NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.0067 8.3149 120.0054 56.2212 34.2449 176.6494 7 L 3.3314 7.6300 112.6848 54.8390 37.9593 172.2315 8 H 4.9863 8.9026 119.5592 53.3985 32.3922 173.2429 9 K 4.6352 8.3109 120.5233 55.2219 33.9661 175.5964 10 E 4.7612 8.2993 121.0820 54.1666 33.1565 172.4202 11 P 4.7899 0.0000 0.0000 63.0005 32.1007 175.2698 12 A 4.7406 8.9515 126.0919 50.4618 21.3089 175.9087 13 T 4.4368 8.3656 118.6212 61.7603 70.7642 173.2744 14 L 4.4906 8.4519 129.2760 54.6200 42.6378 175.8988 15 I 4.2440 8.8963 128.9312 62.6932 37.5418 176.0425 16 K 4.5746 7.5267 118.3638 55.6639 35.3618 174.3221 17 A 4.3653 8.7169 125.1951 52.6283 18.8216 176.2948 18 I 4.3502 8.0703 119.7954 62.1177 39.5451 176.4791 19 D 4.6877 7.5572 118.7922 52.0285 41.4973 175.7079 20 G 3.6410 9.2694 105.8345 48.3154 0.0000 173.7265 21 D 5.0994 8.5737 116.2606 52.6763 41.7861 175.3195 22 T 5.2444 8.0323 108.6878 60.6224 72.4326 173.2160 23 V 4.7748 8.8007 115.5510 59.7729 36.9305 173.9850 24 K 4.9963 9.3557 125.0093 55.2364 33.5738 175.2288 25 L 5.1490 9.0156 127.6560 53.2102 45.0308 175.8580 26 M 4.7348 8.9101 122.9933 54.8709 32.6023 174.7542 27 Y 4.4827 9.2188 128.9651 56.8902 40.1094 176.0824 28 K 3.9862 8.8581 127.3233 58.0286 29.7843 174.9165 29 G 4.2385 8.3752 107.3252 45.6789 0.0000 174.0950 30 Q 4.5705 8.1414 119.1569 53.7268 30.3709 173.6710 31 P 4.9167 0.0000 0.0000 63.2374 32.1465 175.5105 32 M 4.8369 9.2594 124.5532 53.9828 36.0120 174.0088 33 T 4.5768 8.7666 123.1956 63.7562 70.1347 173.1267 34 F 4.9683 9.5968 125.3730 55.6217 41.9599 174.3068 35 R 5.0445 8.9488 124.1036 54.3965 32.1025 175.1924 36 L 4.4437 8.6048 127.1993 54.5865 41.9929 177.2135 37 L 3.9856 8.5453 124.1417 55.4971 42.9134 177.8242 38 L 4.4155 8.8420 119.4833 55.2245 39.2761 174.0346 39 V 5.1700 7.3589 110.5383 59.8881 36.2560 174.8707 40 D 4.9337 9.0320 121.5495 53.3777 44.2437 174.5415 41 T 4.8243 8.9924 116.9949 59.9294 71.0122 172.7347 42 P 4.5670 0.0000 0.0000 62.6689 32.1746 176.1991 43 E 4.1563 9.1967 122.4494 57.0365 30.1726 178.1528 *50 F 4.7251 8.6145 115.9871 56.4339 39.7365 175.5315 51 N 4.3716 7.1409 115.8245 52.0294 37.3729 173.7188 52 E 4.4942 7.7670 119.0732 54.1809 31.9834 175.2255 53 K 3.8757 8.1245 121.4531 57.8479 32.7786 176.7298 54 Y 4.0701 7.6533 120.4581 58.6089 36.2611 171.7800 55 G 3.5730 8.3355 108.1221 47.5886 0.0000 174.3104 56 P 4.3295 0.0000 0.0000 64.9298 31.1765 178.7131 57 E 4.0005 8.1897 116.8204 59.3161 29.5519 178.7900 58 A 4.0439 8.4747 121.1724 55.4513 18.1552 179.6376 59 S 4.0784 8.3923 113.4745 62.0397 63.0041 177.0858 60 A 4.0646 8.2008 123.1590 54.7595 17.9875 179.5982 61 F 3.9474 8.5315 119.4886 61.8303 39.5928 177.4438 62 T 3.9407 8.1516 115.4239 66.5232 68.2043 176.2982 63 K 3.8879 8.1762 121.3063 59.7547 32.1942 179.0461 64 K 3.9635 8.0722 118.5947 59.4196 31.7031 179.1211 65 M 3.8159 7.7993 117.9609 58.5274 32.2693 178.1467 66 V 3.7710 7.8786 118.2428 65.6598 31.5700 177.7437 67 E 3.9653 8.2425 117.6600 59.6502 29.3570 178.2156 68 N 4.4330 8.2689 113.7013 54.5798 38.9073 175.2298 69 A 4.5405 7.6988 122.3484 50.5333 19.1786 177.3802 70 K 3.9246 9.1204 123.2404 59.3505 32.8911 176.8988 71 K 4.4312 8.7628 124.8033 54.2419 33.8032 174.7158 72 K 5.1083 8.5442 127.4430 54.8067 34.5705 175.4229 73 E 5.3284 9.3415 123.8528 54.4540 33.8565 174.8887 74 V 4.8224 8.7657 121.8234 59.8766 34.7253 174.2448 75 E 4.6545 9.1114 124.0372 54.4374 32.3322 174.9025 76 F 4.6855 8.7700 125.7237 57.6018 40.1781 175.6705 77 D 4.9494 8.4591 120.3295 53.4966 43.1841 175.8326 78 K 4.3475 8.9184 117.3613 57.8435 33.2072 178.5002 79 G 4.2182 8.1230 109.7796 44.5810 0.0000 173.8380 80 Q 4.0161 8.6183 121.2973 56.6141 29.1030 177.4483 81 R 4.5438 8.4340 118.7090 56.3378 31.3711 175.8914 