9119 109.0731 45.0152 0.0000 172.7852 63 V 4.4658 8.1796 122.0493 61.4129 32.0009 177.4747 64 L 4.3843 8.8582 129.3849 54.2575 42.2055 175.4760 65 P 4.8174 0.0000 0.0000 62.1494 33.0191 175.4747 66 D 4.6102 8.4557 121.1283 54.5815 42.4361 175.4095 67 R 5.0873 8.4907 118.7050 54.5010 34.1994 174.8478 68 I 4.6862 8.5917 123.5777 59.6325 39.7903 174.6702 69 I 4.6652 8.6958 129.1225 60.3302 38.7970 174.8764 70 I 4.6501 8.5112 127.7750 59.6469 40.3039 174.2319 71 Y 4.9422 8.4102 124.6002 56.7394 38.8592 176.8094 72 R 3.1160 8.9973 125.5579 59.1235 30.2453 178.9913 73 N 4.2207 8.3319 116.6385 56.5115 38.3309 177.6742 74 T 3.9777 7.7777 109.5181 64.6084 69.4261 176.4602 75 I 3.9131 7.7515 122.4259 64.5912 37.2709 178.3026 76 C 4.2474 8.3750 117.3324 62.6410 27.6626 175.9677 77 A 4.0694 7.7718 121.3962 54.6486 17.9969 178.6772 78 L 4.3463 7.6916 114.9125 54.5368 42.4856 176.4151 79 C 5.1444 7.6108 116.5419 58.0537 31.2230 173.7203 80 E 4.6353 9.4102 121.6685 56.4669 31.0111 176.5024 81 T 4.7843 7.3757 108.4898 58.8956 73.3217 174.2836 82 E 3.9855 8.7176 121.0271 59.7329 29.4818 179.7632 83 S 4.1015 8.0553 114.5982 61.7519 62.8684 176.4240 84 E 3.9695 8.3578 121.2177 59.2699 29.1259 179.5300 85 V 3.5803 7.8634 118.1795 66.0876 31.5234 177.8644 86 I 3.5635 7.8573 119.6545 64.7305 36.9339 178.0150 87 D 4.3654 8.1397 119.3477 57.4674 40.5818 178.6710 88 E 3.9641 8.5314 120.0566 59.0412 29.5867 178.9345 89 V 3.5539 8.1616 118.8134 65.9303 31.5530 177.8783 90 R 3.8109 8.2100 118.7155 59.3235 29.9027 178.1943 91 K 4.1064 8.4592 119.6858 59.9697 32.1326 178.7569 92 T 3.8181 8.0735 115.9085 66.6866 68.4130 176.7800 93 V 3.5284 7.8991 120.2105 65.9594 31.4448 178.2041 94 V 3.0720 7.6809 117.9920 66.0544 31.0954 177.6374 95 H 3.8804 8.4555 116.3224 58.9565 28.5388 177.7024 96 E 3.9723 8.3356 120.4183 59.3678 29.1780 179.2811 97 I 3.7771 7.9954 118.5950 63.7985 37.9688 177.8201 98 A 4.1133 8.2153 121.9533 55.6579 18.2573 179.2776 99 H 4.3933 8.3160 116.3464 58.7804 28.5201 177.4487 100 H 3.7335 7.8553 119.0452 58.5240 29.4814 176.2319 101 F 4.7816 7.5652 117.2631 57.0738 39.3594 176.6204 102 G 3.8767 7.9161 105.6263 45.8288 0.0000 173.8532 103 I 4.1544 8.0222 122.0589 60.1043 38.0427 175.7784 104 D 4.6550 8.3559 125.5233 52.2656 42.3176 177.0974 105 D 4.3115 8.4456 119.0177 57.5105 40.4862 178.8835 106 E 3.9061 7.9427 117.9555 59.3294 29.8387 179.3920 107 R 4.0812 7.8789 117.5542 59.3798 30.2303 178.6311 108 L 4.0933 8.0309 118.7420 58.5249 41.4682 179.5361 109 H 4.4150 8.5008 118.5596 59.4760 28.4108 178.0276 110 E 3.9997 7.8697 115.6418 59.1375 29.5143 179.9634 111 L 4.3455 7.9831 115.9073 55.1927 41.9426 177.5455 112 G 3.9064 8.6894 107.4573 45.6742 0.0000 173.4836 113 Y 4.2235 8.2131 122.8541 57.8426 38.4757 175.5103 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 0 G 8.34 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 *2 V 8.16 3.90 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 0.87 0.00 0.00 1.00 0.00 0.00 3 Y 8.48 4.38 0.00 3.01 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 4 V 7.40 4.43 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 1.12 0.00 0.00 1.04 0.00 0.00 5 D 8.75 4.75 0.00 3.03 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 6 P 0.00 4.26 0.00 2.20 2.15 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 7 D 8.12 4.40 0.00 2.87 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 8 R 8.06 3.94 0.00 1.98 2.21 0.00 3.25 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 9 F 8.73 4.06 0.00 3.21 3.12 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 10 D 8.41 4.40 0.00 2.93 2.70 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 11 E 8.04 3.93 0.00 2.23 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 0.00 2.32 2.47 0.00 12 L 7.86 3.91 0.00 1.39 1.44 0.84 0.61 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 13 V 7.83 3.34 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 0.96 0.00 0.00 0.74 0.00 0.00 14 A 7.95 3.90 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 15 E 8.18 3.87 0.00 2.11 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 2.30 2.20 0.00 16 A 7.94 3.93 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 17 L 8.18 4.05 0.00 1.89 1.70 0.92 0.91 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 