NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 I 4.4052 8.0093 121.4111 61.4044 38.5179 174.3672 7 S 4.7298 8.5027 121.8886 56.0224 65.8565 171.4025 8 L 5.3420 8.2466 122.0351 53.1514 44.0974 177.0099 9 R 4.8920 8.8664 118.5747 54.6132 33.4108 174.1620 10 A 4.5276 8.6739 121.4807 51.6865 18.9982 177.5329 11 A 4.3920 9.1230 123.5248 52.2914 19.5258 176.9613 12 G 4.2185 9.9338 108.2012 42.1754 0.0000 172.0059 13 P 4.4344 0.0000 0.0000 65.9591 30.9479 178.9592 14 G 3.4387 8.0828 101.8112 46.9374 0.0000 174.3946 15 D 4.5646 8.4833 120.3734 54.8502 40.9444 177.7839 16 L 3.2223 7.2149 122.1704 57.6370 41.9555 177.0851 17 P 4.2534 0.0000 0.0000 65.4625 31.3327 178.8624 18 G 3.4720 7.8537 104.0621 47.6713 0.0000 175.6202 19 L 3.5591 8.0025 121.8016 57.3321 41.5061 179.5309 20 L 4.0009 7.9952 119.3243 57.6251 41.4957 179.2120 21 E 3.8487 8.2272 119.2770 59.2456 29.6092 178.7984 22 L 3.8851 7.6859 118.8755 58.2159 41.7099 179.3182 23 Y 4.4816 8.0523 116.8067 60.9672 37.1924 178.2591 24 Q 4.0221 8.4263 121.0436 58.8955 28.8712 178.3811 25 V 3.6027 7.5373 118.8745 65.7116 31.6616 177.4351 26 L 4.3018 7.9503 118.9705 56.8990 43.2968 176.9403 27 N 4.9474 8.1175 118.2813 49.8902 38.7673 172.9536 28 P 4.5176 0.0000 0.0000 64.6643 31.6947 178.7335 29 S 4.3282 7.9291 113.6076 60.2171 63.2630 174.3370 30 D 4.4677 7.8628 121.1127 53.1904 41.0169 174.5906 31 P 4.3222 0.0000 0.0000 62.4704 31.8499 175.9449 32 E 4.1293 8.5751 121.7942 56.3584 30.2593 175.9049 33 L 5.1973 8.2889 122.3949 51.9263 45.1891 176.9787 34 T 4.1461 8.5935 113.4434 61.4393 70.6562 174.2754 35 T 3.5240 8.3304 114.7486 64.7294 65.6505 171.8563 36 Q 4.6048 6.8818 119.3788 55.1868 34.1165 176.7950 37 E 3.8155 8.9541 117.5867 57.4947 27.6654 173.4335 38 A 4.1585 8.9936 121.1039 54.0192 16.4838 180.9196 39 G 3.8926 8.3831 102.6174 46.9971 0.0000 175.7531 40 A 4.0058 8.0272 122.7447 55.1469 18.2891 179.7728 41 V 3.5587 7.6890 115.0351 66.0169 31.8339 177.3505 42 F 4.5698 7.9646 118.5810 61.4606 39.4991 176.4290 43 A 3.9524 8.3903 120.3491 55.0504 18.0745 180.0056 44 A 3.7616 7.7329 115.3817 53.1758 17.9465 179.1786 *46 L 4.0164 7.8811 121.8098 56.0525 43.4993 178.3449 47 A 4.0395 7.6321 119.8582 53.8140 18.7929 177.2780 48 Q 4.0114 7.9370 118.6055 55.1707 29.2090 173.8158 49 P 4.2009 0.0000 0.0000 63.9757 31.9244 177.1513 50 G 3.9212 8.9173 110.2306 45.2046 0.0000 172.0907 51 L 5.0523 7.2863 122.1848 53.9559 43.5419 175.8515 52 T 4.4432 8.8294 122.3433 61.7589 72.6228 172.9241 53 I 4.5313 8.1769 127.0638 60.1963 38.7343 174.7704 54 F 5.1825 9.0679 127.1223 56.7182 40.8535 175.6417 55 V 5.0073 9.1718 115.2784 59.5791 35.8122 174.2841 56 A 5.2431 8.7749 126.2061 50.8025 20.5400 176.1413 57 T 4.9676 8.9116 112.9749 59.7183 72.3023 173.0431 58 E 4.6398 8.8460 124.7603 54.4282 32.1296 175.7021 59 N 4.0075 9.9665 127.1867 54.3386 36.3728 174.1194 60 G 4.0741 8.3662 105.4118 45.2028 0.0000 173.7839 61 K 4.1793 7.7410 121.2576 54.3652 32.9059 174.0658 62 P 4.6357 0.0000 0.0000 63.0757 31.5903 176.2983 63 V 4.3128 8.5818 115.7141 61.1291 33.9663 175.1518 64 A 4.9851 7.5090 120.7052 51.4184 22.6659 174.9379 65 T 5.5937 9.2067 112.9691 61.2197 71.5712 172.4425 66 A 5.2438 8.6701 126.3343 51.0717 23.1520 174.8908 67 T 4.9722 9.2763 118.5117 61.9261 70.9796 173.3671 68 L 5.1253 9.1346 128.9228 53.4247 44.5822 174.8711 69 L 5.0898 9.2140 126.4200 53.2428 44.2675 175.2655 70 I 4.6679 8.6518 126.0412 59.6187 38.8056 175.5870 71 V 4.3783 8.4334 127.3401 60.0073 33.8942 173.2291 72 P 4.6140 0.0000 0.0000 63.3072 32.3990 175.0098 73 N 4.9247 8.4636 117.2241 53.2853 41.7680 174.7323 74 L 4.4789 8.7855 123.7749 55.4637 43.4127 177.0161 75 T 4.1418 7.9669 109.0215 61.1315 70.3264 173.7696 76 R 3.7708 9.1078 117.2253 57.4641 27.2378 176.5553 77 A 3.8263 8.3245 110.8911 53.2486 16.3603 177.4994 78 A 4.5107 7.5326 117.4142 53.9750 16.8055 178.7926 79 R 4.5089 7.6266 117.8635 56.6944 31.2552 175.5106 80 P 4.8450 0.0000 0.0000 62.9033 33.4621 174.0107 81 Y 5.1067 7.8930 117.1169 55.2341 41.8250 173.7829 82 A 5.1598 8.5909 119.6022 50.3210 23.1661 