NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 M 4.3972 8.3049 120.3428 56.3949 33.7251 173.8473 7 I 3.9964 7.3437 116.0242 59.4881 40.6456 171.5081 8 P 4.3946 0.0000 0.0000 64.3311 32.1497 176.7130 9 G 3.8854 9.2046 112.2188 45.0460 0.0000 172.9252 10 G 3.9174 7.3670 108.4189 43.8386 0.0000 173.5824 11 L 4.3668 7.8491 119.2888 54.1846 42.7592 177.4678 12 S 4.4882 8.7304 116.8754 57.3330 65.1100 173.0130 13 E 4.1884 8.4720 120.4417 55.7350 29.8922 176.5891 14 A 4.3264 8.4133 127.7746 52.5562 19.4729 176.3920 15 K 4.5096 8.6503 117.4101 54.1901 37.1305 174.4102 16 P 4.8764 0.0000 0.0000 62.2727 32.2459 176.1530 17 A 4.6079 7.9922 122.8236 52.2572 19.2966 177.1450 18 T 4.6668 8.2536 113.0118 59.0014 70.6035 173.3038 19 P 4.3227 0.0000 0.0000 64.9998 31.2503 178.6370 20 E 3.8211 7.9141 118.4407 59.2252 29.5438 178.6801 21 I 3.3694 7.7952 120.1986 64.2916 37.1593 177.9953 22 Q 3.8807 8.0251 119.8729 59.2553 28.7893 177.7821 23 E 3.8511 8.4913 120.4381 59.6032 29.5684 178.9866 24 I 3.5257 7.4713 119.4802 64.1834 36.8495 178.6358 25 V 3.5089 7.5607 118.1393 66.2735 31.6054 177.2902 26 D 4.4072 8.4560 118.9133 57.3925 40.4573 178.7235 27 K 3.7625 7.8082 118.6726 59.4738 32.4993 178.3797 28 V 4.0535 7.5746 115.3147 61.5161 32.2602 177.5000 29 K 3.7650 8.3158 123.4345 59.6264 32.0137 176.3249 30 P 4.2129 0.0000 0.0000 65.9503 31.0323 178.2914 31 Q 4.0121 8.0059 116.3432 58.8676 29.1558 177.7915 32 L 4.0710 7.8989 121.4352 58.3150 41.8049 178.6702 33 E 3.9778 8.9529 118.8535 59.2951 29.1354 178.9013 34 E 4.2139 7.9082 117.0274 57.7381 29.8049 177.9484 35 K 4.3764 8.0222 117.7646 58.4763 33.3239 178.2319 36 T 4.0082 7.7401 112.6081 62.7824 67.2314 175.8647 37 N 4.4638 7.9161 116.7270 53.7404 39.6897 174.0928 38 E 3.9659 7.3337 116.4307 56.7010 29.8914 177.0431 39 T 4.1896 7.4761 117.3508 61.8675 68.8084 174.0197 40 Y 4.2537 7.8185 125.2107 57.0932 39.8261 176.5139 *43 G 3.9515 8.4859 107.9558 45.7699 0.0000 174.1536 44 K 4.2748 7.4765 123.1936 54.5731 30.6539 176.6534 45 L 4.2305 7.3364 119.1731 54.4633 41.4225 176.8566 46 E 4.3172 9.0462 124.7509 54.4329 30.0484 174.7525 47 A 4.5154 8.7835 129.4511 51.2830 17.6864 175.7846 48 V 4.5483 8.5687 115.4380 60.7068 35.0090 178.1407 49 Q 4.6460 9.1387 131.5791 58.2441 29.7058 173.6414 50 Y 5.5386 9.0361 122.4829 55.8494 42.2627 173.7693 51 K 4.7515 9.3857 118.6367 55.1722 36.8949 175.7281 52 T 4.9243 8.9890 119.6004 62.1087 72.1818 173.1438 53 Q 4.6776 8.1995 122.9137 54.6015 33.1116 173.4916 54 V 4.5430 8.4055 125.1961 61.5843 32.9207 174.7772 55 V 4.4281 7.8426 122.1599 60.5615 34.5661 176.0090 56 A 4.4891 8.5364 120.6955 51.3812 17.8917 175.1154 57 G 4.1983 6.4733 120.3940 43.9229 0.0000 174.0557 58 T 4.6256 8.8844 123.1785 62.3971 72.9745 171.6521 59 N 5.0563 8.8149 124.4927 51.7826 38.9544 172.3600 60 Y 4.5375 9.1521 121.1133 57.9142 39.7000 173.9550 61 Y 5.2223 9.4176 121.8085 56.3981 40.8626 174.9084 62 I 5.2710 9.4117 124.7451 59.4313 41.9688 174.3058 63 K 5.1089 9.1907 126.7238 55.3860 34.2822 175.4534 64 V 4.8520 9.1228 126.0665 61.1874 35.5085 173.9561 65 R 4.2754 8.7917 127.9364 54.9586 31.0605 174.2324 66 A 4.8457 7.9700 134.8004 51.3423 21.5852 176.0226 67 G 3.9137 8.5610 97.3618 46.7772 0.0000 174.6647 68 D 4.1921 9.3898 125.6516 56.9699 40.8431 175.4396 *92 N 4.5986 7.6754 118.7780 53.0743 38.8575 172.0954 93 K 4.6253 7.6550 124.0514 54.2820 36.4649 174.1133 94 Y 5.2127 8.5406 123.0673 56.7660 40.9799 174.0217 95 M 4.9158 8.8348 124.6310 54.2302 35.5747 174.6540 96 H 5.5885 9.1589 119.9312 54.2637 31.7752 172.5335 97 L 4.9532 9.1442 124.8378 53.4055 