NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3537 8.3044 118.2023 55.5468 32.8714 174.5786 2 D 4.6288 7.7568 114.3679 53.1289 39.4666 175.9397 3 F 5.0485 8.8189 120.7061 57.3934 41.1511 175.3647 4 R 4.9097 9.1985 119.4897 54.6906 34.7176 174.1503 5 I 4.9604 8.4679 115.2907 59.3179 40.7234 174.5061 6 G 4.3849 8.9397 110.2550 44.6950 0.0000 171.2485 7 Q 5.1680 8.5708 117.5345 54.3760 32.5829 174.0392 8 G 4.5189 9.1624 106.9979 45.0947 0.0000 170.7826 9 Y 5.4265 8.4563 121.7536 56.1580 42.4262 173.4685 10 D 4.5289 8.1390 123.0445 53.3775 45.3420 174.2653 11 V 4.8766 7.7304 121.5619 60.7136 34.5711 173.5837 12 H 4.9896 8.8919 118.8867 54.0367 33.4187 173.0433 13 Q 4.6102 8.7357 119.8781 55.9337 30.2537 174.7106 14 L 5.1225 8.4447 124.3691 53.6399 43.8473 175.9649 15 V 4.6522 9.0854 118.8739 58.9325 36.6089 172.9705 16 P 4.5710 0.0000 0.0000 64.1592 31.5103 177.0524 17 G 4.0346 9.4135 110.1566 44.9310 0.0000 173.6287 18 R 4.8676 7.5481 118.0986 53.3671 33.7821 173.4612 19 P 4.6859 0.0000 0.0000 62.7558 33.4389 174.9056 20 L 4.6732 8.4546 123.2071 53.9456 43.0345 175.3145 21 I 4.9704 8.2645 127.6430 59.5172 39.5349 174.9171 22 I 4.8072 8.4393 126.4418 60.4826 40.2111 175.9142 23 G 3.9998 9.8975 113.4606 46.6735 0.0000 175.0018 24 G 3.8850 9.0543 106.3646 45.1837 0.0000 174.3089 25 V 4.2008 7.5222 120.4038 61.2685 32.8553 174.5330 26 T 4.7536 8.3571 123.9536 62.9888 69.3373 174.0206 27 I 4.5241 8.5296 127.9825 58.3556 39.7791 173.7549 28 P 4.4431 0.0000 0.0000 63.2789 31.7970 175.1600 29 Y 4.8566 8.2589 122.4565 56.5568 41.3800 174.6511 30 E 3.8479 7.7452 124.5090 58.6138 29.7176 176.6041 31 R 4.8132 6.6840 115.5032 54.8195 34.9984 173.8704 32 G 4.6421 8.9725 106.5059 45.5537 0.0000 171.8553 33 L 4.9951 7.8759 120.1784 54.0605 42.5008 177.0197 34 L 4.4048 8.7061 124.7372 54.0511 42.6273 176.5313 35 G 4.0120 8.2691 113.6709 46.0796 0.0000 173.5117 *36 H 4.3751 9.2264 117.8799 58.1694 29.1304 173.1329 37 S 4.9385 7.3542 113.1411 57.7672 60.8017 177.9090 38 D 4.4617 8.9825 120.4028 54.6772 39.3072 175.7732 39 A 3.4000 7.8504 121.3328 53.4040 16.1307 178.3581 40 D 4.7272 8.0978 122.0760 54.3992 40.3066 175.8522 41 V 4.2249 7.9243 128.3651 63.7361 31.5088 178.0547 42 L 3.9006 7.7979 120.4006 57.9991 42.0739 178.6809 43 L 4.0066 8.0909 118.9612 57.9695 41.5102 179.1044 44 H 4.2391 8.2999 115.9247 58.9913 28.7470 177.4777 45 A 4.0485 7.9000 122.0699 55.4621 18.2144 179.8016 46 I 3.6899 7.8876 118.1124 64.7171 37.1713 178.7037 47 T 3.7388 8.2307 116.9357 66.8217 68.2401 176.3179 48 D 4.5283 8.3876 120.4543 57.3996 40.8213 178.7234 49 A 4.2338 8.0356 122.5933 54.4794 18.4306 179.8009 50 L 3.8203 7.9354 117.4394 58.0841 41.7068 179.6188 51 F 4.5885 8.0036 117.8093 60.6652 38.7757 178.0896 52 G 3.5986 8.5317 105.3341 47.7073 0.0000 175.6820 53 A 4.1511 8.2190 123.4715 54.0190 18.4907 178.7679 54 A 3.3228 7.6076 115.5486 51.1604 19.4766 176.8237 55 A 3.7315 7.5134 119.5031 53.4964 16.6394 177.5907 56 L 4.6874 8.4587 115.8239 55.2289 43.4178 178.7011 57 G 3.9659 8.6493 110.7272 46.3532 0.0000 175.8494 58 D 4.8948 8.0237 125.8262 50.5183 43.6871 175.2334 59 I 3.9538 9.1995 119.5532 64.4071 37.6260 178.0279 60 G 3.6705 8.1009 105.0283 47.6124 0.0000 175.4114 61 R 4.0343 7.7293 119.1193 59.0797 30.1586 178.3478 62 H 3.9298 7.4430 114.9555 57.3825 28.9122 174.7044 63 F 5.1608 7.6840 116.8577 55.5733 42.3311 174.8629 *72 G 3.8387 8.4831 108.1391 45.0941 0.0000 173.2466 73 A 3.9156 7.9843 122.1864 52.9405 18.9770 177.2843 74 D 4.7870 8.2671 120.9173 52.3451 42.5949 178.0939 75 