NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7338 8.3716 117.5175 52.6912 40.0235 172.8117 3 L 3.8726 8.2711 121.3231 54.2541 42.2209 174.4949 4 P 4.4717 0.0000 0.0000 62.2182 33.0054 176.4663 5 T 4.0977 8.6570 113.2929 61.2361 70.7210 175.4955 6 A 3.9693 8.3938 122.1811 55.5358 18.3577 179.7762 7 Q 4.1069 8.0009 115.9649 59.1893 28.7944 178.8557 8 E 3.8912 7.9573 119.5144 59.1579 29.4528 179.4751 9 V 3.0749 8.0759 118.6840 65.9442 31.5475 178.0964 10 Q 4.0845 8.1331 117.9385 58.9265 28.5193 179.0875 11 G 3.6115 7.9229 106.6617 47.2814 0.0000 176.0759 12 L 3.9611 7.8275 121.2530 57.9516 41.4807 179.2607 13 M 4.1074 8.1721 118.4024 58.5532 32.0318 178.7179 14 A 3.9592 7.9827 120.7595 55.1651 18.4989 179.6661 15 R 3.9007 8.0204 117.5420 59.2913 30.0780 178.8349 16 S 4.0855 8.1982 114.2917 61.2468 62.8093 176.6882 17 I 3.5351 7.3984 123.4314 63.9805 36.7316 177.7848 18 E 3.9247 7.9561 119.3409 59.6762 29.2748 179.7065 19 L 3.9345 7.9415 118.5292 57.6399 41.4811 179.3390 20 V 3.5278 7.5489 117.1738 66.4187 31.4492 177.1663 21 D 4.4658 8.1616 116.1561 57.0640 41.1089 177.8441 22 V 4.1454 7.5588 110.6583 60.9901 32.1185 176.7775 23 G 3.8219 8.1446 106.8655 46.2575 0.0000 174.6158 24 D 4.5864 7.7899 120.6297 52.6350 39.9182 176.0918 25 I 3.6505 7.8802 126.1389 63.8612 37.5897 177.1307 26 E 3.9413 8.2965 118.7532 59.7106 29.0996 179.3888 27 A 4.0111 7.8938 118.6206 54.9808 18.6934 179.2920 28 I 3.6879 7.9715 118.7782 64.8214 37.2634 178.9405 29 V 3.8181 8.0149 118.7118 65.7544 31.1289 177.5641 30 Q 4.1582 7.8400 117.7794 58.6031 29.2050 177.3986 31 M 4.1737 8.2376 119.4691 56.8990 32.0368 175.6231 32 Y 4.6605 7.2711 116.3008 56.2182 39.6024 175.3675 33 A 4.3049 8.7763 126.5149 52.0408 19.3278 178.7344 34 D 4.5280 8.7747 119.1139 55.5753 39.6958 176.9842 35 D 5.2904 7.7982 118.8086 52.7005 39.8265 176.5916 36 A 4.5925 8.0439 120.4410 53.3832 20.1032 177.3565 37 T 4.8919 8.6712 108.9416 59.7963 72.1202 173.1422 38 V 4.7645 8.5329 123.6646 61.1069 34.9812 173.9772 39 E 4.7132 9.3474 126.8977 54.7571 32.3856 175.1111 40 N 5.0983 8.3561 124.6865 51.8455 41.1149 172.1524 41 P 4.5500 0.0000 0.0000 61.9216 33.0551 175.3682 42 F 3.8744 8.5999 124.2361 59.7922 38.8235 174.5230 43 G 3.4136 7.8729 114.8379 45.6212 0.0000 173.7268 44 Q 4.2340 7.2055 120.1087 53.6583 30.3153 173.3477 45 P 4.3121 0.0000 0.0000 61.7343 31.8842 174.9229 46 P 4.7202 0.0000 0.0000 62.7188 32.4596 175.2628 47 I 4.7051 8.3743 114.2474 59.5857 40.4625 174.1219 48 H 5.1389 9.2115 120.3261 55.3133 32.5035 174.2793 49 G 4.0459 9.2118 108.5243 46.0593 0.0000 174.7068 50 R 3.9057 8.6518 120.8602 59.0558 30.0379 179.1455 51 E 3.9244 8.1105 118.4053 59.6827 29.7486 178.9230 52 Q 4.0740 8.0094 117.3618 58.8513 28.7757 178.6286 53 I 3.7563 7.6634 120.5612 63.7306 37.0821 178.0755 54 A 4.1123 8.4078 121.9660 