82 T 4.9211 7.3408 107.0079 59.7454 71.9151 173.3700 83 D 5.1096 8.5914 122.7748 51.0183 41.5762 176.9736 84 K 3.8177 8.1188 116.9724 59.1325 32.5311 176.9239 85 Y 4.4535 7.7700 116.2503 57.4142 38.0116 176.1208 86 G 3.8777 8.1913 107.5790 45.9478 0.0000 174.3279 87 R 4.1980 8.1551 119.5077 55.1986 31.5047 176.5722 88 G 2.9503 8.1783 110.6339 46.2204 0.0000 172.2404 89 L 5.3925 8.4927 122.9042 52.7949 44.0186 175.7666 90 A 4.5334 8.4135 124.4440 50.9755 23.4548 174.2704 91 Y 4.8688 8.7182 117.4240 57.4358 39.7901 175.0711 92 I 4.9846 8.6490 123.6278 59.7675 40.4075 174.2394 93 Y 5.2409 9.3727 123.4467 56.0797 41.9842 174.5467 94 A 4.8795 9.1746 124.2255 50.4243 21.9673 176.2072 95 D 4.4445 10.3430 124.9979 55.6469 39.2148 176.0153 96 G 4.0085 8.5554 106.3948 45.1319 0.0000 173.8656 97 K 4.5420 7.8963 120.0252 55.0167 33.8236 175.3672 98 M 4.0858 8.4057 122.8531 54.6737 33.3702 177.0442 99 V 3.6335 8.5303 127.0276 66.2149 31.7121 177.5456 100 N 4.2928 8.1811 115.7384 56.5900 38.3875 176.7826 101 E 3.9188 8.0752 119.5018 59.2798 29.8948 178.4688 102 A 4.0965 8.1435 120.8273 55.0607 18.3477 179.6147 103 L 3.5106 8.1470 117.6431 57.8059 41.7216 179.9404 104 V 3.8633 7.4291 119.5707 65.5850 31.2961 177.9064 105 R 4.0896 8.1569 117.5896 59.3379 29.9200 177.4829 106 Q 4.3137 7.7356 114.9212 54.9511 29.0778 175.9772 107 G 3.8729 7.9021 108.6434 46.7161 0.0000 175.0549 108 L 4.4471 7.9229 118.5837 54.3286 42.4940 176.5757 109 A 4.8413 7.5191 119.9958 50.2142 23.0668 175.2420 110 K 4.7184 8.7165 119.5708 54.8643 34.5439 176.5578 111 V 4.3121 9.1435 123.9454 63.4520 32.1328 175.0314 112 A 4.2907 9.2549 127.5067 51.0859 23.2793 175.0026 113 Y 3.4743 7.5498 113.5531 58.9160 35.3794 172.6498 114 V 3.8535 7.3561 119.1456 62.3357 31.4430 173.9851 115 Y 4.7906 8.0852 125.2191 55.6508 39.9757 177.2703 116 K 3.9785 8.9801 125.0074 59.4458 32.5257 178.3109 117 G 3.8250 8.2604 106.7221 47.9935 0.0000 173.2149 118 N 5.1973 8.1840 116.1070 51.5909 39.0568 173.8245 119 N 5.2390 7.8013 113.1910 52.7174 38.9686 177.7646 120 T 3.8317 8.7256 117.8512 67.9792 68.7234 175.1292 121 H 4.7992 7.9395 116.6522 55.8002 29.0507 176.5156 122 E 3.9434 8.3033 122.8338 60.0158 29.1988 179.2427 123 Q 3.9669 8.0319 117.1663 58.6041 28.9184 178.0380 124 L 3.9193 7.9617 120.9930 58.4700 42.0226 179.0759 125 L 4.0766 7.9772 118.6528 57.7218 41.4794 179.6848 126 R 3.9287 8.3048 118.4311 58.8339 29.8517 178.9127 127 K 3.8310 8.3142 119.4861 59.5011 32.2534 178.5972 128 A 3.9787 7.8619 120.8033 55.2679 18.2462 179.2586 129 E 3.9155 8.6388 117.9579 59.3203 29.6699 178.8949 130 A 3.8796 8.1640 121.0208 54.9917 18.3503 179.7471 131 Q 3.8429 7.8975 116.2427 58.9544 28.8225 178.5312 132 A 4.0316 7.9908 121.7640 55.1226 18.4517 179.7670 133 K 3.4376 8.0103 117.2539 59.3458 31.8340 179.2964 134 K 3.8205 7.7292 118.4105 59.6400 32.2080 178.0117 135 E 4.1298 8.0845 115.6500 55.9871 29.9706 176.4835 136 K 4.0999 7.9048 118.0461 56.0466 30.4745 174.9036 137 L 4.6450 8.1404 118.2172 54.9036 44.8066 178.0848 138 N 3.5731 9.3515 120.1564 53.9923 37.8306 176.3787 139 I 3.1417 5.4200 126.4243 64.4008 37.8421 176.7025 140 W 4.8501 7.8417 118.6041 56.3551 29.2887 176.5800 141 S 4.7427 8.0769 119.3446 57.9691 62.5911 173.9589 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 6 K 8.31 4.01 0.00 1.92 2.01 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.52 7.81 7 L 7.63 3.33 0.00 1.87 2.22 1.05 0.92 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 8 H 8.90 4.99 0.00 3.21 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.31 4.64 0.00 1.57 1.69 0.00 1.51 0.00 0.00 1.85 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.07 1.07 7.81 10 E 8.30 4.76 0.00 2.13 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 2.48 2.49 