NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1413 8.1476 120.3514 56.6594 32.3526 174.6913 2 S 3.8087 7.2794 113.1614 56.7869 60.7588 169.0579 3 E 4.4851 9.2744 129.8118 57.2904 31.1049 176.8320 4 K 3.9123 7.9968 115.5854 56.5034 31.9863 174.8023 5 K 4.0566 9.0740 127.6272 57.0163 31.6412 176.5941 6 R 4.4195 7.9748 117.2700 54.8954 33.5785 175.0279 7 G 3.8783 8.6196 114.3020 45.9430 0.0000 171.2229 8 A 4.2900 7.7646 119.6016 52.2156 21.1438 174.9796 9 G 3.9465 8.7664 106.7940 44.7763 0.0000 173.3291 10 T 3.8047 7.9944 113.9782 62.0442 67.9345 173.7853 11 R 4.0136 8.7863 123.1164 57.2329 29.6053 176.0087 12 K 4.4100 8.1252 128.7908 54.5660 30.8998 174.2495 13 D 4.8974 7.5239 121.4733 52.7440 46.0601 174.0762 14 E 4.9108 8.1323 120.0536 55.0765 31.8143 175.8865 15 V 4.1628 8.0838 120.4658 62.9286 32.2145 176.0671 16 V 4.2025 7.5918 118.1916 63.0725 33.9387 170.3378 17 T 5.0197 8.1932 113.0566 61.0358 71.0846 173.4078 18 R 4.6799 9.0647 121.4443 54.7400 34.1206 173.3387 19 E 5.1707 8.5575 123.1534 55.1146 31.1747 175.0222 20 Y 4.8567 8.9598 121.4795 56.4821 42.5215 174.4037 21 T 4.9506 8.7256 118.4416 62.1248 70.6052 173.8590 22 I 4.1002 8.3722 127.9205 59.4085 39.1892 174.7838 23 N 4.7318 8.0786 125.3218 51.9423 37.7989 175.7183 24 L 4.6400 8.8471 126.0736 56.3440 41.6939 178.9849 25 H 4.1068 8.2526 115.2915 58.7222 28.1089 177.4608 26 K 3.6915 7.8055 119.5935 59.1807 31.8387 179.1872 27 R 4.0193 7.8324 117.6570 58.8508 30.0179 178.7451 28 L 3.9037 8.0889 120.7496 58.4407 41.9083 178.8414 29 H 4.1656 8.0944 113.9805 58.5068 28.4058 177.3904 30 G 3.7387 7.3840 107.1898 46.7947 0.0000 173.4925 31 C 4.4312 7.5007 120.3784 58.0714 32.1892 172.9248 32 T 4.0810 8.0808 112.1052 61.3334 69.2262 175.1997 33 F 4.0994 8.8580 125.2224 61.3838 39.8205 177.4322 34 K 3.9515 8.2458 120.1738 59.3173 32.0814 177.0826 35 K 4.3280 8.1552 116.9558 56.4990 32.4018 177.7910 36 K 3.9520 7.9194 118.0829 60.1426 31.4727 178.6178 37 A 3.5624 7.6795 120.9213 54.5895 17.8818 177.8961 38 P 4.3416 0.0000 0.0000 65.9523 31.2380 178.1623 39 N 4.2704 8.3557 116.9520 56.3075 38.7824 176.6973 40 A 4.7553 7.7420 123.0918 54.8318 18.6050 179.1560 41 I 3.6805 7.4211 115.9405 64.2852 37.9923 178.2297 42 K 4.0408 7.8956 119.2160 59.3575 31.7253 179.0658 43 E 4.0132 8.2675 118.8880 59.5388 29.5393 179.4632 44 I 3.8318 8.0114 119.7540 64.5721 36.8831 178.4957 45 R 3.9431 8.0532 119.4517 59.2550 29.8689 178.5007 46 K 3.7621 8.7024 119.8472 59.3810 32.1011 178.9376 47 F 3.8285 8.5061 118.1169 60.4524 38.7987 177.5046 48 A 4.0065 8.0642 120.2270 55.1062 18.0700 179.3665 49 Q 4.1263 7.5936 119.0945 58.5771 28.8865 178.5894 50 K 3.8352 7.6322 119.0099 59.4354 32.3783 178.3243 51 A 4.0375 7.9362 119.8164 55.5518 18.3781 179.2628 52 M 4.2629 8.4393 116.4897 56.6635 32.0989 178.0061 53 G 3.9568 8.6694 105.8834 45.5066 0.0000 172.8327 54 T 4.6838 7.4477 108.1796 59.5137 71.6529 174.8254 55 T 3.7247 8.5434 118.1999 64.7635 67.8512 173.7581 56 D 4.6669 7.9536 122.3815 53.3475 41.9174 174.8044 57 I 4.8245 8.2898 126.2416 59.1425 40.7252 174.4607 58 R 4.7314 8.9083 128.2643 54.3969 32.7423 174.6845 59 I 4.7604 8.1772 123.1760 58.9969 40.3094 174.6166 60 D 4.5722 8.6978 129.0752 54.0251 42.0203 177.4224 61 V 3.6795 8.5119 122.7342 65.6412 31.5650 178.3092 62 K 3.9415 8.2302 119.3596 59.4572 32.1946 178.5388 63 L 4.8925 7.8212 120.6053 57.2801 41.5848 178.9261 64 N 4.4863 8.1025 116.5652 56.7413 39.0061 176.6688 65 K 4.0279 8.4242 120.9674 59.3686 32.0471 178.6081 66 A 4.0415 7.8953 