NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2908 8.3049 120.3481 54.8933 33.3334 174.5000 2 I 3.6326 8.0996 120.4967 61.0113 36.2754 174.6766 3 S 4.2916 9.0386 122.6894 60.1315 64.1582 174.8998 4 G 3.9407 7.0888 104.7857 46.0463 0.0000 171.1347 5 L 4.1954 8.5137 123.3068 54.4938 42.9997 177.6158 6 S 4.2779 8.7270 121.4938 60.1825 62.6601 172.9740 7 H 4.4889 6.6753 111.5139 55.2551 30.5090 172.7980 8 I 4.4281 7.7242 118.6692 59.6741 40.4072 174.8761 9 T 5.1013 8.4725 122.9734 61.7715 70.7335 173.4658 10 L 4.8213 9.1349 126.6354 52.9846 44.9772 175.3686 11 I 5.0280 8.4154 122.8978 60.0170 38.8821 175.5467 12 V 4.8207 9.1451 119.8729 59.4013 35.4959 177.0757 13 K 4.0851 9.0113 122.5773 58.3609 32.9168 176.9890 14 D 4.6666 7.7683 117.5904 51.4320 43.0249 175.2447 15 L 4.0959 8.5128 127.9815 57.8331 41.7949 179.1409 16 N 4.4821 8.2644 116.0918 55.9994 38.5494 177.4745 17 K 3.9451 8.4690 119.8562 59.9503 32.1739 179.2643 18 T 4.0881 7.7478 116.0573 67.3561 68.3693 176.6080 19 T 3.8938 7.9235 116.5909 66.6118 68.4807 176.2507 20 A 4.0626 7.9577 122.1178 55.2581 18.5572 179.0400 21 F 4.2110 8.8291 119.1386 61.9599 39.4220 177.8215 22 L 4.2694 8.6300 118.4751 57.5658 41.2541 179.6903 23 Q 4.1683 8.2265 118.1569 58.9689 28.7039 177.9713 24 N 4.2465 8.7069 116.8216 56.3834 38.6724 176.9982 25 I 3.7164 7.1297 118.9418 62.6128 37.5976 176.8101 26 F 4.6177 7.6093 114.1032 56.2965 39.8319 174.7695 27 N 4.3047 8.3002 116.9452 53.6250 36.3747 174.4321 28 A 4.3618 7.9940 118.4678 52.7046 19.7886 178.2173 29 E 4.5823 9.0631 121.5844 54.1042 31.8146 174.7426 30 E 3.9166 8.8041 129.3004 56.0284 29.9762 176.1566 31 I 4.6052 8.3354 118.5918 60.3753 39.3418 174.5135 32 Y 4.6705 7.4101 121.5496 57.1645 42.0226 172.6771 33 S 4.6031 7.4100 119.3577 56.7947 65.6646 172.9289 34 S 4.3854 8.6387 121.3363 55.8298 65.9111 173.0994 35 G 4.4873 8.1517 117.2589 46.8680 0.0000 172.1386 36 D 4.6043 7.9020 121.1830 54.2827 43.3995 176.8530 37 K 4.2929 8.9197 126.5754 55.8702 32.1001 175.9293 38 T 4.5006 7.7044 106.1513 62.7106 69.3260 174.9577 39 F 5.0171 7.7948 122.5724 57.2188 40.7723 174.8118 40 S 3.7120 8.0724 112.3657 59.6260 60.0220 171.9432 41 L 4.8557 8.0295 119.4256 52.5934 45.4490 178.4630 42 S 4.3260 8.7730 119.5208 58.6351 63.8377 174.0267 43 K 4.6074 8.2791 124.5246 56.1919 33.0721 175.9704 44 E 5.3454 9.6453 122.1223 55.2152 33.8297 174.3027 45 K 4.9711 9.2117 119.7202 55.2476 36.9994 175.1550 46 F 5.9414 9.0121 123.7144 56.7097 41.0446 175.0571 47 F 5.5991 10.1222 121.1364 55.7611 43.7806 173.6601 48 L 5.3921 8.9418 119.2313 53.2869 45.1437 176.2500 49 I 4.4288 8.6716 123.2596 59.2403 40.5900 175.4804 50 A 3.7585 9.6743 132.8286 53.2352 15.8434 177.9895 51 G 3.9829 8.4285 107.5048 46.1079 0.0000 173.4131 52 L 4.4059 7.9427 123.1849 53.3386 43.2283 175.0429 53 W 5.1078 8.9052 135.0000 57.5631 31.5361 174.2646 54 I 4.9338 9.1119 129.2124 59.6861 39.3686 174.4666 55 C 5.6739 9.2769 127.4061 57.5900 34.2829 172.4345 56 I 5.1917 8.9107 119.7688 59.5909 40.2404 174.2709 57 M 5.3874 8.9121 123.2591 53.6489 36.1891 173.6134 58 E 5.0574 8.6707 126.9442 56.2890 30.0691 176.1983 59 G 4.0523 8.0761 112.2951 45.9920 0.0000 171.8210 60 D 4.6655 8.8450 119.5196 54.4292 41.8606 176.9718 61 S 4.5621 8.4427 116.1757 57.0660 64.2991 174.0011 62 L 4.0788 7.9156 122.4388 55.1860 41.7417 178.2197 63 Q 4.1752 8.7066 122.2840 58.6051 29.0236 176.5521 64 E 4.7205 7.6476 114.6125 54.4866 33.6406 174.6063 65 R 4.4275 8.3055 118.4722 55.4897 30.8428 175.6169 66 T 4.7668 8.1687 109.5479 60.5062 71.8718 172.7253 67 Y 4.6998 8.5451 120.8195 57.7126 38.7153 174.8707 68 N 4.3336 7.6589 116.2580 53.6410 38.8816 173.8954 69 H 5.0306 7.7667 117.1083 53.9010 32.3950 172.2578 70 I 4.4154 7.7711 117.7154 59.2589 40.6784 