0.00 11 P 0.00 4.79 0.00 1.98 1.98 0.00 3.72 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 2.03 2.11 0.00 12 A 8.95 4.74 1.11 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 13 T 8.37 4.44 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 1.21 0.00 0.00 14 L 8.45 4.49 0.00 1.61 1.55 0.95 1.09 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 15 I 8.90 4.24 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.71 0.93 0.00 0.00 16 K 7.53 4.57 0.00 1.78 1.85 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.42 7.81 17 A 8.72 4.37 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 I 8.07 4.35 1.96 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 1.47 0.70 0.89 0.00 0.00 19 D 7.56 4.69 0.00 2.91 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 20 G 9.27 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.57 5.10 0.00 2.79 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 22 T 8.03 5.24 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 1.21 0.00 0.00 23 V 8.80 4.77 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 0.94 0.00 0.00 24 K 9.36 5.00 0.00 1.82 1.71 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.62 7.81 25 L 9.02 5.15 0.00 1.60 1.53 -0.14 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.91 4.73 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 27 Y 9.22 4.48 0.00 3.33 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 28 K 8.86 3.99 0.00 1.57 1.88 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.09 1.15 7.81 29 G 8.38 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 0.00 0.00 0.00 0.00 30 Q 8.14 4.57 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.93 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 31 P 0.00 4.92 0.00 2.11 2.12 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 32 M 9.26 4.84 0.00 2.46 2.08 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.23 0.00 33 T 8.77 4.58 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 1.22 0.00 0.00 34 F 9.60 4.97 0.00 2.91 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 35 R 8.95 5.04 0.00 1.84 1.73 0.00 3.34 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 36 L 8.60 4.44 0.00 1.58 1.63 0.97 1.04 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 37 L 8.55 3.99 0.00 0.81 1.31 0.35 0.35 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 38 L 8.84 4.42 0.00 2.05 1.89 1.17 1.21 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 39 V 7.36 5.17 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 0.74 0.00 0.00 1.04 0.00 0.00 40 D 9.03 4.93 0.00 2.91 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 41 T 8.99 4.82 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 1.31 0.00 0.00 42 P 0.00 4.57 0.00 2.06 2.08 0.00 3.70 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 2.15 2.12 0.00 43 E 9.20 4.16 0.00 1.94 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 2.47 2.46 0.00 *50 F 8.61 4.73 0.00 3.19 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.14 4.37 0.00 2.29 1.42 0.00 0.00 5.92 7.66 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 52 E 7.77 4.49 0.00 2.07 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 2.14 2.08 0.00 53 K 8.12 3.88 0.00 1.50 1.45 0.00 1.63 0.00 0.00 0.93 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.40 1.05 7.81 54 Y 7.65 4.07 0.00 3.18 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 55 G 8.34 3.57 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 0.00 0.00 0.00 56 P 0.00 4.33 0.00 2.18 2.15 0.00 3.57 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 2.08 2.39 0.00 57 E 8.19 4.00 0.00 2.31 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 0.00 2.50 2.51 0.00 58 A 8.47 4.04 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 59 S 