NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4485 8.1844 120.6422 54.9994 43.1326 175.2968 8 H 4.8081 8.4727 119.0185 54.1156 32.6154 171.2682 9 K 4.6094 9.2979 126.0550 56.1483 33.7818 175.5929 10 E 4.8704 8.9541 121.5856 54.0446 34.0783 173.5225 11 P 4.9975 0.0000 0.0000 62.9069 32.3422 175.2286 12 A 4.9149 8.4551 122.8292 51.2385 23.1127 175.5712 13 T 4.6058 8.5362 115.1776 61.3470 71.9726 173.8348 14 L 4.2733 8.7074 128.6997 55.7299 42.3242 175.5888 15 I 4.3728 8.4143 126.2531 62.3305 39.0889 176.4286 16 K 4.2226 7.6638 118.5810 55.3069 34.8934 174.1351 17 A 4.3191 8.6328 129.9302 51.8573 19.1635 176.5272 18 I 4.1399 8.3610 125.0121 62.9480 36.8876 175.7598 19 D 5.0570 7.4328 118.1073 51.8616 41.5741 175.5265 20 G 4.0233 8.9738 106.5992 48.2274 0.0000 173.8347 21 D 4.9359 8.0784 115.1381 52.7460 40.6644 175.0161 22 T 5.6295 7.8282 114.9523 60.8408 72.6948 172.7696 *24 K 4.6666 8.2949 121.6282 56.6098 33.8200 174.9890 25 L 5.2823 9.4584 123.6793 53.2062 46.8426 175.0502 26 M 4.9457 9.1093 121.9334 54.6947 33.6940 174.2634 27 Y 4.9888 8.9955 127.6442 56.2877 42.5123 175.3348 28 K 3.6552 9.3305 124.9652 57.2929 29.7525 176.5348 29 G 4.0170 8.5611 107.7342 44.9080 0.0000 173.9762 30 Q 4.8825 8.0215 118.9037 53.4544 31.2171 173.4387 31 P 5.1361 0.0000 0.0000 63.2531 32.4257 175.2278 32 M 4.7401 9.3026 118.9643 54.6782 35.1015 173.3913 33 T 4.6774 8.4102 115.1995 61.6458 69.4094 173.2967 34 F 5.1968 8.8711 125.7109 55.6319 42.6066 174.0454 35 R 5.0973 8.8886 121.4611 54.2847 33.1964 174.4969 36 L 4.5139 8.6386 126.9225 54.7232 41.8616 177.1918 37 L 4.0257 8.7216 124.1655 55.4818 42.8736 177.8551 38 L 4.3105 8.8215 119.5368 55.0676 39.3976 173.9334 39 V 5.1564 7.3230 110.5227 59.9932 36.5806 174.7921 40 D 4.8593 8.7809 121.3131 53.5195 43.7781 174.4522 41 T 4.7647 8.6654 116.9465 59.9187 70.3846 173.3359 42 P 4.4858 0.0000 0.0000 62.3539 32.3053 176.2371 43 E 4.1944 9.3297 122.9347 56.6754 30.0449 177.4282 44 T 4.6587 8.2928 111.2710 60.8524 70.0407 173.4801 45 K 4.2681 7.9693 119.0908 57.7945 34.8888 175.3643 46 H 3.9710 8.2821 119.7336 56.0810 30.0140 174.3778 47 P 4.2661 0.0000 0.0000 65.4275 31.4575 177.6487 48 K 4.0316 8.5034 118.2972 58.7580 32.0998 177.2146 49 K 4.2567 8.0588 115.7960 55.2769 33.7207 177.6871 50 G 3.7435 7.9343 107.4784 45.0168 0.0000 173.3747 51 V 4.1924 8.1004 120.6930 61.8018 31.3042 177.0480 52 E 4.3301 8.8483 127.8048 55.3264 31.0986 176.6322 53 K 3.9908 8.3362 121.3057 58.3794 32.3805 177.2743 54 Y 4.3277 8.1470 120.8629 59.3384 36.2686 171.2133 55 G 3.6922 8.0729 107.4034 47.6029 0.0000 174.1345 56 P 4.3180 0.0000 0.0000 64.9702 31.4987 178.5959 57 E 4.0107 8.2107 116.8162 59.3745 29.4114 179.0379 58 A 4.0622 8.4777 121.1411 55.2761 18.5210 179.6999 59 S 4.1525 8.1527 113.4249 61.9186 62.8815 176.9526 60 A 4.0328 8.1916 123.2755 54.9483 18.1111 179.4710 61 F 3.9816 8.4786 119.1812 61.8085 39.0163 177.4491 62 T 3.8931 8.3539 115.6161 66.4631 68.0322 176.4246 63 K 3.9089 8.0964 120.5168 59.4945 32.5408 178.6718 64 K 3.9991 8.2161 118.7842 59.6337 31.8027 178.6890 65 M 3.6785 7.3317 117.1924 58.9112 32.4023 178.2494 66 V 3.9824 7.7000 110.7214 62.5839 31.9183 178.1075 67 E 4.1144 8.0153 117.7550 58.4261 29.5016 177.3211 68 N 4.7619 7.9402 113.3505 52.6055 39.1161 174.4457 69 A 4.4310 7.3104 121.0538 51.8116 19.1838 178.6365 70 K 4.2059 9.0980 122.7969 58.5845 32.6610 178.0132 71 K 4.7276 8.7937 117.3260 55.1478 36.3403 175.5021 72 I 5.0878 8.4022 123.0304 59.6629 40.4386 174.2618 73 E 5.1626 9.0889 124.5900 54.6982 33.9251 174.9577 74 V 4.7017 8.9740 116.2043 59.5013 35.0508 174.6189 75 E 5.0178 8.9288 124.6078 54.4963 32.2737 174.9070 76 F 4.7370 8.9205 125.8116 57.4602 40.2482 175.6915 77 D 4.9112 8.5099 120.9576 53.2079 43.0666 175.8356 78 K 4.3367 8.7072 117.5215 57.8950 33.6962 177.8286 79 G 4.2195 8.3566 111.7829 44.5685 0.0000 173.4805 80 Q 4.0703 8.6241 120.6433 56.7996 