S 4.1866 9.2675 116.9821 61.6213 62.6106 177.4424 76 R 3.8788 8.1040 120.7658 59.0320 29.7397 178.7800 77 A 3.9482 8.0743 120.1813 55.0047 18.3625 179.5423 78 L 3.3520 7.6727 117.3610 57.5641 41.6033 179.3552 79 L 3.9193 8.0636 120.4526 58.2629 41.9927 179.2424 80 R 3.8971 8.2584 118.2639 59.3170 30.0170 178.7156 81 E 4.0260 8.4029 119.1904 59.1843 29.5462 178.1432 82 C 3.9804 8.6990 119.0998 62.6566 31.5351 175.4727 83 A 3.9276 8.0777 122.1493 55.2398 17.9155 179.5402 84 S 4.0920 8.1729 111.5810 61.6260 62.5055 176.6479 85 R 4.0339 8.2879 120.8373 59.1917 29.9571 179.1666 86 V 3.7330 8.2118 118.1096 66.0626 31.5522 177.8594 87 A 4.3835 8.4082 122.2093 54.9189 18.0082 179.6308 88 Q 4.0598 8.0998 115.0324 58.4728 28.9307 177.9322 89 A 4.2883 8.0423 120.2490 52.7765 18.7225 178.0137 90 G 3.8012 7.9981 106.4548 44.6500 0.0000 172.8109 91 F 5.4261 8.1898 117.7499 55.4461 41.8608 174.4212 92 A 4.8517 9.0667 124.5500 50.2855 21.6017 175.8062 93 I 4.2477 8.3501 122.2947 61.3055 37.6908 175.8528 94 R 4.5493 9.0010 126.6427 57.9194 31.3820 176.1967 95 N 4.8922 7.5768 113.1791 52.2167 40.6433 173.4005 96 V 4.9401 8.6881 119.2724 61.2840 34.9945 173.7066 97 D 5.4911 9.2576 126.3593 51.7800 44.9909 174.1172 98 S 5.1299 8.2038 115.9021 58.0915 66.6881 173.1093 99 T 4.9525 8.9091 116.5058 62.1516 72.8761 173.0388 100 I 4.6890 8.9167 127.3022 59.7682 39.7795 174.6816 101 I 4.8596 8.8587 128.1880 59.6900 38.8604 174.7148 102 A 4.8088 8.7427 129.2394 50.2970 21.8293 176.8347 103 Q 3.9171 9.0721 124.0057 58.9068 29.5969 175.7396 104 A 4.3238 7.1856 116.8674 50.5079 21.6436 173.9095 105 P 4.3622 0.0000 0.0000 61.8040 33.0145 176.4126 106 K 4.0922 8.3534 120.0584 54.9239 31.8376 172.9739 107 L 4.5021 8.4380 123.2944 54.6081 43.1864 178.4133 108 A 3.9715 8.2744 121.0748 54.9025 17.8698 177.4032 109 P 4.3400 0.0000 0.0000 64.8596 31.9285 177.0545 110 H 4.7723 8.1455 115.3944 55.7494 29.3073 176.4437 111 I 3.7190 7.4794 122.9855 64.6087 36.9354 177.9662 112 D 4.3369 8.0913 118.9812 57.0843 40.6479 178.4973 113 A 3.9811 7.9429 120.9345 55.4005 18.4412 179.4440 114 M 4.2500 7.9820 118.3996 58.1561 31.9937 179.0603 115 R 3.9134 8.1449 118.0138 59.3561 30.2368 179.0046 116 A 3.9745 8.2209 120.4591 55.1162 18.3809 179.4411 117 N 4.2457 8.2792 114.9750 56.5612 38.6744 177.7278 118 I 3.6581 8.1835 121.3018 64.2665 37.1125 178.3567 119 A 3.9581 8.2720 121.5707 55.0387 18.0894 179.2797 120 A 3.9321 7.9186 119.2822 55.7971 18.2376 179.7494 121 D 4.3463 7.9063 115.6218 56.7688 40.9911 178.0255 122 L 4.3114 7.9177 116.8304 53.4593 42.7113 175.6560 123 D 4.3593 7.5885 117.7098 55.5069 40.0656 172.9566 124 L 4.8205 7.8609 116.8211 51.8441 44.7093 175.5300 125 P 4.3545 0.0000 0.0000 62.5571 32.2637 177.3727 126 L 3.9309 8.6291 123.4227 58.2849 42.1089 178.1992 127 D 4.6456 8.0858 114.4713 54.1893 39.3615 176.2983 128 R 4.6273 8.3117 118.0059 56.0638 31.7324 175.1750 129 V 4.8024 7.7893 118.9922 61.0852 33.7224 174.3815 130 N 5.1083 9.1035 125.4693 51.8361 42.6799 172.9491 131 V 4.8718 8.3163 123.8490 59.9487 34.5185 174.4900 132 K 4.8791 8.9343 125.7338 54.5453 36.1088 174.8497 133 A 5.2770 8.4080 122.2400 50.4665 22.4020 175.6152 134 K 4.7299 8.9506 118.8096 55.1085 37.1787 176.4558 135 T 4.6615 8.3618 113.5326 59.9419 71.1007 173.6774 136 N 4.7952 8.7985 117.0064 53.0209 38.9744 174.1618 137 E 3.8694 8.7604 113.1339 56.8844 27.7037 175.2015 138 K 4.1278 8.2958 111.5924 56.6596 30.0027 175.3027 139 L 4.4234 8.0026 119.1627 54.0823 43.3130 178.1259 140 G 4.0432 8.5372 111.8194 44.9255 0.0000 173.4256 