18 D 8.30 4.54 0.00 2.75 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 19 G 7.57 4.04 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 0.00 0.00 0.00 20 I 7.20 3.83 2.00 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 1.21 0.76 0.97 0.00 0.00 21 P 0.00 4.53 0.00 2.44 2.13 0.00 3.88 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.37 0.00 22 E 8.86 4.05 0.00 2.04 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 0.00 2.40 2.45 0.00 23 E 8.08 3.89 0.00 1.74 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 0.00 1.85 1.47 0.00 24 F 7.93 4.69 0.00 3.07 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 25 A 7.61 4.01 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 26 R 7.93 3.93 0.00 1.73 1.92 0.00 3.29 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 27 A 7.15 3.99 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 *29 R 7.95 3.98 0.00 1.98 1.95 0.00 3.36 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 30 N 8.68 4.16 0.00 3.01 2.85 0.00 0.00 6.63 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 31 V 7.28 4.69 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 0.79 0.00 0.00 1.06 0.00 0.00 32 A 9.24 4.74 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 33 V 8.15 4.72 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 0.83 0.00 0.00 0.88 0.00 0.00 34 F 9.03 4.81 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 35 V 8.46 4.73 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 0.71 0.00 0.00 1.20 0.00 0.00 36 E 8.92 4.86 0.00 1.94 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 2.23 2.17 0.00 37 D 8.72 4.33 0.00 2.68 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 38 E 7.98 4.75 0.00 1.83 1.76 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 2.12 2.23 0.00 39 P 0.00 4.00 0.00 1.84 0.49 0.00 3.59 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 40 D 8.35 4.24 0.00 2.61 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 41 D 7.74 4.54 0.00 2.63 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.04 2.05 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 43 E 8.53 4.15 0.00 1.98 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 0.00 2.26 2.15 0.00 44 L 7.61 4.31 0.00 1.51 1.75 0.95 1.07 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 45 L 8.66 4.61 0.00 1.67 1.78 0.95 0.89 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 46 G 8.00 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 47 L 8.71 4.66 0.00 1.98 1.58 1.01 0.94 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 48 Y 8.85 4.68 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 49 V 8.62 4.33 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 0.95 0.00 0.00 0.90 0.00 0.00 50 G 8.91 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.51 4.55 1.86 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 1.42 0.79 0.87 0.00 0.00 52 P 0.00 4.36 0.00 2.20 2.03 0.00 3.74 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 2.28 2.09 0.00 53 L 8.73 3.97 0.00 1.77 1.68 0.93 0.73 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 54 T 7.85 3.97 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 55 E 7.94 4.31 0.00 2.09 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 2.30 0.00 56 R 7.75 4.27 0.00 2.14 2.25 0.00 2.78 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 57 T 7.48 4.18 4.22 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 1.25 0.00 0.00 58 T 7.62 4.07 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 1.22 0.00 0.00 59 A 8.41 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.87 4.75 0.00 3.01 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 61 G 7.95 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 62 G 7.91 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 63 V 8.18 4.47 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 0.84 0.00 0.00 0.93 0.00 0.00 64 L 8.86 4.38 0.00 1.54 1.60 0.98 1.02 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 65 P 0.00 4.82 0.00 2.18 2.21 0.00 3.81 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 2.05 2.06 0.00 66 D 8.46 4.61 0.00 2.54 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 0.00 0.00 0.00 67 R 8.49 5.09 0.00 1.52 1.72 0.00 2.75 0.00 0.00 2.48 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.44 