175.0836 83 F 4.9789 9.2367 117.6846 55.7247 42.8725 174.4984 84 I 5.1960 8.5049 121.2917 59.8454 39.7474 174.7394 85 E 4.6424 9.0893 124.7885 54.2644 34.2996 174.6333 86 N 4.0343 8.0409 116.2726 54.4264 36.3632 175.0957 87 V 4.6524 7.5243 116.4552 61.8896 33.1195 176.2799 88 V 4.5938 8.5992 126.3282 60.8528 35.0051 173.1676 89 T 4.9932 8.2056 118.5625 61.3079 71.7878 173.8721 90 L 3.9214 8.5773 125.4154 55.2393 42.5581 177.7942 91 E 3.8123 9.2363 124.0562 59.4751 29.5513 178.9145 92 A 4.1611 8.0054 118.6736 54.1519 18.2481 177.8023 93 R 4.6343 7.9209 113.7984 55.7876 31.1146 176.5642 94 R 4.1933 7.7363 118.0064 57.4105 30.4783 177.0913 95 G 3.9447 8.9982 108.8612 45.8598 0.0000 174.0525 96 R 4.2318 7.5455 116.3887 55.5185 30.7200 177.2962 97 G 3.9695 8.1159 107.1524 45.7548 0.0000 175.0900 98 Y 4.3660 7.9439 118.1430 61.1025 37.9071 178.6032 99 G 3.7119 8.2506 106.0420 47.8767 0.0000 175.4400 100 R 4.0034 8.3425 121.0594 59.4605 30.0630 178.5304 101 T 3.8971 8.3989 116.0980 66.6139 68.4945 177.0717 102 V 3.6290 8.0937 121.1591 64.7225 31.3898 178.6001 103 V 3.7335 8.1416 119.0167 65.9371 31.4193 178.2412 104 R 3.8153 8.3423 118.1370 59.3851 29.7611 178.5351 105 H 3.9214 8.4487 118.0098 59.0144 29.8111 177.1292 106 A 3.7235 7.8246 122.4387 55.1523 18.1657 179.5286 107 I 3.2649 7.7582 118.3908 64.6229 37.0661 178.5931 108 E 3.9130 8.1269 119.3283 59.4974 29.2390 179.5614 109 T 3.7962 7.9461 115.7993 66.4852 68.6291 176.4590 110 A 4.0053 7.9748 122.5492 55.4023 18.4709 179.7763 111 F 4.6988 8.3988 116.7166 60.7327 38.7033 178.1819 112 G 3.7430 8.4479 104.6746 47.1463 0.0000 174.5121 113 A 4.4759 7.5136 120.4960 51.4025 18.7603 176.7136 114 N 4.2913 8.1066 115.3178 55.1558 38.0161 174.1497 115 C 5.0618 8.1936 113.2916 59.3256 28.5342 173.7073 116 Y 4.4767 8.6107 121.4600 58.2084 38.8033 175.4087 117 K 4.6743 7.1435 118.4418 55.5567 35.3144 174.6767 118 V 4.9800 8.1756 118.4901 59.6351 34.8231 174.5175 *120 L 4.1595 8.0731 121.9851 55.3898 41.1940 175.9564 121 L 4.6197 8.1497 119.2631 53.2755 43.9825 175.6845 122 T 4.6794 8.0036 115.8790 59.6383 70.9320 173.2120 123 G 3.7943 8.5044 112.4298 45.3728 0.0000 173.6843 124 R 4.1342 8.2357 117.7378 56.4854 30.5938 175.3829 125 H 4.0023 8.5609 113.0606 57.5933 26.2539 176.1240 126 D 4.7312 7.3276 118.8751 51.3003 42.3754 172.5583 127 P 4.2042 0.0000 0.0000 65.5483 31.4565 178.2172 128 A 3.9813 7.9569 120.0561 54.8999 18.4390 179.6220 129 V 3.5176 7.9964 116.7772 66.5499 31.5754 178.0231 130 H 4.4528 8.6137 115.9147 58.8219 28.5115 177.6828 131 A 4.0477 8.2934 122.7676 54.8836 18.0473 179.3757 132 F 3.9702 8.3343 119.1792 61.8475 39.4788 177.0509 133 Y 4.3830 8.0801 116.2628 61.0753 37.6121 178.1394 134 E 4.4243 8.9011 122.0678 58.8051 29.5305 179.0254 135 S 4.1471 7.9640 113.0687 60.8789 63.1651 175.3135 136 C 4.2825 7.3582 118.4445 59.7561 28.2700 174.1861 137 G 3.9685 7.9124 109.0578 44.9659 0.0000 174.0796 138 F 4.4057 8.2828 119.1635 56.9781 39.6928 174.5442 139 V 4.4414 8.2910 123.1857 61.2964 33.4720 176.3357 140 Q 4.3665 8.4620 129.2471 54.8772 27.2600 174.3626 141 N 5.1197 8.0728 114.2701 51.4968 38.7570 174.9751 142 K 4.6430 7.9706 116.6892 55.3297 35.2930 175.6439 143 T 4.2821 8.5889 119.8642 62.4506 69.5467 174.4330 144 G 4.0920 8.2466 115.1283 43.9981 0.0000 172.8954 145 F 4.8698 8.4986 120.8834 55.6778 42.7239 174.1307 146 Q 4.6471 8.3684 122.5451 54.8299 31.9540 173.5725 147 I 4.6898 8.1087 122.0495 59.2039 41.1709 174.5430 148 R 4.7911 8.4480 124.3520 54.3027 33.6289 175.6147 149 Q 4.1763 8.4142 116.5241 56.4563 28.7631 175.2683 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 I 8.01 4.41 1.97 0.00 0.00 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 1.46 1.16 1.42 0.00 0.00 7 S 8.50 4.73 0.00 3.89 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 8 L 8.25 5.34 0.00 1.36 1.38 0.78 0.81 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 9 R 8.87 4.89 0.00 1.92 2.03 0.00 2.81 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 10 A 8.67 4.53 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 11 A 9.12 