43.7251 176.1619 98 K 4.4946 9.2397 125.8445 54.6697 33.2184 173.7495 99 V 4.5790 8.7439 127.3403 61.4167 33.2448 174.4659 100 F 5.2838 9.2746 130.6966 57.0557 41.6889 174.1801 101 K 4.3395 7.2412 124.6524 54.4911 35.1688 175.8378 102 S 4.7725 8.2658 122.8613 57.6599 64.3416 174.1423 102A L 4.2222 8.4012 121.6020 53.9025 42.1453 176.6483 103 P 4.4024 0.0000 0.0000 65.6854 31.2511 178.0897 104 G 3.7149 7.8578 106.4529 48.7290 0.0000 174.8028 105 Q 3.9691 8.0959 119.6429 56.8106 29.0294 175.3883 105A N 4.0738 8.4566 117.3071 53.6172 36.8869 171.3126 106 E 4.6565 7.9888 120.0699 53.1934 32.9805 174.9155 107 D 4.4215 8.6815 124.9336 53.9582 41.8845 175.4392 108 L 4.1089 8.4107 123.1865 55.8611 42.1675 176.9229 109 V 4.4835 8.3912 117.1991 59.2624 34.4837 175.0060 110 L 4.6598 8.4271 127.4174 55.2404 41.9949 176.4335 111 T 4.5054 8.7942 116.6326 61.5742 70.2452 174.5237 112 G 4.3848 7.8955 107.3827 46.2568 0.0000 172.0059 113 Y 5.5564 8.0648 118.5304 55.6269 41.0396 173.9096 114 Q 4.6061 8.9933 120.7694 54.1017 32.1664 174.6609 115 V 4.4150 8.3679 122.3499 61.8423 34.1571 173.8766 115A D 4.3783 8.7557 125.0259 54.6221 38.4441 172.5359 116 K 4.6968 8.8892 120.3357 54.0393 36.1655 175.9008 117 N 4.6688 8.3362 117.5054 51.6800 39.9500 176.2449 118 K 2.6258 7.6778 121.8009 59.1595 32.0533 176.7525 119 D 4.8065 7.5359 116.5004 54.0975 41.3939 175.6996 120 D 4.5679 7.7038 118.3158 53.2303 42.1923 175.0938 121 E 4.2351 8.5128 125.9372 54.7160 30.0916 175.7651 122 L 4.0544 8.1023 127.2745 55.2522 41.4660 176.6963 123 T 4.5345 8.3824 113.6895 59.0252 71.3983 173.9843 124 G 3.7740 8.6598 113.1613 46.2781 0.0000 173.3553 125 F 4.6209 8.4028 120.3097 56.4042 38.1693 175.9200 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 M 8.30 4.40 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 7 I 7.34 4.00 1.84 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 1.40 0.62 0.89 0.00 0.00 8 P 0.00 4.39 0.00 2.03 1.99 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 9 G 9.20 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 10 G 7.37 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 11 L 7.85 4.37 0.00 1.34 1.29 0.17 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.73 4.49 0.00 3.75 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 13 E 8.47 4.19 0.00 1.94 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 2.21 2.25 0.00 14 A 8.41 4.33 1.16 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 0.00 0.00 15 K 8.65 4.51 0.00 0.88 1.43 0.00 1.21 0.00 0.00 0.61 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.11 1.27 7.81 16 P 0.00 4.88 0.00 1.98 2.03 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 17 A 7.99 4.61 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 18 T 8.25 4.67 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 19 P 0.00 4.32 0.00 2.18 2.09 0.00 3.65 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 2.12 2.16 0.00 20 E 7.91 3.82 0.00 1.99 1.87 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 2.20 2.31 0.00 21 I 7.80 3.37 1.99 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.04 0.84 0.00 0.00 22 Q 8.03 3.88 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 23 E 8.49 3.85 0.00 2.16 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 2.24 2.32 0.00 24 I 7.47 3.53 1.74 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.84 0.61 0.00 0.00 25 V 7.56 3.51 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 0.91 0.00 0.00 26 D 8.46 4.41 0.00 2.82 2.65 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 27 K 7.81 3.76 0.00 1.70 1.87 