141 Y 4.3529 8.0596 115.9007 60.1501 37.5871 178.5240 142 L 4.1220 7.1586 120.4837 57.6353 41.7568 179.4645 143 G 3.6517 8.0384 105.2810 46.9900 0.0000 174.8955 144 R 4.5339 7.8110 118.1316 55.4539 30.4103 176.6682 145 G 3.9427 7.9578 106.8502 46.7130 0.0000 174.7456 146 E 4.3239 8.7897 120.3753 57.0820 30.0572 175.9069 147 G 4.6086 7.5054 103.9492 45.6951 0.0000 172.4830 148 I 4.9852 8.5908 119.6788 59.4125 41.2562 174.6901 149 E 5.0608 8.9854 126.5996 54.4524 32.6816 174.3751 150 A 5.2824 8.9529 125.6134 50.3059 23.0697 174.9697 151 Q 5.2676 9.1081 118.8167 54.1682 32.6565 174.6478 152 A 5.1989 9.1211 123.1580 50.3042 23.3204 174.7433 153 A 5.1971 9.1854 121.5058 50.0681 22.6586 175.1651 154 A 5.0753 9.0535 122.6028 49.9772 22.9988 174.5788 155 L 5.1761 8.7874 123.2602 53.4050 44.8645 175.7782 156 V 5.2087 8.8212 118.3967 59.5141 36.4112 174.6809 157 V 4.8542 8.9056 122.9592 60.6266 34.7089 175.6647 158 R 4.3196 8.9668 125.3658 56.6242 29.6867 174.4709 159 E 4.1190 8.6572 124.2370 55.5174 29.6033 176.3415 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 8.30 4.35 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.30 0.00 2 D 7.76 4.63 0.00 2.85 2.51 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 0.00 0.00 0.00 0.00 3 F 8.82 5.05 0.00 3.02 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 4 R 9.20 4.91 0.00 1.57 1.70 0.00 3.29 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 5 I 8.47 4.96 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 1.28 0.93 0.92 0.00 0.00 6 G 8.94 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 7 Q 8.57 5.17 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 8 G 9.16 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.46 5.43 0.00 2.92 2.79 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 10 D 8.14 4.53 0.00 2.77 2.47 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 11 V 7.73 4.88 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 0.75 0.00 0.00 1.04 0.00 0.00 12 H 8.89 4.99 0.00 3.07 3.29 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.74 4.61 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 14 L 8.44 5.12 0.00 1.67 1.62 1.03 0.96 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 15 V 9.09 4.65 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 0.62 0.00 0.00 0.94 0.00 0.00 16 P 0.00 4.57 0.00 1.91 1.95 0.00 3.63 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 2.00 2.06 0.00 17 G 9.41 4.03 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 0.00 0.00 0.00 18 R 7.55 4.87 0.00 1.70 1.78 0.00 3.29 0.00 0.00 3.39 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 19 P 0.00 4.69 0.00 2.11 2.17 0.00 3.67 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 2.06 1.96 0.00 20 L 8.45 4.67 0.00 2.09 1.84 0.92 0.81 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 21 I 8.26 4.97 1.83 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 1.06 0.91 0.00 0.00 22 I 8.44 4.81 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.78 0.87 0.00 0.00 23 G 9.90 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 24 G 9.05 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 25 V 7.52 4.20 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 1.05 0.00 0.00 0.99 0.00 0.00 26 T 8.36 4.75 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 27 I 8.53 4.52 1.78 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.61 0.77 0.00 0.00 28 P 0.00 4.44 0.00 2.12 2.11 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 29 Y 8.26 4.86 0.00 2.92 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 