4.39 1.35 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 12 G 9.93 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 13 P 0.00 4.43 0.00 2.20 2.18 0.00 3.61 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 2.11 2.13 0.00 14 G 8.08 3.44 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 0.00 15 D 8.48 4.56 0.00 2.90 2.66 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 0.00 0.00 0.00 16 L 7.21 3.22 0.00 1.26 1.54 0.34 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.25 0.00 2.13 2.03 0.00 3.70 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 2.07 2.10 0.00 18 G 7.85 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.00 3.56 0.00 1.47 1.23 0.74 0.19 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 20 L 8.00 4.00 0.00 1.77 1.68 0.95 0.70 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 21 E 8.23 3.85 0.00 1.96 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 2.24 2.31 0.00 22 L 7.69 3.89 0.00 1.52 1.48 0.74 0.62 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 23 Y 8.05 4.48 0.00 2.93 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 24 Q 8.43 4.02 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 25 V 7.54 3.60 2.23 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 0.84 0.00 0.00 0.98 0.00 0.00 26 L 7.95 4.30 0.00 1.76 1.97 1.00 0.94 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 27 N 8.12 4.95 0.00 2.85 2.68 0.00 0.00 6.82 7.51 0.00 0.00 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 P 0.00 4.52 0.00 2.17 2.19 0.00 3.42 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 29 S 7.93 4.33 0.00 3.88 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 30 D 7.86 4.47 0.00 2.85 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 31 P 0.00 4.32 0.00 2.17 2.05 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 32 E 8.58 4.13 0.00 1.92 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 2.29 2.39 0.00 33 L 8.29 5.20 0.00 1.61 1.51 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.59 4.15 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 35 T 8.33 3.52 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 36 Q 6.88 4.60 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 5.68 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 37 E 8.95 3.82 0.00 2.27 1.98 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 2.28 2.43 0.00 38 A 8.99 4.16 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 39 G 8.38 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 40 A 8.03 4.01 1.34 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 41 V 7.69 3.56 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 0.91 0.00 0.00 0.95 0.00 0.00 42 F 7.96 4.57 0.00 3.06 3.26 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 43 A 8.39 3.95 1.36 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 0.00 0.00 44 A 7.73 3.76 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 *46 L 7.88 4.02 0.00 1.52 1.56 0.12 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.63 4.04 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 48 Q 7.94 4.01 0.00 2.26 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 49 P 0.00 4.20 0.00 2.06 1.96 0.00 3.76 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 2.01 2.07 0.00 50 G 8.92 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 51 L 7.29 5.05 0.00 1.62 1.73 0.93 0.87 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 52 T 8.83 4.44 3.63 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 0.26 0.00 0.00 53 I 8.18 4.53 1.94 0.00 0.00 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 1.45 0.89 1.02 0.00 0.00 54 F 9.07 5.18 0.00 3.23 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 55 V 9.17 5.01 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 0.80 0.00 0.00 0.96 0.00 0.00 56 A 8.77 5.24 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 57 T 8.91 4.97 4.11 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 0.00 0.00 1.19 0.00 0.00 58 E 8.85 4.64 0.00 1.84 1.74 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 2.22 2.38 0.00 59 N 