174.7070 71 A 5.1779 7.9855 125.9102 50.2889 21.9881 175.2996 72 F 4.7797 9.2979 120.6331 55.7772 42.3077 174.4199 73 Q 5.1285 8.7403 122.7132 54.9504 30.1884 174.6436 74 I 4.8227 8.3427 118.7072 58.8715 41.6840 174.9319 75 Q 4.4037 8.7738 121.8018 55.7337 29.0606 177.9400 76 S 4.2941 8.5234 115.6179 60.6600 63.1425 175.7723 77 E 4.2768 8.0509 122.2225 58.6772 29.6985 177.3725 78 E 4.2898 8.0072 116.9148 57.1475 29.6440 178.7543 79 V 3.6383 7.3802 119.5840 66.4670 31.5321 177.6257 80 D 4.6407 8.1216 117.8166 57.1984 40.6482 178.5160 81 E 3.8946 8.0509 118.8661 59.6644 29.5036 178.6517 82 Y 3.8619 8.4555 116.8707 61.4998 37.7720 178.8665 83 T 3.7961 8.2863 115.7706 66.5621 68.7388 176.0345 84 E 3.9875 7.8439 121.2339 59.1276 29.7872 178.3089 85 R 3.7450 7.7531 118.7231 59.8885 29.7201 178.3575 86 I 3.5013 7.7702 119.2772 63.9651 36.8675 178.3230 87 K 3.8932 7.8655 120.2361 59.4482 31.8649 178.4047 88 A 3.9985 7.9369 118.9747 55.3585 18.4056 179.1237 89 L 4.1515 7.4632 113.7800 55.4217 41.6464 178.3901 90 G 3.8833 8.1059 107.2835 45.6398 0.0000 173.8043 91 V 3.9988 7.4268 120.3916 62.0923 31.6316 175.7895 92 E 4.2445 9.0751 127.3482 56.9555 30.5068 175.6603 93 M 5.2598 8.7252 123.1668 53.5736 34.6109 175.5633 94 K 4.6395 8.9913 122.4700 54.7232 33.3550 175.4445 95 P 4.4746 0.0000 0.0000 62.1559 31.9775 175.7427 96 E 3.8865 8.6061 117.8011 57.2737 29.7951 176.9259 97 R 4.4107 8.3753 122.8738 53.6819 31.6222 173.8965 98 P 4.1639 0.0000 0.0000 63.3779 31.7607 175.5448 99 R 4.9373 8.3500 119.9790 54.3693 33.9804 173.9567 100 V 4.4215 8.3256 120.5645 59.9826 34.4103 175.4776 101 Q 4.0485 8.6272 117.9069 58.2841 28.9335 170.9023 102 G 4.0022 9.7202 113.4937 43.3652 0.0000 177.5365 103 E 3.6255 8.4058 126.6674 55.0916 28.0982 176.9647 104 G 3.9656 8.3109 112.9943 44.8524 0.0000 171.3054 105 R 4.4946 8.3036 118.5120 55.9651 31.8132 176.3968 106 S 5.2762 8.5416 118.5903 56.9902 67.8856 173.5856 107 I 4.6432 8.5223 120.4712 60.3346 40.5637 174.2192 108 Y 5.1413 8.7710 125.4120 56.6284 40.3296 174.9886 109 F 5.2859 8.2467 115.7319 56.4035 41.6001 173.4311 110 Y 5.6250 8.7574 120.0663 56.9577 39.5671 174.2452 111 D 4.1353 8.3349 119.8725 51.9675 41.7326 176.4551 112 F 4.6547 7.7656 119.2715 58.5540 39.1311 175.5326 113 D 4.8912 8.8030 119.4956 52.6543 41.7765 175.7482 114 N 4.1414 8.3277 114.1296 54.8043 35.6936 173.3970 115 H 5.0073 8.5830 115.0800 54.3731 31.0015 174.0510 116 L 4.1203 8.4643 125.8015 54.2318 43.3235 175.2956 117 F 4.8223 8.6273 124.5417 55.6956 42.7252 174.0211 118 E 5.4418 8.7390 120.5226 54.0207 33.6556 173.7596 119 L 5.1567 8.6086 125.3611 53.3080 44.6559 174.5140 120 H 5.0399 9.4155 124.7468 54.0772 31.6176 173.9987 121 A 5.4054 7.9249 131.7474 48.5412 17.1010 175.6219 122 G 4.0973 7.0302 107.7250 44.0086 0.0000 170.6952 123 T 4.7248 7.6836 108.5041 59.2134 73.1271 174.2322 124 L 3.9822 8.3695 122.1925 58.2770 41.9585 178.5044 125 E 3.9400 8.2112 117.1248 59.3089 29.7726 178.6028 126 Q 4.2404 8.0148 117.6114 57.8438 28.8373 177.9396 127 R 4.1659 7.5052 119.0543 58.4410 30.3005 177.3746 128 L 4.3980 7.8768 116.4251 55.6586 42.0308 178.0339 129 K 4.1781 7.9475 122.7284 58.0916 31.7964 178.8765 130 R 3.8592 8.0296 124.1922 59.6274 30.0190 178.8626 *131 Y 4.2986 7.4833 118.9738 57.1113 36.9890 179.2904 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 M 8.30 4.29 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 I 8.10 3.63 1.85 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 1.39 0.75 0.91 0.00 0.00 3 S 9.04 4.29 0.00 3.86 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 4 G 7.09 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.51 4.20 0.00 1.55 1.57 0.81 0.76 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 6 S 8.73 4.28 0.00 3.86 