30 E 7.75 3.85 0.00 1.45 1.77 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 2.15 2.23 0.00 31 R 6.68 4.81 0.00 1.78 1.85 0.00 3.17 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.31 0.00 32 G 8.97 4.64 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 33 L 7.88 5.00 0.00 1.47 1.58 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.71 4.40 0.00 1.54 1.63 0.93 1.04 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 35 G 8.27 4.01 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 0.00 0.00 0.00 *36 H 9.23 4.38 0.00 2.94 2.99 0.00 7.19 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.35 4.94 0.00 3.61 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 38 D 8.98 4.46 0.00 2.72 2.79 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 39 A 7.85 3.40 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 40 D 8.10 4.73 0.00 2.78 2.44 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 41 V 7.92 4.22 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 1.06 0.00 0.00 1.02 0.00 0.00 42 L 7.80 3.90 0.00 1.75 1.80 0.91 0.65 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 43 L 8.09 4.01 0.00 1.72 1.70 0.89 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.30 4.24 0.00 3.49 3.39 0.00 5.65 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 45 A 7.90 4.05 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 46 I 7.89 3.69 1.86 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 1.51 0.98 0.88 0.00 0.00 47 T 8.23 3.74 4.48 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 1.29 0.00 0.00 48 D 8.39 4.53 0.00 2.98 2.80 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 49 A 8.04 4.23 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 50 L 7.94 3.82 0.00 1.60 1.52 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.00 4.59 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 52 G 8.53 3.60 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 0.00 0.00 0.00 53 A 8.22 4.15 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 54 A 7.61 3.32 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 55 A 7.51 3.73 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 56 L 8.46 4.69 0.00 1.74 1.69 1.16 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.65 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 58 D 8.02 4.89 0.00 3.13 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 59 I 9.20 3.95 2.17 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 1.01 0.00 0.00 60 G 8.10 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 0.00 0.00 0.00 61 R 7.73 4.03 0.00 1.75 1.79 0.00 3.10 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 62 H 7.44 3.93 0.00 1.96 1.94 0.00 5.59 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.68 5.16 0.00 3.07 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 *72 G 8.48 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.98 3.92 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 74 D 8.27 4.79 0.00 3.08 2.77 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 75 S 9.27 4.19 0.00 3.88 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 76 R 8.10 3.88 0.00 2.02 2.04 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 77 A 8.07 3.95 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 78 L 7.67 3.35 0.00 1.76 1.36 0.81 -0.25 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 79 L 8.06 3.92 0.00 1.85 1.82 0.87 1.21 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 80 R 8.26 3.90 0.00 2.00 1.96 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 