55.2282 18.2511 179.4820 55 A 3.9281 8.1264 119.1238 55.3803 18.4665 179.0557 56 F 3.7508 8.3036 119.0052 62.3087 39.3044 177.2156 57 Y 4.0358 8.3848 115.7830 61.0756 37.5003 178.9408 58 R 4.0668 8.1584 118.7902 59.0385 30.1989 178.5511 59 Q 4.1387 7.9775 118.8360 58.9521 29.2166 177.9428 60 G 3.3887 7.9564 106.0628 45.7145 0.0000 173.6570 61 L 4.4014 7.6513 121.2131 52.3904 43.1585 175.9400 *65 K 4.0091 8.4460 123.8524 56.1580 32.6185 174.7130 66 V 4.7074 8.2457 125.3597 61.2543 34.4263 174.5698 67 R 5.0437 8.7859 125.4562 54.6453 33.7622 174.5878 68 A 5.2679 9.1946 122.0868 51.0184 22.7042 175.6288 69 C 4.9404 9.0434 118.1130 57.5525 32.5201 174.1509 70 L 4.6014 8.7870 122.8893 55.4123 41.7835 177.1629 71 T 4.4606 8.3073 111.3954 60.8608 69.3584 173.6472 72 G 3.9434 7.2636 109.8226 44.7560 0.0000 171.1266 73 P 4.4761 0.0000 0.0000 62.1863 31.9819 175.9638 74 V 3.9459 8.0657 119.2539 62.8480 32.4810 175.1432 75 R 4.6793 9.1224 126.7859 54.7551 31.8310 175.2565 76 A 5.2016 8.5110 124.8123 50.2289 22.3712 175.4462 77 S 4.5527 8.5994 115.7832 57.3874 65.6104 173.7276 78 H 4.8266 8.7073 114.8602 55.7669 28.7514 175.1429 79 N 4.9354 8.1916 117.6443 52.5824 37.5829 175.5197 80 G 3.9714 8.6929 105.0760 46.7401 0.0000 172.9569 81 C 5.4736 7.5564 115.9201 58.2291 33.0053 172.8724 82 G 4.5902 8.8247 106.3306 46.3257 0.0000 171.7762 83 A 5.5077 9.1010 120.7947 50.6862 23.0371 175.3975 84 M 5.2375 9.1784 117.2124 53.1833 35.3149 172.1017 85 P 5.5953 0.0000 0.0000 61.8000 34.2500 174.0064 86 F 5.4862 8.5752 116.0030 56.2007 42.2343 172.4623 87 R 4.8879 9.1472 118.9147 54.4894 33.0948 173.8565 88 V 4.8680 8.6610 126.3532 61.4209 33.8163 173.9474 89 E 5.1035 9.1067 128.0145 55.1861 31.6409 174.6032 90 M 4.6976 8.8334 122.9483 54.8453 34.9635 175.1117 91 V 5.1134 8.4029 114.1634 62.0761 34.0576 175.0835 92 W 4.5902 9.6970 135.0000 56.9736 28.9799 177.2289 93 N 4.1712 10.6025 111.8468 55.1593 37.4764 175.8041 94 G 3.9883 8.0178 101.6538 46.3829 0.0000 172.9944 95 Q 4.4184 7.6612 118.5032 52.6861 29.6992 173.2383 96 P 4.9925 0.0000 0.0000 63.2291 32.5915 175.4525 97 C 4.9149 8.9593 116.9642 57.5294 33.5836 172.3329 98 A 5.1961 9.2978 120.7227 50.1170 22.5796 174.9176 99 L 4.9865 8.7510 121.2376 53.4931 45.6331 174.8427 100 D 5.0301 8.5707 126.4850 53.3002 41.9824 176.1735 101 V 4.7031 8.4331 122.8464 61.0591 35.7080 173.9843 102 I 5.1247 8.6709 125.0829 59.6221 40.9652 174.1303 103 D 5.6738 9.2787 125.3009 52.6511 43.9548 175.1356 104 V 4.4832 9.1818 123.3272 61.5385 33.8329 174.4154 105 M 5.2920 8.9948 126.3877 53.5146 36.3892 174.1986 106 R 5.1115 8.5258 120.3263 54.8244 32.8730 174.7880 107 F 5.3034 9.2974 124.4334 56.0790 41.7086 175.6703 108 D 4.8206 8.6456 121.6234 52.0285 41.4902 176.6100 109 E 4.2504 8.5722 115.0649 58.2317 29.8563 177.2211 110 H 4.7311 8.3472 115.8318 