NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4552 8.3344 115.4133 57.4414 64.9627 172.9622 3 L 4.5580 7.6912 122.5618 53.0188 44.7631 173.7595 4 L 4.7613 8.2063 125.2579 52.6887 46.1311 175.4861 5 I 4.1001 8.4660 117.3922 60.7433 38.3062 175.3048 6 T 4.7036 8.5146 115.2866 61.8927 71.4501 174.1361 7 S 5.2061 7.9698 115.0124 57.0219 66.1642 173.5512 8 I 4.6223 8.8750 123.6641 59.9094 39.6698 174.6156 9 T 4.9329 8.5665 122.8296 61.6770 71.8016 173.2992 10 I 4.4298 8.4105 126.5607 59.4627 40.2224 174.4057 11 N 5.0860 8.7952 125.3999 52.8838 39.2381 174.5738 12 T 4.7516 9.5173 119.4297 60.1477 70.9441 174.2297 13 S 4.9592 8.5849 119.6569 57.7892 64.2373 173.9384 14 H 4.9845 8.1176 117.5550 54.3103 29.1446 174.3328 15 L 3.8646 8.0017 124.7337 58.6636 42.3219 177.8867 16 Q 4.0252 8.0639 117.2903 58.9377 28.6455 178.9106 17 G 3.6357 8.0158 106.2933 48.0640 0.0000 175.6038 18 M 4.2433 8.3490 121.1788 57.9677 31.9558 178.8712 19 L 3.7876 8.2593 119.7057 57.6076 41.6692 179.6580 20 G 3.6930 8.1952 105.6322 47.7713 0.0000 175.3611 21 F 3.9447 8.4986 123.5068 61.2798 39.4909 176.6579 22 Y 4.5317 8.5624 115.3182 59.9847 37.6828 178.2164 23 R 4.6367 8.2988 121.3622 58.9717 30.0119 178.8661 24 I 3.6621 7.2942 118.5255 64.4068 37.0949 178.2355 25 I 3.7148 7.3284 119.6542 63.3914 36.9904 175.9855 26 G 3.3360 6.7038 112.2776 44.9539 0.0000 173.1533 27 F 4.0487 8.2083 121.8470 57.1146 39.4889 174.6503 28 Q 4.7043 8.3174 124.2721 54.4089 29.2775 174.6431 29 F 4.8459 8.7975 122.9472 57.0210 40.4462 175.3487 30 T 4.7410 8.9859 120.2878 61.6571 70.6314 174.1943 31 A 4.4210 8.5757 127.8365 51.4327 19.4890 177.3999 32 S 4.2744 7.8705 115.4394 58.3365 63.7063 175.4865 33 K 4.0841 8.6801 123.3246 58.8585 32.1900 177.7406 34 V 4.2674 7.3361 115.9736 60.8974 33.8283 174.6211 *38 S 4.2356 8.2205 120.5634 57.9796 64.0937 173.0201 39 E 4.2330 8.4211 123.3912 56.1676 30.1182 175.7360 40 V 4.5995 8.1745 125.9061 60.0774 34.8887 173.9559 41 H 5.2488 8.8263 120.9957 53.9570 32.2434 172.7447 42 R 5.2283 9.2193 121.4372 54.3436 33.4520 174.4198 43 A 5.2743 9.2780 125.6224 49.9209 22.3636 175.2545 44 V 4.9002 8.3610 119.5232 60.1983 34.2177 174.7530 45 H 4.6700 9.4173 124.8899 55.4829 32.4622 172.7230 46 N 3.9003 9.8189 124.8577 54.3293 35.9503 175.4193 47 G 3.9494 8.5860 105.4998 45.0404 0.0000 173.8286 48 V 4.4983 7.6341 120.5629 61.1442 33.9191 174.0062 49 E 4.9166 9.3694 129.7379 55.1441 31.1157 174.4369 50 F 5.2983 9.7717 131.4466 57.1442 40.7202 174.3840 51 S 5.2924 8.6400 122.9077 56.6198 66.1628 173.3289 52 L 4.9679 8.6797 123.2752 53.1897 44.3109 174.9592 53 Y 4.9150 8.8435 121.8163 56.1158 40.7554 174.8862 54 S 4.9183 8.7212 119.4708 57.7966 63.1158 173.1267 55 I 4.7533 8.8455 120.2480 58.9483 41.2451 174.9215 56 Q 4.3423 8.4861 121.0182 54.7352 29.4721 175.8283 57 N 4.2339 8.6154 117.2237 53.4777 38.8158 174.3963 58 P 4.3933 0.0000 0.0000 63.1912 31.5818 178.6726 59 Q 3.7549 7.7856 114.2066 56.4169 27.8958 174.0437 60 R 4.4459 7.6961 115.4497 54.0000 31.2802 173.8075 61 S 4.2756 8.4399 118.2350 58.0202 63.5554 173.8534 62 Q 4.6251 8.3264 126.3196 53.6631 30.9995 174.7895 63 I 3.8762 8.1102 117.4770 59.9938 38.1283 174.3585 64 P 4.4785 0.0000 0.0000 62.4734 31.7914 176.6811 65 S 4.3802 8.4611 115.6105 59.7226 63.4118 174.1962 66 L 4.5148 7.7539 122.8902 54.2322 42.7427 175.6766 67 Q 4.9345 8.6876 123.9924 54.1359 32.1625 174.6111 68 L 4.7600 8.4638 121.4207 52.8523 45.7696 175.6576 69 G 4.3538 7.9264 106.8168 44.5677 0.0000 171.9703 70 F 5.1995 9.3232 122.4698 55.6725 43.4150 173.7672 71 Q 5.1525 8.8931 121.3486 54.5216 30.0575 174.8925 72 I 4.8313 9.0230 117.3994 59.3594 41.7258 174.4048 73 T 4.3729 8.3807 111.9978 60.9688 71.2874 173.8710 74 D 4.3111 8.8043 120.8031 55.2150 38.7878 174.4253 75 L 3.9116 8.1641 123.5306 58.5876 42.7221 178.0675 76 E 3.9784 8.0785 117.7399 59.3492 29.3242 179.4065 77 K 4.0130 7.9355 118.1202 59.5201 32.1922 179.4578 78 T 3.9102 8.1653 116.4219 66.6820 68.4500 176.8618 79 V 3.5439 7.8360 120.1018 66.0346 