29.1900 176.9441 81 R 4.4576 8.3823 117.5397 56.6475 31.0918 176.0889 82 T 4.9905 7.4186 106.8252 59.6955 71.9759 172.9674 83 D 4.7785 8.3953 122.9603 51.3567 41.5839 177.2654 84 K 3.6979 8.3346 117.3574 59.9233 32.2451 177.1458 85 Y 4.2272 7.9144 114.8865 57.7726 38.0246 176.0015 86 G 3.8835 8.2857 108.3605 45.6982 0.0000 173.6636 87 R 4.3569 8.4222 119.6720 54.7478 31.7127 176.3953 88 G 3.2401 8.1152 111.3077 46.1247 0.0000 172.3336 89 L 5.2252 8.8832 125.1895 53.2627 42.9331 175.6436 90 A 4.5469 8.4252 124.2473 50.9573 23.7219 173.8300 91 Y 4.8366 8.8093 117.3264 56.8441 39.9284 175.2688 92 I 4.8286 8.5725 125.1239 59.6687 40.2530 174.1167 93 Y 5.1190 9.1882 124.5008 56.1391 40.9273 174.7323 94 A 4.7819 9.0456 125.7117 49.9658 21.1725 176.2320 95 D 4.4842 9.7170 125.2605 56.3461 38.7914 175.5445 96 G 3.8918 8.2554 103.4957 45.5882 0.0000 172.9333 97 K 4.4944 7.8597 120.3508 54.3256 33.6837 175.3066 98 M 3.9287 8.6032 124.0252 55.2275 32.9975 176.6285 99 V 3.6093 8.6824 127.6275 66.1120 31.2619 177.4244 100 N 4.2974 8.1171 115.7639 56.6223 38.3427 176.8122 101 E 3.9449 8.1135 119.6891 59.1120 29.6836 178.3733 102 A 4.0507 8.1435 120.9264 55.1153 18.3423 179.7127 103 L 3.7239 7.9474 117.3890 57.8022 41.6862 179.8102 104 V 3.7231 7.4082 117.3482 66.1325 31.2902 178.0287 105 R 3.8695 8.0524 117.3292 59.1107 29.9380 177.5065 106 Q 4.2353 7.4334 115.3477 54.9173 29.2131 175.7595 107 G 3.7946 8.1842 108.8926 46.9680 0.0000 174.7435 108 L 4.5313 7.7883 117.1616 53.9676 42.6701 176.4444 109 A 4.7480 7.5069 118.9512 50.7622 22.3183 175.8017 110 K 4.8376 8.3584 118.2739 54.2832 35.8521 175.8796 111 V 4.3125 9.1807 123.5243 63.0174 32.0508 175.1091 112 A 4.3112 8.9106 128.3913 50.3644 23.3241 174.7010 113 Y 3.2038 7.3512 113.5892 59.0220 35.0594 173.6102 114 V 3.7093 7.0922 118.5177 62.0765 30.9405 173.4884 115 Y 4.9056 7.8836 124.3416 55.4477 39.2881 176.0025 116 K 4.2749 8.8286 125.0684 56.4703 32.6604 174.8936 117 P 4.7983 0.0000 0.0000 63.0161 32.0737 176.5140 118 N 4.9662 8.1678 117.2641 52.9541 37.3941 175.0274 119 N 5.2278 7.5990 110.4264 52.7893 38.9311 177.3508 120 T 3.8587 8.6483 117.9927 67.9576 68.7474 175.1412 121 H 4.8813 8.0439 116.6038 55.8124 29.1854 176.9254 122 E 3.9819 8.3653 123.4406 59.6937 29.2772 178.7553 123 Q 3.9744 8.0413 117.5875 58.9612 28.8795 177.7615 124 H 4.1066 8.2459 118.8318 59.5352 29.9154 177.1648 125 L 3.9609 7.9188 120.5476 57.6526 41.3986 179.7089 126 R 3.9179 8.1711 118.5434 59.1706 29.9692 179.2564 127 K 3.9761 8.3399 118.8690 60.0783 32.5280 179.3806 128 S 4.1506 7.9154 115.8443 60.9991 62.6647 176.1891 129 E 3.9829 8.3885 122.1693 59.0365 29.3050 178.5987 130 A 3.7267 7.9915 120.9125 55.1356 18.4286 179.4264 131 Q 3.7865 7.8505 117.4852 59.2693 29.1341 178.2794 132 A 4.0318 7.9964 121.8560 54.8033 18.2843 179.5812 133 K 3.2850 7.9198 118.5911 59.3620 32.0307 179.2538 134 K 3.8885 7.7932 117.7076 59.7123 32.4265 177.8668 135 E 4.2304 8.0101 116.8730 55.1094 30.3165 176.1744 136 K 4.1581 8.1328 118.2266 56.1395 30.5420 175.0525 137 L 4.3246 8.2373 118.2937 55.3008 44.4473 178.8166 138 N 3.4341 9.4189 118.6182 54.1292 38.3309 176.1100 139 I 3.2181 5.4200 126.5798 64.2939 38.0152 176.9021 140 W 4.9138 7.9709 118.6914 56.2996 29.2580 176.5549 141 S 4.8323 8.1298 119.4275 58.0917 62.4958 173.9613 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 7 L 8.18 4.45 0.00 1.86 1.84 1.13 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.47 4.81 0.00 3.23 3.21 0.00 5.72 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.30 4.61 0.00 1.52 1.59 0.00 1.44 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.25 7.81 10 E 8.95 4.87 0.00 2.09 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 2.43 2.50 0.00 11 P 0.00 5.00 0.00 1.96 1.99 0.00 3.72 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 2.04 2.10 0.00 12 A 8.46 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.54 4.61 