9.97 4.01 0.00 2.84 2.82 0.00 0.00 7.41 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 60 G 8.37 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 0.00 0.00 0.00 0.00 61 K 7.74 4.18 0.00 1.79 1.77 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.34 7.81 62 P 0.00 4.64 0.00 1.96 1.90 0.00 3.60 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 1.94 2.05 0.00 63 V 8.58 4.31 1.72 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 0.53 0.00 0.00 0.01 0.00 0.00 64 A 7.51 4.99 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 65 T 9.21 5.59 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 1.28 0.00 0.00 66 A 8.67 5.24 1.40 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 0.00 0.00 67 T 9.28 4.97 4.44 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 1.31 0.00 0.00 68 L 9.13 5.13 0.00 2.03 1.70 1.04 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.21 5.09 0.00 1.78 1.65 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.65 4.67 1.86 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 1.12 0.57 0.88 0.00 0.00 71 V 8.43 4.38 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 0.00 0.00 0.86 0.00 0.00 0.94 0.00 0.00 72 P 0.00 4.61 0.00 2.11 2.01 0.00 3.78 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 73 N 8.46 4.92 0.00 2.97 2.98 0.00 0.00 6.92 6.66 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 74 L 8.79 4.48 0.00 1.71 1.72 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.97 4.14 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 1.25 0.00 0.00 76 R 9.11 3.77 0.00 1.41 1.41 0.00 3.08 0.00 0.00 2.97 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.21 0.00 77 A 8.32 3.83 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 78 A 7.53 4.51 1.40 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 0.00 0.00 79 R 7.63 4.51 0.00 1.90 2.10 0.00 3.17 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 80 P 0.00 4.84 0.00 2.06 2.17 0.00 3.88 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 81 Y 7.89 5.11 0.00 2.52 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 82 A 8.59 5.16 1.22 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 83 F 9.24 4.98 0.00 2.98 2.91 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 84 I 8.50 5.20 1.96 0.00 0.00 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 1.49 0.73 1.07 0.00 0.00 85 E 9.09 4.64 0.00 1.84 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 2.21 2.36 0.00 86 N 8.04 4.03 0.00 2.90 2.89 0.00 0.00 6.86 7.15 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 87 V 7.52 4.65 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 0.93 0.00 0.00 1.16 0.00 0.00 88 V 8.60 4.59 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 0.72 0.00 0.00 0.93 0.00 0.00 89 T 8.21 4.99 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 1.28 0.00 0.00 90 L 8.58 3.92 0.00 1.54 1.56 0.88 0.72 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 91 E 9.24 3.81 0.00 1.94 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 2.37 2.27 0.00 92 A 8.01 4.16 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 93 R 7.92 4.63 0.00 1.98 2.18 0.00 3.58 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 94 R 7.74 4.19 0.00 1.83 1.85 0.00 3.16 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 95 G 9.00 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 96 R 7.55 4.23 0.00 1.59 1.61 0.00 3.22 0.00 0.00 3.48 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 97 G 8.12 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 98 Y 7.94 4.37 0.00 3.05 2.93 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 0.00 0.00 0.00 99 G 8.25 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 0.00 100 R 8.34 4.00 0.00 1.99 2.14 0.00 3.15 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 101 T 8.40 3.90 4.50 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 1.24 0.00 0.00 102 V 8.09 3.63 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 1.02 0.00 0.00 1.06 0.00 0.00 103 V 8.14 3.73 2.37 0.00 0.00 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 0.00 0.00 