81 E 8.40 4.03 0.00 2.12 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 0.00 2.60 2.81 0.00 82 C 8.70 3.98 0.00 2.82 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 83 A 8.08 3.93 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 84 S 8.17 4.09 0.00 3.96 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 85 R 8.29 4.03 0.00 2.29 2.17 0.00 3.58 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 86 V 8.21 3.73 2.22 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 1.09 0.00 0.00 0.95 0.00 0.00 87 A 8.41 4.38 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 88 Q 8.10 4.06 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 89 A 8.04 4.29 1.61 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 90 G 8.00 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 0.00 0.00 0.00 91 F 8.19 5.43 0.00 3.15 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 92 A 9.07 4.85 1.24 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 93 I 8.35 4.25 1.89 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 1.34 0.62 0.94 0.00 0.00 94 R 9.00 4.55 0.00 1.91 2.05 0.00 3.47 0.00 0.00 3.36 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.02 0.00 95 N 7.58 4.89 0.00 2.85 2.87 0.00 0.00 5.59 7.68 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 96 V 8.69 4.94 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 0.92 0.00 0.00 0.92 0.00 0.00 97 D 9.26 5.49 0.00 2.78 2.43 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 98 S 8.20 5.13 0.00 3.96 3.90 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 99 T 8.91 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 1.21 0.00 0.00 100 I 8.92 4.69 1.85 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 1.20 0.66 0.93 0.00 0.00 101 I 8.86 4.86 1.86 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 1.16 0.74 0.92 0.00 0.00 102 A 8.74 4.81 1.18 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 0.00 0.00 0.00 103 Q 9.07 3.92 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 104 A 7.19 4.32 1.19 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 0.00 0.00 0.00 105 P 0.00 4.36 0.00 2.02 1.62 0.00 3.32 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.42 0.00 106 K 8.35 4.09 0.00 1.80 1.66 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.03 7.81 107 L 8.44 4.50 0.00 1.67 1.71 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.27 3.97 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 P 0.00 4.34 0.00 2.00 2.10 0.00 3.67 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 1.82 1.98 0.00 110 H 8.15 4.77 0.00 3.25 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.48 3.72 1.94 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 1.82 0.84 0.94 0.00 0.00 112 D 8.09 4.34 0.00 2.67 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 0.00 113 A 7.94 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 0.00 114 M 7.98 4.25 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.59 0.00 115 R 8.14 3.91 0.00 1.99 1.98 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 116 A 8.22 3.97 1.39 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 0.00 0.00 0.00 117 N 8.28 4.25 0.00 2.99 2.86 0.00 0.00 7.05 6.98 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 0.00 118 I 8.18 3.66 1.86 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 1.44 0.88 0.90 0.00 0.00 119 A 8.27 3.96 1.43 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 0.00 120 A 7.92 3.93 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.91 4.35 0.00 2.81 