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 14 L 8.71 4.27 0.00 1.64 1.57 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.41 4.37 1.97 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 1.14 0.80 0.94 0.00 0.00 16 K 7.66 4.22 0.00 1.68 1.65 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.41 7.81 17 A 8.63 4.32 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 18 I 8.36 4.14 2.07 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 1.48 0.63 0.91 0.00 0.00 19 D 7.43 5.06 0.00 2.80 2.76 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 20 G 8.97 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.08 4.94 0.00 2.91 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 7.83 5.63 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 1.27 0.00 0.00 *24 K 8.29 4.67 0.00 1.78 1.84 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.52 7.81 25 L 9.46 5.28 0.00 1.59 1.59 0.31 0.57 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 26 M 9.11 4.95 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 27 Y 9.00 4.99 0.00 3.23 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 28 K 9.33 3.66 0.00 1.22 1.74 0.00 0.61 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.18 1.27 7.81 29 G 8.56 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.02 4.88 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 31 P 0.00 5.14 0.00 2.15 2.14 0.00 3.85 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 32 M 9.30 4.74 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.76 0.00 33 T 8.41 4.68 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 1.22 0.00 0.00 34 F 8.87 5.20 0.00 3.01 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 35 R 8.89 5.10 0.00 1.86 1.71 0.00 3.37 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 1.61 0.00 36 L 8.64 4.51 0.00 1.61 1.62 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.72 4.03 0.00 1.07 1.31 0.24 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.82 4.31 0.00 2.02 1.85 1.15 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.32 5.16 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 0.74 0.00 0.00 0.98 0.00 0.00 40 D 8.78 4.86 0.00 2.84 2.45 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 41 T 8.67 4.76 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 1.24 0.00 0.00 42 P 0.00 4.49 0.00 2.19 2.03 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.03 0.00 43 E 9.33 4.19 0.00 2.07 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 2.32 2.45 0.00 44 T 8.29 4.66 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 1.22 0.00 0.00 45 K 7.97 4.27 0.00 1.89 1.76 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.36 7.81 46 H 8.28 3.97 0.00 3.14 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.27 0.00 2.08 2.12 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 48 K 8.50 4.03 0.00 1.79 1.77 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.48 7.81 49 K 8.06 4.26 0.00 1.77 1.97 0.00 1.91 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.37 7.81 50 G 7.93 3.74 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 0.00 0.00 0.00 51 V 8.10 4.19 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 0.80 0.00 0.00 0.92 0.00 0.00 52 E 8.85 4.33 0.00 1.98 1.83 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 2.32 2.44 0.00 53 K 8.34 3.99 0.00 1.59 1.70 0.00 1.59 0.00 0.00 1.48 0.00 0.00 2.