1.36 0.00 0.00 104 R 8.34 3.82 0.00 1.87 1.91 0.00 3.29 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 105 H 8.45 3.92 0.00 3.20 3.23 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.82 3.72 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 3.26 1.73 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.76 0.12 0.00 0.00 108 E 8.13 3.91 0.00 2.00 1.94 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 2.32 2.39 0.00 109 T 7.95 3.80 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 110 A 7.97 4.01 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 0.00 111 F 8.40 4.70 0.00 2.99 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 0.00 112 G 8.45 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 0.00 113 A 7.51 4.48 1.36 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 0.00 0.00 114 N 8.11 4.29 0.00 2.90 2.97 0.00 0.00 7.10 7.06 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 0.00 115 C 8.19 5.06 0.00 3.30 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 0.00 116 Y 8.61 4.48 0.00 3.06 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 0.00 117 K 7.14 4.67 0.00 1.79 1.68 0.00 1.21 0.00 0.00 1.54 0.00 0.00 2.31 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.30 1.03 7.81 118 V 8.18 4.98 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 1.08 0.00 0.00 0.58 0.00 0.00 *120 L 8.07 4.16 0.00 1.67 1.48 -0.07 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.15 4.62 0.00 1.55 1.54 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.00 4.68 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 1.27 0.00 0.00 123 G 8.50 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 0.00 124 R 8.24 4.13 0.00 1.50 1.79 0.00 3.05 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 125 H 8.56 4.00 0.00 3.30 3.38 0.00 5.66 0.00 0.00 0.00 0.00 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.33 4.73 0.00 2.63 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 0.00 0.00 0.00 0.00 127 P 0.00 4.20 0.00 2.30 2.29 0.00 3.73 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 128 A 7.96 3.98 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 0.00 129 V 8.00 3.52 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 1.21 0.00 0.00 0.94 0.00 0.00 130 H 8.61 4.45 0.00 3.27 3.40 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 A 8.29 4.05 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 0.00 132 F 8.33 3.97 0.00 3.11 3.01 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 0.00 133 Y 8.08 4.38 0.00 3.17 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 0.00 134 E 8.90 4.42 0.00 2.11 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 0.00 2.34 2.24 0.00 135 S 7.96 4.15 0.00 3.99 4.04 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 0.00 136 C 7.36 4.28 0.00 3.23 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 0.00 137 G 7.91 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 0.00 138 F 8.28 4.41 0.00 3.29 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 0.00 139 V 8.29 4.44 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 0.83 0.00 0.00 0.97 0.00 0.00 140 Q 8.46 4.37 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.15 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 141 N 8.07 5.12 0.00 2.81 2.83 0.00 0.00 6.13 7.13 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 0.00 142 K 7.97 4.64 0.00 1.72 1.74 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.37 7.81 143 T 8.59 4.28 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 0.99 0.00 0.00 144 G 8.25 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 F 8.50 4.87 0.00 2.97 2.92 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 0.00 146 Q 8.37 4.65 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 147 I 8.11 4.69 1.89 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 1.42 1.07 0.91 0.00 0.00 148 R 8.45 4.79 0.00 1.78 1.76 0.00 3.19 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 149 Q 8.41 4.18 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.65 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.