8.39 4.08 0.00 4.11 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 60 A 8.20 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 61 F 8.53 3.95 0.00 3.32 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.15 3.94 4.33 0.00 0.00 0.00 0.00 0.00 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 63 K 8.18 3.89 0.00 1.94 2.01 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.60 7.81 64 K 8.07 3.96 0.00 1.79 1.73 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.55 7.81 65 M 7.80 3.82 0.00 1.89 1.68 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 66 V 7.88 3.77 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 0.96 0.00 0.00 0.95 0.00 0.00 67 E 8.24 3.97 0.00 2.01 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 2.34 2.44 0.00 68 N 8.27 4.43 0.00 2.73 2.83 0.00 0.00 7.07 7.48 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 69 A 7.70 4.54 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.12 3.92 0.00 1.87 1.96 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.79 7.81 71 K 8.76 4.43 0.00 1.82 1.87 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.38 7.81 72 K 8.54 5.11 0.00 1.91 1.67 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.43 7.81 73 E 9.34 5.33 0.00 1.91 1.77 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 2.20 2.22 0.00 74 V 8.77 4.82 1.72 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 0.70 0.00 0.00 0.28 0.00 0.00 75 E 9.11 4.65 0.00 2.20 2.22 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 2.46 2.52 0.00 76 F 8.77 4.69 0.00 3.03 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 77 D 8.46 4.95 0.00 2.74 3.07 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 78 K 8.92 4.35 0.00 1.80 1.89 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.58 7.81 79 G 8.12 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 0.00 0.00 0.00 0.00 80 Q 8.62 4.02 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 81 R 8.43 4.54 0.00 1.59 1.43 0.00 2.72 0.00 0.00 2.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.57 0.00 82 T 7.34 4.92 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 1.06 0.00 0.00 83 D 8.59 5.11 0.00 2.79 2.78 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 84 K 8.12 3.82 0.00 1.53 1.66 0.00 1.02 0.00 0.00 1.33 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.59 0.21 7.81 85 Y 7.77 4.45 0.00 3.08 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 86 G 8.19 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 87 R 8.16 4.20 0.00 1.97 1.84 0.00 3.11 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 88 G 8.18 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 0.00 0.00 0.00 89 L 8.49 5.39 0.00 1.49 1.54 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.41 4.53 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.72 4.87 0.00 3.03 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 92 I 8.65 4.98 1.84 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.05 0.93 0.00 0.00 93 Y 9.37 5.24 0.00 2.77 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 94 A 9.17 4.88 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 95 D 10.34 4.44 0.00 2.80 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 96 G 8.56 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.90 4.54 0.00 1.84 1.77 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.53 7.81 98 M 8.41 4.09 0.00 1.88 1.51 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.50 0.00 99 V 8.53 3.63 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 1.13 0.00 0.00 0.97 0.00 0.00 100 N 8.18 4.29 0.00 2.92 2.98 0.00 0.00 6.72 7.66 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 0.00 101 E 8.08 3.92 0.00 1.97 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 2.37 2.36 0.00 102 A 8.14 4.10 