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.19 7.81 54 Y 8.15 4.33 0.00 3.14 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 55 G 8.07 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 56 P 0.00 4.32 0.00 2.16 2.10 0.00 3.53 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 57 E 8.21 4.01 0.00 2.40 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 0.00 2.55 2.51 0.00 58 A 8.48 4.06 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 0.00 0.00 0.00 0.00 0.00 59 S 8.15 4.15 0.00 4.11 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 60 A 8.19 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 3.98 0.00 3.26 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 62 T 8.35 3.89 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 1.23 0.00 0.00 63 K 8.10 3.91 0.00 1.89 2.00 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.48 7.81 64 K 8.22 4.00 0.00 1.61 1.73 0.00 1.75 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.68 1.55 7.81 65 M 7.33 3.68 0.00 1.98 1.67 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 2.50 2.54 0.00 66 V 7.70 3.98 2.05 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 0.91 0.00 0.00 0.97 0.00 0.00 67 E 8.02 4.11 0.00 2.10 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 2.33 2.49 0.00 68 N 7.94 4.76 0.00 2.65 2.79 0.00 0.00 6.87 7.33 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 69 A 7.31 4.43 1.29 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 0.00 0.00 70 K 9.10 4.21 0.00 1.91 1.87 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.50 7.81 71 K 8.79 4.73 0.00 1.74 1.83 0.00 1.24 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.40 7.81 72 I 8.40 5.09 1.99 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 1.33 1.08 0.85 0.00 0.00 73 E 9.09 5.16 0.00 1.91 1.83 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 2.19 2.25 0.00 74 V 8.97 4.70 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 0.09 0.00 0.00 0.64 0.00 0.00 75 E 8.93 5.02 0.00 2.21 2.29 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 2.48 2.56 0.00 76 F 8.92 4.74 0.00 3.07 2.94 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 77 D 8.51 4.91 0.00 2.64 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 78 K 8.71 4.34 0.00 1.94 1.97 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.21 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.43 7.81 79 G 8.36 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 4.07 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 7.04 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 81 R 8.38 4.46 0.00 1.60 1.43 0.00 2.80 0.00 0.00 2.82 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.39 0.00 82 T 7.42 4.99 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 1.12 0.00 0.00 83 D 8.40 4.78 0.00 2.92 2.88 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 84 K 8.33 3.70 0.00 1.54 1.76 0.00 1.14 0.00 0.00 1.46 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.08 0.30 7.81 85 Y 7.91 4.23 0.00 3.14 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 86 G 8.29 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 8.42 4.36 0.00 1.85 1.77 0.00 3.10 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 88 G 8.12 3.24 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 89 L 8.88 5.23 0.00 1.55 1.63 0.96 0.73 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 90 A 8.43 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.81 4.84 0.00 3.11 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 8.57 4.83 1.78 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.52 0.87 0.00 0.00 93 Y 9.19 5.12 0.00 2.89 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 94 A 9.05 4.78 1.20 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 0.00 0.00 95 D 9.72 4.48 0.00 2.79 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 96 G 8.26 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.86 4.49 0.00 2.03 1.77 0.00 1.69 0.00 0.00 1.59 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.38 7.81 98 M 8.60 3.93 0.00 1.94 1.67 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.43 0.00 99 V 8.68 3.61 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 1.02 0.00 0.00 0.95 0.00 0.00 100 N 8.12 4.30 0.00 2.91 2.95 0.00 0.00 7.05 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 0.00 101 E 8.11 3.94 0.00 2.00 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 0.00 2.26 2.27 0.00 102 A 8.14 4.05 