31.2615 177.8763 80 Q 3.9979 7.7262 116.6827 59.2545 28.7616 178.6406 81 E 4.1116 7.9693 119.3507 59.1136 29.5442 179.3485 82 L 3.8113 7.7892 119.2153 57.5320 41.7828 178.8892 83 V 3.9044 7.4817 115.5506 64.0886 31.5180 176.4021 84 K 4.2776 7.5797 117.2389 57.5382 32.6830 176.5436 85 I 4.2660 7.4873 121.8932 59.0174 38.1062 173.6148 86 P 4.4293 0.0000 0.0000 64.3411 31.5510 176.2138 87 G 3.9219 9.0960 111.1877 45.1431 0.0000 173.4222 88 A 4.7312 7.6369 121.5199 51.1689 19.6357 176.4041 89 M 4.9107 8.1283 117.7842 53.9412 35.0238 173.2350 90 C 4.6868 8.7357 122.0633 59.2296 31.8987 172.6832 91 I 4.2364 8.6163 120.0853 61.6637 39.2860 175.6580 92 L 4.7011 7.6241 125.2450 52.6243 44.0962 175.7544 93 D 4.8469 8.8273 126.2215 53.5093 41.8506 174.5040 94 P 4.4681 0.0000 0.0000 64.0284 31.9004 175.8780 95 T 4.7204 8.9247 120.2287 61.7154 73.2409 173.0188 96 D 4.8056 8.7889 125.8627 54.6264 41.3049 175.6675 97 M 4.9043 8.4579 121.9599 52.8068 36.2413 174.9978 98 P 4.4407 0.0000 0.0000 62.3422 29.2872 176.1732 *100 G 3.7112 7.7471 108.6316 44.7775 0.0000 168.2422 101 K 4.5857 7.9954 126.5789 56.4730 33.7960 175.0754 102 K 5.2552 9.3106 127.6670 54.8415 36.1739 174.5813 103 A 5.1213 9.1011 126.1431 50.4905 23.4591 174.9081 104 I 5.1431 8.7113 120.8697 59.4674 40.3202 175.2722 105 V 4.8908 8.9779 126.2940 59.7593 35.1064 174.0997 106 L 5.1487 8.9147 125.2252 53.7324 43.8900 175.9380 107 D 3.7725 8.4817 125.6464 51.1319 40.5976 175.4724 108 P 4.3282 0.0000 0.0000 65.6018 31.2763 177.3439 109 D 4.4419 8.0546 115.6083 54.9105 41.2113 177.2017 110 G 3.8754 8.5212 107.6851 45.4497 0.0000 173.1053 111 H 4.5406 8.6777 117.4864 55.4333 29.9957 174.8789 112 S 4.8225 8.7543 118.7161 58.0332 64.1910 172.9962 113 I 4.8754 9.0750 127.2734 59.6750 39.1008 174.5287 114 E 4.8890 9.3169 129.3807 55.0988 31.4176 174.7353 115 L 5.4304 9.2722 126.2088 53.2638 45.4005 175.3405 116 C 5.3908 9.2855 120.2950 57.8768 32.5305 172.4701 117 E 5.2299 8.6623 121.9526 53.4792 31.8330 175.9052 118 L 4.3405 8.3070 125.0856 55.1100 42.8738 176.1212 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 2 S 8.33 4.46 0.00 4.00 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 3 L 7.69 4.56 0.00 1.64 1.52 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.21 4.76 0.00 1.62 1.51 0.93 0.90 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 5 I 8.47 4.10 1.90 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 1.49 0.57 0.92 0.00 0.00 6 T 8.51 4.70 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 1.23 0.00 0.00 7 S 7.97 5.21 0.00 3.96 3.86 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 8 I 8.88 4.62 2.28 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.10 1.06 0.00 0.00 9 T 8.57 4.93 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 10 I 8.41 4.43 1.70 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.66 0.95 0.00 0.00 11 N 8.80 5.09 0.00 2.57 2.75 0.00 0.00 6.86 7.54 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 12 T 9.52 4.75 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 1.22 0.00 0.00 13 S 8.58 4.96 0.00 3.89 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 14 H 8.12 4.98 0.00 3.21 3.23 0.00 5.83 0.00 0.00 0.00 0.00 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.00 3.86 0.00 1.66 1.62 0.84 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.06 4.03 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 17 G 8.02 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 18 M 8.35 4.24 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.85 0.00 19 L 8.26 3.79 0.00 1.80 1.59 0.51 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.20 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 21 F 8.50 3.94 0.00 3.22 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 22 Y 8.56 4.53 0.00 3.71 3.49 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 23 R 8.30 4.64 0.00 2.23 2.08 0.00 3.25 0.00 0.00 3.37 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 24 I 7.29 3.66 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.53 