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.43 7.81 28 V 7.57 4.05 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 0.79 0.00 0.00 0.94 0.00 0.00 29 K 8.32 3.76 0.00 1.79 2.01 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.15 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.56 7.81 30 P 0.00 4.21 0.00 2.20 2.11 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 31 Q 8.01 4.01 0.00 2.06 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.07 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 32 L 7.90 4.07 0.00 1.92 1.73 0.51 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.95 3.98 0.00 2.15 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 2.55 2.50 0.00 34 E 7.91 4.21 0.00 2.13 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 2.70 0.00 35 K 8.02 4.38 0.00 1.85 2.02 0.00 1.86 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.68 7.81 36 T 7.74 4.01 4.07 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 1.27 0.00 0.00 37 N 7.92 4.46 0.00 2.90 2.95 0.00 0.00 7.24 7.53 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 38 E 7.33 3.97 0.00 1.31 1.12 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 2.18 2.16 0.00 39 T 7.48 4.19 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 1.15 0.00 0.00 40 Y 7.82 4.25 0.00 2.96 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 *43 G 8.49 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 44 K 7.48 4.27 0.00 1.79 1.70 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.43 7.81 45 L 7.34 4.23 0.00 1.53 1.56 0.77 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.05 4.32 0.00 2.05 1.85 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 2.28 2.26 0.00 47 A 8.78 4.52 1.28 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 0.00 0.00 0.00 48 V 8.57 4.55 2.19 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 0.90 0.00 0.00 1.16 0.00 0.00 49 Q 9.14 4.65 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 50 Y 9.04 5.54 0.00 3.23 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 51 K 9.39 4.75 0.00 1.61 1.53 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.75 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.34 7.81 52 T 8.99 4.92 4.21 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 1.09 0.00 0.00 53 Q 8.20 4.68 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 54 V 8.41 4.54 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 0.87 0.00 0.00 0.90 0.00 0.00 55 V 7.84 4.43 2.17 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 0.82 0.00 0.00 1.17 0.00 0.00 56 A 8.54 4.49 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 6.47 4.20 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 0.00 58 T 8.88 4.63 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 0.96 0.00 0.00 59 N 8.81 5.06 0.00 2.96 3.12 0.00 0.00 6.70 6.84 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 60 Y 9.15 4.54 0.00 2.99 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 61 Y 9.42 5.22 0.00 2.91 2.96 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 62 I 9.41 5.27 1.98 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 1.33 1.14 1.15 0.00 0.00 63 K 9.19 5.11 0.00 1.93 1.86 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.60 7.81 64 V 9.12 4.85 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 0.80 0.00 0.00 0.95 0.00 0.00 65 R 8.79 4.28 0.00 1.87 1.71 0.00 3.14 0.00 0.00 2.92 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.55 0.00 66 A 7.97 4.