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 7 H 6.68 4.49 0.00 2.35 2.29 0.00 5.52 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 8 I 7.72 4.43 1.80 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.52 0.78 0.00 0.00 9 T 8.47 5.10 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 1.22 0.00 0.00 10 L 9.13 4.82 0.00 1.61 1.58 1.09 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.42 5.03 1.93 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 1.38 0.85 1.09 0.00 0.00 12 V 9.15 4.82 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 0.93 0.00 0.00 1.07 0.00 0.00 13 K 9.01 4.09 0.00 1.91 1.96 0.00 1.56 0.00 0.00 1.50 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.35 7.81 14 D 7.77 4.67 0.00 2.66 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.51 4.10 0.00 1.79 1.82 1.00 0.82 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 16 N 8.26 4.48 0.00 2.90 2.88 0.00 0.00 7.18 6.90 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 17 K 8.47 3.95 0.00 1.72 1.50 0.00 1.41 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.50 7.81 18 T 7.75 4.09 4.34 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 1.27 0.00 0.00 19 T 7.92 3.89 4.61 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 1.58 0.00 0.00 20 A 7.96 4.06 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 21 F 8.83 4.21 0.00 3.40 3.35 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 22 L 8.63 4.27 0.00 1.57 1.51 0.33 1.01 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 23 Q 8.23 4.17 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.77 2.78 0.00 24 N 8.71 4.25 0.00 2.54 2.81 0.00 0.00 7.13 5.12 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 25 I 7.13 3.72 0.86 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.06 -0.15 0.00 0.00 26 F 7.61 4.62 0.00 2.92 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 27 N 8.30 4.30 0.00 2.91 2.93 0.00 0.00 6.86 6.86 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 28 A 7.99 4.36 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.06 4.58 0.00 2.13 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 2.21 2.25 0.00 30 E 8.80 3.92 0.00 1.48 1.66 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 2.05 1.78 0.00 31 I 8.34 4.61 1.87 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 1.37 0.95 1.03 0.00 0.00 32 Y 7.41 4.67 0.00 2.87 2.55 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 33 S 7.41 4.60 0.00 3.78 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.64 4.39 0.00 3.41 3.29 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 0.00 35 G 8.15 4.49 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 0.00 0.00 0.00 36 D 7.90 4.60 0.00 2.78 2.69 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 37 K 8.92 4.29 0.00 1.82 1.70 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 0.99 7.81 38 T 7.70 4.50 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 1.23 0.00 0.00 39 F 7.79 5.02 0.00 2.90 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 40 S 8.07 3.71 0.00 3.89 3.77 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 0.00 0.00 0.00 41 L 8.03 4.86 0.00 1.76 1.56 1.10 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.77 4.33 0.00 3.79 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 43 K 8.28 4.61 0.00 1.92 1.76 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.59 7.81 44 E 9.65 5.35 0.00 2.31 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 0.00 2.40 2.36 0.00 45 K 9.21 4.97 0.00 2.11 1.74 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.50 7.81 46 F 9.01 5.94 0.00 3.13 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 47 F 10.12 5.60 0.00 3.01 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 48 L 8.94 5.39 0.00 1.67 1.61 