0.74 0.00 0.00 25 I 7.33 3.71 1.97 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 1.17 0.13 0.25 0.00 0.00 26 G 6.70 3.34 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 0.00 27 F 8.21 4.05 0.00 3.14 2.27 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 28 Q 8.32 4.70 0.00 1.90 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 29 F 8.80 4.85 0.00 3.04 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 30 T 8.99 4.74 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 1.24 0.00 0.00 31 A 8.58 4.42 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 32 S 7.87 4.27 0.00 3.80 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 33 K 8.68 4.08 0.00 1.73 1.85 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.41 7.81 34 V 7.34 4.27 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 0.83 0.00 0.00 0.92 0.00 0.00 *38 S 8.22 4.24 0.00 4.08 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 39 E 8.42 4.23 0.00 2.03 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 0.00 2.36 2.27 0.00 40 V 8.17 4.60 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 0.59 0.00 0.00 0.21 0.00 0.00 41 H 8.83 5.25 0.00 2.82 3.19 0.00 5.55 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 9.22 5.23 0.00 1.76 1.83 0.00 3.07 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 43 A 9.28 5.27 0.70 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 0.00 0.00 44 V 8.36 4.90 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 0.78 0.00 0.00 0.97 0.00 0.00 45 H 9.42 4.67 0.00 3.12 3.27 0.00 5.93 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 9.82 3.90 0.00 2.84 2.83 0.00 0.00 7.30 7.65 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 47 G 8.59 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 0.00 0.00 0.00 48 V 7.63 4.50 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 1.06 0.00 0.00 1.06 0.00 0.00 49 E 9.37 4.92 0.00 2.09 1.95 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 2.31 2.31 0.00 50 F 9.77 5.30 0.00 2.91 2.61 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 51 S 8.64 5.29 0.00 3.85 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 52 L 8.68 4.97 0.00 1.25 1.32 0.35 0.37 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 53 Y 8.84 4.92 0.00 2.85 2.82 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 54 S 8.72 4.92 0.00 3.86 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 55 I 8.85 4.75 1.87 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 1.39 0.80 0.93 0.00 0.00 56 Q 8.49 4.34 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 57 N 8.62 4.23 0.00 2.80 2.76 0.00 0.00 6.87 8.03 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 58 P 0.00 4.39 0.00 2.16 2.07 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 59 Q 7.79 3.75 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 60 R 7.70 4.45 0.00 1.75 1.82 0.00 3.16 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 61 S 8.44 4.28 0.00 3.86 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 62 Q 8.33 4.63 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 63 I 8.11 3.88 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 1.41 0.70 0.90 0.00 0.00 64 P 0.00 4.48 0.00 2.07 2.02 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.00 0.00 65 S 8.46 4.38 0.00 3.87 3.92 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 66 L 7.75 4.51 0.00 1.67 1.64 0.92 0.60 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 67 Q 8.69 4.93 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.56 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 68 L 8.46 4.76 0.00 1.61 1.05 1.09 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.93 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 0.00 0.00 0.00 0.00 70 F 9.32 5.20 0.00 2.97 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 71 Q 8.89 5.15 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 72 I 9.02 4.83 1.82 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 1.31 1.33 0.88 0.00 0.00 73 T 8.38 4.37 