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 3.51 0.00 1.85 1.65 1.01 0.73 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 0.00 104 V 7.43 3.86 2.22 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 1.33 0.00 0.00 1.06 0.00 0.00 105 R 8.16 4.09 0.00 1.84 2.09 0.00 3.35 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 106 Q 7.74 4.31 0.00 1.66 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.40 0.00 0.00 0.00 0.00 0.00 2.40 2.17 0.00 107 G 7.90 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 0.00 108 L 7.92 4.45 0.00 1.23 1.57 0.54 0.73 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 0.00 109 A 7.52 4.84 1.18 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 0.00 110 K 8.72 4.72 0.00 1.74 1.83 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.17 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.54 1.11 7.81 111 V 9.14 4.31 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 0.73 0.00 0.00 0.97 0.00 0.00 112 A 9.25 4.29 1.06 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 0.00 0.00 113 Y 7.55 3.47 0.00 3.20 3.21 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 0.00 114 V 7.36 3.85 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 0.90 0.00 0.00 0.90 0.00 0.00 115 Y 8.09 4.79 0.00 3.17 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 0.00 116 K 8.98 3.98 0.00 1.76 1.92 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.48 7.81 117 G 8.26 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 0.00 118 N 8.18 5.20 0.00 2.78 2.79 0.00 0.00 6.75 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 7.80 5.24 0.00 2.86 3.23 0.00 0.00 6.10 7.22 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 0.00 120 T 8.73 3.83 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 1.09 0.00 0.00 121 H 7.94 4.80 0.00 2.88 3.10 0.00 5.64 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.30 3.94 0.00 2.17 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 2.33 2.40 0.00 123 Q 8.03 3.97 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 124 L 7.96 3.92 0.00 1.74 1.86 0.90 0.55 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 0.00 125 L 7.98 4.08 0.00 1.96 1.74 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.30 3.93 0.00 1.83 1.94 0.00 3.27 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 127 K 8.31 3.83 0.00 1.87 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 128 A 7.86 3.98 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 0.00 129 E 8.64 3.92 0.00 2.14 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 2.05 2.54 0.00 130 A 8.16 3.88 1.26 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 0.00 0.00 0.00 131 Q 7.90 3.84 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 132 A 7.99 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.01 3.44 0.00 1.55 1.44 0.00 1.03 0.00 0.00 0.94 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 134 K 7.73 3.82 0.00 1.74 1.97 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.46 7.81 135 E 8.08 4.13 0.00 2.20 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 2.34 2.43 0.00 136 K 7.90 4.10 0.00 1.96 1.98 0.00 1.86 0.00 0.00 1.99 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.52 7.81 137 L 8.14 4.65 0.00 1.96 1.57 0.99 0.75 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 0.00 138 N 9.35 3.57 0.00 2.50 1.42 0.00 0.00 7.13 7.36 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 0.00 139 I 5.42 3.14 0.92 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 -0.35 0.00 0.00 140 W 7.84 4.85 0.00 3.42 3.10 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 0.00 0.00 0.00 141 S 8.08 4.74 0.00 4.00 3.95 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 * Residues marked with a * may have inaccurate shift predictions.