120.1614 55.2885 18.4190 179.4226 67 I 3.8259 7.5597 116.6220 64.4264 37.5491 178.5620 68 W 4.1913 8.4947 119.1233 59.1003 28.6240 178.3810 69 T 3.9364 7.7485 113.0695 65.5490 66.8079 175.3846 70 N 4.5600 8.1161 116.6161 56.0655 38.9548 174.8234 71 G 3.9996 7.6169 105.0916 43.4900 0.0000 172.7065 72 I 3.5543 8.4607 119.5400 63.8607 38.0064 178.4908 73 R 4.9664 7.8553 113.8718 56.7010 30.0269 175.8752 74 S 4.7795 7.9702 113.3447 56.2402 64.0503 172.9394 75 V 4.4492 7.9803 126.2028 60.0960 34.3530 173.2498 76 P 4.5035 0.0000 0.0000 62.2955 32.3017 176.8631 77 R 4.1321 8.6204 119.8676 59.3755 30.7162 176.7020 78 R 4.9873 7.6186 113.5023 55.1165 35.0267 174.4048 79 V 4.4896 8.2495 118.9163 61.4234 35.2075 174.2332 80 R 4.6691 8.6948 126.8687 56.1081 30.9159 175.9911 81 V 4.6612 9.2492 123.4497 61.0539 35.3624 173.8999 82 R 4.9580 8.9680 127.7823 54.7701 31.9983 174.5290 83 I 5.0554 8.7685 126.5078 59.3444 41.1073 173.9398 84 S 5.2486 9.4596 124.2098 56.6579 65.9450 173.3866 85 R 4.9675 8.4622 119.6714 54.9855 29.5311 173.3449 86 K 4.9522 8.7455 126.5391 56.0005 36.7919 174.8292 87 R 4.3191 8.8382 120.3145 54.5611 29.5600 176.4256 88 N 4.3878 8.6321 117.1894 55.8856 37.7121 176.1227 89 D 4.2481 8.0660 117.6850 55.3398 41.9190 174.4784 90 E 3.7552 7.7511 118.4610 56.4878 27.2862 172.5826 91 E 4.9607 8.1759 118.4500 54.3685 33.7759 175.8000 92 D 5.2684 9.0910 121.2972 52.8122 43.6763 174.8255 93 A 5.0909 9.2676 126.9005 50.1582 22.2612 175.1493 94 K 5.2683 8.8609 120.6407 55.0562 37.1934 175.0210 95 E 5.0144 8.7389 118.9931 55.5924 33.6918 174.0471 96 E 4.6187 8.7319 119.0450 56.3629 31.2411 176.2403 97 L 5.2492 8.0743 120.1583 53.7458 44.8757 175.2060 98 Y 4.8425 7.9956 118.1886 57.2755 41.9045 174.9406 99 S 4.4680 6.9410 114.3474 57.5607 65.1505 175.9817 100 L 3.9230 8.6445 128.0412 57.4454 41.7280 176.7042 101 V 4.5758 7.8728 118.8293 59.8048 32.4517 170.2660 102 T 4.1083 6.8140 113.1495 61.5908 68.8872 171.2412 103 V 4.4787 7.8063 121.3418 59.7091 34.7612 174.1037 104 A 4.9347 8.1844 121.8525 50.6523 22.2083 173.6971 105 E 4.4692 7.9497 123.3373 56.4375 35.4116 177.6298 106 I 4.4013 7.7639 116.4015 59.0618 37.1478 174.1279 107 P 4.2900 0.0000 0.0000 66.0637 31.5299 177.9341 108 A 3.9482 7.9984 119.9756 55.0927 18.1620 179.3252 109 E 4.0145 8.5668 117.6741 59.5384 29.5151 179.7814 110 G 3.6100 7.8434 105.8776 47.7307 0.0000 175.7746 111 L 4.0133 7.8417 120.8658 57.4877 41.7753 179.5914 112 K 4.0862 8.2318 118.6284 59.4186 32.1296 179.6732 113 G 3.6146 8.0861 106.0457 47.5061 0.0000 175.4721 114 L 4.0587 7.9640 122.0481 58.0737 42.6194 179.1182 115 G 3.7347 8.1217 105.6114 48.0906 0.0000 175.8461 116 T 4.0977 7.8211 119.5908 66.9604 68.8547 177.3876 *117 K 4.2143 8.2446 127.8050 60.1003 31.4576 182.4362 *118 V 3.9228 7.3771 120.1161 64.9327 31.6277 182.2247 *119 V 3.5421 7.9669 107.9495 64.3629 30.5744 179.3718 *120 E 4.2485 9.4189 115.0592 56.9742 29.5814 178.6418 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 8.15 4.14 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 2 S 7.28 3.81 0.00 4.25 4.16 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 3 E 9.27 4.49 0.00 2.02 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 2.31 2.30 0.00 4 K 8.00 3.91 0.00 1.69 1.78 0.00 1.85 0.00 0.00 2.01 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.74 1.34 7.81 5 K 9.07 4.06 0.00 1.86 1.63 0.00 1.82 0.00 0.00 1.63 0.00 0.00 3.17 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.60 7.81 6 R 7.97 4.42 0.00 1.75 1.75 0.00 