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.67 4.43 1.85 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.82 0.32 0.00 0.00 50 A 9.67 3.76 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 51 G 8.43 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 52 L 7.94 4.41 0.00 1.86 1.94 0.98 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 53 W 8.91 5.11 0.00 3.39 3.22 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 54 I 9.11 4.93 2.05 0.00 0.00 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 1.48 0.85 1.03 0.00 0.00 55 C 9.28 5.67 0.00 2.60 2.50 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 56 I 8.91 5.19 2.01 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.90 0.97 0.00 0.00 57 M 8.91 5.39 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.54 0.00 58 E 8.67 5.06 0.00 2.06 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 2.35 2.14 0.00 59 G 8.08 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 0.00 0.00 0.00 60 D 8.85 4.67 0.00 2.58 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 61 S 8.44 4.56 0.00 3.88 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 62 L 7.92 4.08 0.00 1.80 1.77 1.06 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.71 4.18 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 64 E 7.65 4.72 0.00 1.89 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 2.23 0.00 65 R 8.31 4.43 0.00 1.83 1.70 0.00 2.60 0.00 0.00 2.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 0.00 66 T 8.17 4.77 4.31 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 1.25 0.00 0.00 67 Y 8.55 4.70 0.00 2.87 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 68 N 7.66 4.33 0.00 2.75 2.63 0.00 0.00 6.66 8.04 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 69 H 7.77 5.03 0.00 2.95 2.99 0.00 5.08 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.77 4.42 1.32 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.53 0.41 0.00 0.00 71 A 7.99 5.18 1.01 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 72 F 9.30 4.78 0.00 3.21 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 73 Q 8.74 5.13 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 74 I 8.34 4.82 1.90 0.00 0.00 0.45 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 0.50 0.49 0.00 0.00 75 Q 8.77 4.40 0.00 2.18 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.87 0.00 0.00 0.00 0.00 0.00 2.73 2.47 0.00 76 S 8.52 4.29 0.00 4.02 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 77 E 8.05 4.28 0.00 2.10 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 2.38 2.46 0.00 78 E 8.01 4.29 0.00 2.30 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 2.52 2.38 0.00 79 V 7.38 3.64 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 0.94 0.00 0.00 1.03 0.00 0.00 80 D 8.12 4.64 0.00 2.73 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 81 E 8.05 3.89 0.00 2.07 1.78 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 2.34 2.38 0.00 82 Y 8.46 3.86 0.00 3.08 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 83 T 8.29 3.80 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 84 E 7.84 3.99 0.00 2.19 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 2.26 2.31 0.00 85 R 7.75 3.75 0.00 1.72 1.84 0.00 2.97 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 86 I 7.77 3.50 1.63 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.45 0.62 0.00 0.00 87 K 7.87 3.89 0.00 1.96 1.96 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.46 7.81 88 A 7.94 4.00 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 89 L 7.46 4.15 0.00 1.75 1.79 0.79 1.27 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 90 G 8.11 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 91 V 7.43 4.00 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 1.04 