0.00 68 I 8.59 4.69 1.82 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 1.21 0.84 0.89 0.00 0.00 69 I 8.70 4.67 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.84 0.41 0.00 0.00 70 I 8.51 4.65 1.92 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 1.19 1.03 1.09 0.00 0.00 71 Y 8.41 4.94 0.00 2.98 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 72 R 9.00 3.12 0.00 1.50 1.42 0.00 2.50 0.00 0.00 2.71 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.69 0.00 73 N 8.33 4.22 0.00 2.78 2.81 0.00 0.00 6.83 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 74 T 7.78 3.98 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 1.24 0.00 0.00 75 I 7.75 3.91 2.11 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 1.72 1.33 1.10 0.00 0.00 76 C 8.38 4.25 0.00 2.96 3.14 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 77 A 7.77 4.07 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 78 L 7.69 4.35 0.00 1.81 1.74 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 79 C 7.61 5.14 0.00 2.96 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 80 E 9.41 4.64 0.00 1.92 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 2.27 2.22 0.00 81 T 7.38 4.78 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 82 E 8.72 3.99 0.00 2.04 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 2.43 2.44 0.00 83 S 8.06 4.10 0.00 3.86 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 84 E 8.36 3.97 0.00 2.18 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 2.33 2.32 0.00 85 V 7.86 3.58 2.24 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 0.98 0.00 0.00 1.01 0.00 0.00 86 I 7.86 3.56 1.99 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 1.59 0.58 0.87 0.00 0.00 87 D 8.14 4.37 0.00 2.86 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 88 E 8.53 3.96 0.00 2.21 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 2.34 2.39 0.00 89 V 8.16 3.55 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 0.92 0.00 0.00 0.77 0.00 0.00 90 R 8.21 3.81 0.00 1.98 2.12 0.00 3.28 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 91 K 8.46 4.11 0.00 2.05 2.02 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.71 7.81 92 T 8.07 3.82 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 1.22 0.00 0.00 93 V 7.90 3.53 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 0.94 0.00 0.00 0.91 0.00 0.00 94 V 7.68 3.07 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 -0.57 0.00 0.00 0.09 0.00 0.00 95 H 8.46 3.88 0.00 3.32 3.20 0.00 5.69 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 96 E 8.34 3.97 0.00 2.16 2.16 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 2.54 2.52 0.00 97 I 8.00 3.78 1.96 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 1.01 0.00 0.00 98 A 8.22 4.11 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 99 H 8.32 4.39 0.00 3.14 3.31 0.00 5.66 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 0.00 100 H 7.86 3.73 0.00 2.26 2.91 0.00 5.93 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 7.57 4.78 0.00 3.07 2.98 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 0.00 102 G 7.92 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 0.00 103 I 8.02 4.15 2.06 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 1.41 0.98 0.96 0.00 0.00 104 D 8.36 4.66 0.00 2.84 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 0.00 105 D 8.45 4.31 0.00 2.71 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 0.00 106 E 7.94 3.91 0.00 2.06 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 2.35 2.51 0.00 107 R 7.88 4.08 0.00 2.00 2.01 0.00 3.33 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 108 L 8.03 4.09 0.00 1.86 1.71 0.79 0.98 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 0.00 109 H 8.50 4.41 0.00 3.37 3.36 0.00 5.64 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 0.00 110 E 7.87 4.00 0.00 2.02 1.89 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 2.27 2.18 0.00 111 L 7.98 4.35 0.00 2.06 2.07 1.07 1.01 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 0.00 112 G 8.69 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 0.00 0.00 0.00 113 Y 8.21 4.22 0.00 2.98 2.86 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 * Residues marked with a * may have inaccurate shift predictions.