3.35 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 7 G 8.62 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 8 A 7.76 4.29 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 9 G 8.77 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 10 T 7.99 3.80 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 1.21 0.00 0.00 11 R 8.79 4.01 0.00 1.84 2.31 0.00 3.32 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 12 K 8.13 4.41 0.00 1.72 1.71 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.50 7.81 13 D 7.52 4.90 0.00 2.69 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 14 E 8.13 4.91 0.00 1.88 1.79 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 2.20 2.32 0.00 15 V 8.08 4.16 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 0.82 0.00 0.00 0.99 0.00 0.00 16 V 7.59 4.20 2.46 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 0.86 0.00 0.00 1.00 0.00 0.00 17 T 8.19 5.02 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 1.22 0.00 0.00 18 R 9.06 4.68 0.00 1.82 1.68 0.00 2.21 0.00 0.00 2.60 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.63 0.00 19 E 8.56 5.17 0.00 1.82 1.84 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 2.23 2.29 0.00 20 Y 8.96 4.86 0.00 2.92 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 21 T 8.73 4.95 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 1.19 0.00 0.00 22 I 8.37 4.10 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 1.26 1.71 0.62 0.00 0.00 23 N 8.08 4.73 0.00 2.55 2.66 0.00 0.00 6.31 7.79 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 24 L 8.85 4.64 0.00 1.98 1.85 0.94 0.85 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 25 H 8.25 4.11 0.00 3.33 3.37 0.00 5.48 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 26 K 7.81 3.69 0.00 1.71 1.86 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.45 7.81 27 R 7.83 4.02 0.00 2.05 2.10 0.00 3.26 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 28 L 8.09 3.90 0.00 1.93 1.75 0.83 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 29 H 8.09 4.17 0.00 3.18 3.32 0.00 5.82 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.38 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 31 C 7.50 4.43 0.00 2.90 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 32 T 8.08 4.08 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 33 F 8.86 4.10 0.00 3.10 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 34 K 8.25 3.95 0.00 1.79 1.85 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.45 7.81 35 K 8.16 4.33 0.00 1.76 1.78 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.42 7.81 36 K 7.92 3.95 0.00 1.96 1.76 0.00 1.56 0.00 0.00 1.45 0.00 0.00 2.61 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.44 1.56 7.81 37 A 7.68 3.56 0.43 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 0.00 0.00 0.00 38 P 0.00 4.34 0.00 2.32 2.50 0.00 3.51 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 39 N 8.36 4.27 0.00 2.73 2.92 0.00 0.00 6.97 7.76 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 40 A 7.74 4.76 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 41 I 7.42 3.68 2.03 0.00 0.00 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 1.63 1.44 1.06 0.00 0.00 42 K 7.90 4.04 0.00 2.00 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.68 7.81 43 E 8.27 4.01 0.00 2.23 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 2.40 2.70 0.00 44 I 8.01 3.83 1.94 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 1.44 1.37 0.97 0.00 0.00 45 R 8.05 3.94 0.00 