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 0.00 122 L 7.92 4.31 0.00 1.61 1.69 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.59 4.36 0.00 2.70 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 0.00 124 L 7.86 4.82 0.00 1.63 1.54 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.35 0.00 2.33 1.98 0.00 3.62 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 2.12 2.09 0.00 126 L 8.63 3.93 0.00 1.72 1.67 0.92 1.16 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 0.00 127 D 8.09 4.65 0.00 2.80 2.75 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 0.00 128 R 8.31 4.63 0.00 1.90 2.08 0.00 3.08 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 129 V 7.79 4.80 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 0.73 0.00 0.00 0.93 0.00 0.00 130 N 9.10 5.11 0.00 2.84 2.75 0.00 0.00 6.21 7.49 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 0.00 131 V 8.32 4.87 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 1.20 0.00 0.00 0.92 0.00 0.00 132 K 8.93 4.88 0.00 1.79 1.63 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.48 7.81 133 A 8.41 5.28 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 0.00 134 K 8.95 4.73 0.00 1.61 1.63 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.52 7.81 135 T 8.36 4.66 4.40 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 1.19 0.00 0.00 136 N 8.80 4.80 0.00 2.76 2.70 0.00 0.00 7.80 7.75 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 0.00 137 E 8.76 3.87 0.00 2.11 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 2.24 2.39 0.00 138 K 8.30 4.13 0.00 1.90 1.90 0.00 1.78 0.00 0.00 0.61 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.40 7.81 139 L 8.00 4.42 0.00 1.75 1.52 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.54 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 0.00 0.00 0.00 141 Y 8.06 4.35 0.00 3.33 3.28 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 0.00 142 L 7.16 4.12 0.00 1.53 1.68 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.04 3.65 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 0.00 0.00 0.00 144 R 7.81 4.53 0.00 1.88 2.01 0.00 3.27 0.00 0.00 3.25 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 145 G 7.96 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 0.00 146 E 8.79 4.32 0.00 2.30 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 0.00 2.34 2.32 0.00 147 G 7.51 4.61 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 0.00 148 I 8.59 4.99 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.21 0.93 0.00 0.00 149 E 8.99 5.06 0.00 2.09 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 2.20 0.00 150 A 8.95 5.28 1.18 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 0.00 0.00 0.00 151 Q 9.11 5.27 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 152 A 9.12 5.20 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 0.00 153 A 9.19 5.20 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 0.00 154 A 9.05 5.08 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 0.00 155 L 8.79 5.18 0.00 1.76 1.65 1.00 0.66 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 0.00 156 V 8.82 5.21 2.22 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 0.64 0.00 0.00 0.64 0.00 0.00 157 V 8.91 4.85 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 0.84 0.00 0.00 0.28 0.00 0.00 158 R 8.97 4.32 0.00 1.62 1.79 0.00 3.25 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 159 E 8.66 4.12 0.00 1.87 1.82 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 2.23 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.