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 1.19 0.00 0.00 74 D 8.80 4.31 0.00 2.88 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 75 L 8.16 3.91 0.00 1.88 1.67 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.08 3.98 0.00 2.04 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 2.39 2.39 0.00 77 K 7.94 4.01 0.00 1.85 1.82 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.45 7.81 78 T 8.17 3.91 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 1.07 0.00 0.00 79 V 7.84 3.54 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 1.03 0.00 0.00 0.93 0.00 0.00 80 Q 7.73 4.00 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 81 E 7.97 4.11 0.00 2.02 1.93 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 2.29 2.44 0.00 82 L 7.79 3.81 0.00 1.72 1.48 0.54 -0.48 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 83 V 7.48 3.90 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 0.77 0.00 0.00 1.04 0.00 0.00 84 K 7.58 4.28 0.00 1.96 1.83 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.53 7.81 85 I 7.49 4.27 2.15 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 1.39 1.50 1.05 0.00 0.00 86 P 0.00 4.43 0.00 2.04 2.01 0.00 3.68 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 2.04 2.10 0.00 87 G 9.10 3.92 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 0.00 0.00 0.00 88 A 7.64 4.73 1.57 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 89 M 8.13 4.91 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 90 C 8.74 4.69 0.00 3.03 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 91 I 8.62 4.24 1.89 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 1.35 0.81 0.93 0.00 0.00 92 L 7.62 4.70 0.00 1.78 1.65 0.93 1.29 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 93 D 8.83 4.85 0.00 2.61 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 94 P 0.00 4.47 0.00 1.93 2.04 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 95 T 8.92 4.72 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 96 D 8.79 4.81 0.00 2.56 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 97 M 8.46 4.90 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.48 0.00 98 P 0.00 4.44 0.00 2.04 2.02 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 *100 G 7.75 3.71 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 0.00 0.00 0.00 101 K 8.00 4.59 0.00 1.86 1.69 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.44 7.81 102 K 9.31 5.26 0.00 1.81 1.58 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.49 7.81 103 A 9.10 5.12 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 0.00 104 I 8.71 5.14 1.91 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 1.32 1.05 1.02 0.00 0.00 105 V 8.98 4.89 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 1.03 0.00 0.00 1.07 0.00 0.00 106 L 8.91 5.15 0.00 1.97 1.56 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.48 3.77 0.00 1.73 1.54 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 0.00 108 P 0.00 4.33 0.00 1.98 2.06 0.00 3.25 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.24 0.00 109 D 8.05 4.44 0.00 2.78 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 0.00 110 G 8.52 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 0.00 111 H 8.68 4.54 0.00 3.44 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.75 4.82 0.00 3.82 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 0.00 113 I 9.08 4.88 2.27 0.00 0.00 1.17 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 1.40 1.39 0.00 0.00 114 E 9.32 4.89 0.00 2.04 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 2.29 2.31 0.00 115 L 9.27 5.43 0.00 1.59 1.55 0.92 0.94 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 0.00 116 C 9.29 5.39 0.00 2.84 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 0.00 117 E 8.66 5.23 0.00 1.95 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 2.19 2.27 0.00 118 L 8.31 4.34 0.00 1.61 1.47 0.96 0.86 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 * Residues marked with a * may have inaccurate shift predictions.