2.07 2.13 0.00 3.16 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 46 K 8.70 3.76 0.00 1.71 1.59 0.00 1.56 0.00 0.00 1.42 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.11 1.32 7.81 47 F 8.51 3.83 0.00 3.11 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 48 A 8.06 4.01 1.46 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 0.00 0.00 0.00 49 Q 7.59 4.13 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.63 2.35 0.00 50 K 7.63 3.84 0.00 1.68 1.75 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.50 7.81 51 A 7.94 4.04 1.05 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 52 M 8.44 4.26 0.00 1.99 2.21 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 2.77 0.00 53 G 8.67 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 0.00 0.00 0.00 54 T 7.45 4.68 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 1.32 0.00 0.00 55 T 8.54 3.72 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 1.21 0.00 0.00 56 D 7.95 4.67 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 57 I 8.29 4.82 1.89 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 1.36 1.10 1.04 0.00 0.00 58 R 8.91 4.73 0.00 1.95 1.81 0.00 3.13 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 59 I 8.18 4.76 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.93 0.95 0.00 0.00 60 D 8.70 4.57 0.00 3.17 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 61 V 8.51 3.68 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 1.02 0.00 0.00 0.93 0.00 0.00 62 K 8.23 3.94 0.00 1.88 1.88 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.57 7.81 63 L 7.82 4.89 0.00 1.96 1.76 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.10 4.49 0.00 2.87 2.97 0.00 0.00 6.83 6.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.42 4.03 0.00 1.93 2.01 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.56 7.81 66 A 7.90 4.04 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 67 I 7.56 3.83 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.78 0.73 0.00 0.00 68 W 8.49 4.19 0.00 3.53 3.36 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 0.00 0.00 0.00 0.00 69 T 7.75 3.94 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 1.33 0.00 0.00 70 N 8.12 4.56 0.00 2.94 2.88 0.00 0.00 6.93 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 71 G 7.62 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 72 I 8.46 3.55 1.91 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 1.50 1.07 0.98 0.00 0.00 73 R 7.86 4.97 0.00 2.20 2.07 0.00 2.40 0.00 0.00 3.48 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 74 S 7.97 4.78 0.00 3.88 3.80 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 0.00 0.00 0.00 75 V 7.98 4.45 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 0.84 0.00 0.00 0.77 0.00 0.00 76 P 0.00 4.50 0.00 2.07 1.95 0.00 3.72 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 2.03 2.10 0.00 77 R 8.62 4.13 0.00 1.73 1.90 0.00 3.07 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 78 R 7.62 4.99 0.00 1.62 1.82 0.00 3.18 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 79 V 8.25 4.49 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 1.07 0.00 0.00 0.94 0.00 0.00 80 R 8.69 4.67 0.00 1.75 1.87 0.00 3.17 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 1.63 1.62 0.00 81 V 9.25 4.66 2.24 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 1.06 0.00 0.00 0.96 0.00 0.00 82 R 8.97 4.96 0.00 1.93 1.80 0.00 3.28 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 83 I 8.77 5.06 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.80 