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 0.00 103 L 7.95 3.72 0.00 1.89 1.68 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.41 3.72 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 1.16 0.00 0.00 0.99 0.00 0.00 105 R 8.05 3.87 0.00 2.05 2.08 0.00 3.33 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 106 Q 7.43 4.24 0.00 1.68 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.37 0.00 0.00 0.00 0.00 0.00 2.23 1.49 0.00 107 G 8.18 3.79 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 0.00 108 L 7.79 4.53 0.00 1.40 1.54 0.47 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.51 4.75 1.15 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 0.00 0.00 110 K 8.36 4.84 0.00 1.67 1.74 0.00 1.54 0.00 0.00 1.33 0.00 0.00 2.60 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.10 1.07 7.81 111 V 9.18 4.31 2.10 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 0.75 0.00 0.00 0.96 0.00 0.00 112 A 8.91 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.35 3.20 0.00 3.01 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 0.00 114 V 7.09 3.71 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 0.83 0.00 0.00 0.87 0.00 0.00 115 Y 7.88 4.91 0.00 3.09 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 0.00 116 K 8.83 4.27 0.00 1.81 1.81 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.44 7.81 117 P 0.00 4.80 0.00 2.21 2.16 0.00 3.80 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 2.04 2.00 0.00 118 N 8.17 4.97 0.00 2.99 2.88 0.00 0.00 6.95 8.35 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 0.00 119 N 7.60 5.23 0.00 2.98 3.00 0.00 0.00 6.13 7.58 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 0.00 120 T 8.65 3.86 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 1.10 0.00 0.00 121 H 8.04 4.88 0.00 2.81 3.10 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.37 3.98 0.00 2.19 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 2.33 2.38 0.00 123 Q 8.04 3.97 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.65 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 124 H 8.25 4.11 0.00 3.21 3.49 0.00 5.87 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 0.00 125 L 7.92 3.96 0.00 1.90 1.72 1.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.17 3.92 0.00 2.00 1.95 0.00 3.27 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.75 0.00 127 K 8.34 3.98 0.00 1.93 2.04 0.00 1.28 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.57 7.81 128 S 7.92 4.15 0.00 3.82 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 0.00 129 E 8.39 3.98 0.00 2.15 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 2.24 2.61 0.00 130 A 7.99 3.73 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 0.00 131 Q 7.85 3.79 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.04 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 132 A 8.00 4.03 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.92 3.28 0.00 1.37 1.42 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.45 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.73 0.21 7.81 134 K 7.79 3.89 0.00 1.88 1.84 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.43 7.81 135 E 8.01 4.23 0.00 1.97 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 2.31 2.47 0.00 136 K 8.13 4.16 0.00 1.92 1.89 0.00 1.72 0.00 0.00 1.96 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.51 7.81 137 L 8.24 4.32 0.00 1.86 1.69 0.94 0.63 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 9.42 3.43 0.00 2.40 1.42 0.00 0.00 7.03 7.58 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 0.00 139 I 5.42 3.22 1.11 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 0.84 -0.03 -0.52 0.00 0.00 140 W 7.97 4.91 0.00 3.39 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 0.00 141 S 8.13 4.83 0.00 3.99 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 * Residues marked with a * may have inaccurate shift predictions.