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.56 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 68 D 9.39 4.19 0.00 2.77 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 *92 N 7.68 4.60 0.00 2.74 2.82 0.00 0.00 7.04 6.68 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 93 K 7.65 4.63 0.00 1.78 1.49 0.00 1.78 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.41 1.45 7.81 94 Y 8.54 5.21 0.00 3.21 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 95 M 8.83 4.92 0.00 2.07 1.81 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.47 0.00 96 H 9.16 5.59 0.00 3.07 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 9.14 4.95 0.00 1.72 1.66 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 98 K 9.24 4.49 0.00 1.11 1.52 0.00 0.66 0.00 0.00 0.98 0.00 0.00 2.50 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.64 0.21 7.81 99 V 8.74 4.58 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 0.80 0.00 0.00 0.92 0.00 0.00 100 F 9.27 5.28 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 0.00 101 K 7.24 4.34 0.00 1.74 1.37 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.15 1.44 7.81 102 S 8.27 4.77 0.00 4.03 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 102A L 8.40 4.22 0.00 1.74 1.60 0.96 1.01 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 0.00 103 P 0.00 4.40 0.00 2.04 2.14 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 104 G 7.86 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 0.00 105 Q 8.10 3.97 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.48 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 105A N 8.46 4.07 0.00 2.96 2.81 0.00 0.00 6.95 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 0.00 106 E 7.99 4.66 0.00 1.97 1.85 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 2.24 2.31 0.00 107 D 8.68 4.42 0.00 2.68 2.57 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 0.00 108 L 8.41 4.11 0.00 1.50 1.58 0.84 0.70 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 0.00 109 V 8.39 4.48 2.19 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 0.84 0.00 0.00 1.22 0.00 0.00 110 L 8.43 4.66 0.00 1.71 1.66 0.99 0.98 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 0.00 111 T 8.79 4.51 4.19 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 1.19 0.00 0.00 112 G 7.90 4.38 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 0.00 113 Y 8.06 5.56 0.00 2.93 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 0.00 114 Q 8.99 4.61 0.00 1.78 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 1.74 1.16 0.00 115 V 8.37 4.41 2.15 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 0.84 0.00 0.00 1.14 0.00 0.00 115A D 8.76 4.38 0.00 2.88 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 0.00 116 K 8.89 4.70 0.00 1.58 1.67 0.00 1.62 0.00 0.00 1.40 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.32 7.81 117 N 8.34 4.67 0.00 2.73 2.61 0.00 0.00 6.43 7.70 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 0.00 118 K 7.68 2.63 0.00 1.06 1.59 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.46 7.81 119 D 7.54 4.81 0.00 2.64 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 0.00 120 D 7.70 4.57 0.00 2.77 2.56 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 0.00 121 E 8.51 4.24 0.00 1.95 1.87 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 2.26 2.38 0.00 122 L 8.10 4.05 0.00 1.50 1.67 1.16 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.38 4.53 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 1.30 0.00 0.00 124 G 8.66 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 0.00 0.00 0.00 125 F 8.40 4.62 0.00 3.18 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 * Residues marked with a * may have inaccurate shift predictions.