0.00 0.00 1.11 0.00 0.00 92 E 9.08 4.24 0.00 2.19 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 0.00 2.49 2.56 0.00 93 M 8.73 5.26 0.00 2.04 2.09 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 2.73 2.57 0.00 94 K 8.99 4.64 0.00 1.74 1.79 0.00 1.93 0.00 0.00 2.19 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.66 7.81 95 P 0.00 4.47 0.00 2.19 2.09 0.00 3.86 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 2.00 2.01 0.00 96 E 8.61 3.89 0.00 1.98 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 2.37 2.46 0.00 97 R 8.38 4.41 0.00 1.57 1.81 0.00 2.77 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.37 0.00 98 P 0.00 4.16 0.00 2.03 2.00 0.00 3.57 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.12 0.00 99 R 8.35 4.94 0.00 1.77 1.82 0.00 3.35 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 100 V 8.33 4.42 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 0.78 0.00 0.00 0.94 0.00 0.00 101 Q 8.63 4.05 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.28 1.94 0.00 102 G 9.72 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 0.00 0.00 0.00 103 E 8.41 3.63 0.00 2.22 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 0.00 2.29 2.39 0.00 104 G 8.31 3.97 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 0.00 0.00 0.00 105 R 8.30 4.49 0.00 1.92 1.82 0.00 3.16 0.00 0.00 3.37 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 106 S 8.54 5.28 0.00 3.89 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.52 4.64 2.00 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 1.28 0.71 0.98 0.00 0.00 108 Y 8.77 5.14 0.00 2.98 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 0.00 109 F 8.25 5.29 0.00 3.35 3.15 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 0.00 0.00 0.00 110 Y 8.76 5.62 0.00 2.90 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 0.00 111 D 8.33 4.14 0.00 1.64 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 0.00 0.00 0.00 112 F 7.77 4.65 0.00 3.02 3.08 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 0.00 113 D 8.80 4.89 0.00 2.61 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 0.00 114 N 8.33 4.14 0.00 2.87 2.94 0.00 0.00 7.02 8.16 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 0.00 115 H 8.58 5.01 0.00 3.76 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.46 4.12 0.00 1.47 1.59 0.52 0.93 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 0.00 117 F 8.63 4.82 0.00 2.46 2.69 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 0.00 118 E 8.74 5.44 0.00 1.19 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.47 0.00 119 L 8.61 5.16 0.00 1.64 1.38 0.52 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 120 H 9.42 5.04 0.00 3.31 3.13 0.00 5.76 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 0.00 121 A 7.92 5.41 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 0.00 122 G 7.03 4.10 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 0.00 0.00 0.00 123 T 7.68 4.72 4.46 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 0.00 0.00 0.00 1.21 0.00 0.00 124 L 8.37 3.98 0.00 1.78 1.70 0.91 0.87 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 0.00 125 E 8.21 3.94 0.00 1.96 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 2.32 2.47 0.00 126 Q 8.01 4.24 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 127 R 7.51 4.17 0.00 1.90 2.09 0.00 3.32 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 128 L 7.88 4.40 0.00 1.65 1.69 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 129 K 7.95 4.18 0.00 2.16 1.84 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.49 7.81 130 R 8.03 3.86 0.00 1.86 1.88 0.00 3.30 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.00 *131 Y 7.48 4.30 0.00 2.26 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.