1.19 0.00 0.00 84 S 9.46 5.25 0.00 3.87 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.46 4.97 0.00 2.08 2.03 0.00 2.97 0.00 0.00 3.15 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 86 K 8.75 4.95 0.00 1.83 1.63 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.45 7.81 87 R 8.84 4.32 0.00 2.03 2.26 0.00 3.23 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 88 N 8.63 4.39 0.00 2.83 2.95 0.00 0.00 6.01 8.06 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 89 D 8.07 4.25 0.00 2.66 2.74 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 90 E 7.75 3.76 0.00 2.23 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 2.21 2.34 0.00 91 E 8.18 4.96 0.00 2.07 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 2.32 2.22 0.00 92 D 9.09 5.27 0.00 2.73 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 93 A 9.27 5.09 1.21 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 0.00 0.00 94 K 8.86 5.27 0.00 1.80 1.69 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.69 7.81 95 E 8.74 5.01 0.00 2.13 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 0.00 2.22 2.32 0.00 96 E 8.73 4.62 0.00 1.96 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 2.46 2.42 0.00 97 L 8.07 5.25 0.00 1.69 1.63 1.07 0.80 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 98 Y 8.00 4.84 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 99 S 6.94 4.47 0.00 3.75 3.53 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 0.00 0.00 0.00 0.00 100 L 8.64 3.92 0.00 1.62 1.66 0.99 0.94 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 0.00 101 V 7.87 4.58 2.03 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 0.64 0.00 0.00 0.90 0.00 0.00 102 T 6.81 4.11 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 1.20 0.00 0.00 103 V 7.81 4.48 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 0.81 0.00 0.00 0.92 0.00 0.00 104 A 8.18 4.93 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 0.00 105 E 7.95 4.47 0.00 2.03 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 2.17 2.22 0.00 106 I 7.76 4.40 1.85 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 1.49 0.90 0.00 0.00 107 P 0.00 4.29 0.00 2.30 2.23 0.00 3.66 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 108 A 8.00 3.95 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 0.00 109 E 8.57 4.01 0.00 2.08 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 2.31 2.46 0.00 110 G 7.84 3.61 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 0.00 0.00 0.00 111 L 7.84 4.01 0.00 1.83 1.73 0.90 0.80 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 0.00 112 K 8.23 4.09 0.00 1.99 1.85 0.00 1.71 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 1.45 1.60 7.81 113 G 8.09 3.61 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 0.00 0.00 0.00 114 L 7.96 4.06 0.00 1.71 1.89 0.91 0.93 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 0.00 115 G 8.12 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.82 4.10 4.36 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 0.00 0.00 0.00 1.21 0.00 0.00 *117 K 8.24 4.21 0.00 1.80 1.82 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 *118 V 7.38 3.92 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 0.89 0.00 0.00 0.93 0.00 0.00 *119 V 7.97 3.54 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 0.82 0.00 0.00 0.93 0.00 0.00 *120 E 9.42 4.25 0.00 1.98 1.75 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 2.23 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.