55.5995 29.2301 175.4991 111 G 3.9115 8.3464 107.6778 45.9040 0.0000 173.7538 112 R 4.7933 8.5391 118.5997 53.8855 32.4920 175.6332 113 I 3.3424 8.3667 121.8667 61.4379 37.3454 176.8877 114 Q 4.2332 9.0119 130.0703 58.8167 30.3726 175.8157 115 T 5.2999 7.5253 113.5328 62.2003 73.5339 172.7419 116 M 5.3508 9.1845 123.8801 53.9935 36.3079 173.8248 117 Q 5.1604 9.2981 123.5971 54.0196 32.9184 174.0607 118 A 5.4472 8.7871 125.2385 49.6886 21.7979 174.7552 119 Y 4.6687 9.4082 122.1905 57.4867 39.1161 175.1655 120 W 4.9309 8.2658 119.7625 56.9017 30.5800 173.8273 121 S 4.2751 8.5189 114.2052 57.7857 65.2991 174.7666 122 E 4.1610 8.7638 118.3768 59.3741 29.2606 179.5870 123 V 3.7953 7.4163 110.3513 63.5796 31.9161 176.5335 124 N 4.7990 8.5987 116.9611 52.8066 38.7338 173.4388 125 L 5.1372 7.6373 121.4074 53.6939 43.7468 175.9594 126 S 4.8937 8.9928 121.5236 56.4217 67.3921 174.5107 127 V 4.3427 8.3908 121.8298 61.5188 31.0396 175.9593 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 2 N 8.37 4.73 0.00 2.71 2.85 0.00 0.00 6.89 6.97 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 3 L 8.27 3.87 0.00 1.66 1.58 1.02 0.62 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 4 P 0.00 4.47 0.00 1.76 1.70 0.00 3.71 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 1.57 1.90 0.00 5 T 8.66 4.10 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 1.23 0.00 0.00 6 A 8.39 3.97 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 7 Q 8.00 4.11 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 8 E 7.96 3.89 0.00 2.15 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 2.25 2.24 0.00 9 V 8.08 3.07 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 1.07 0.00 0.00 0.69 0.00 0.00 10 Q 8.13 4.08 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 11 G 7.92 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 12 L 7.83 3.96 0.00 1.42 1.79 0.42 0.71 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 13 M 8.17 4.11 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.03 2.84 0.00 14 A 7.98 3.96 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 15 R 8.02 3.90 0.00 1.95 2.05 0.00 3.08 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 16 S 8.20 4.09 0.00 3.97 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 17 I 7.40 3.54 1.92 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.65 0.80 0.00 0.00 18 E 7.96 3.92 0.00 2.16 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 2.31 2.50 0.00 19 L 7.94 3.93 0.00 1.75 1.64 0.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.55 3.53 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 0.89 0.00 0.00 0.96 0.00 0.00 21 D 8.16 4.47 0.00 2.92 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 22 V 7.56 4.15 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 0.84 0.00 0.00 1.01 0.00 0.00 23 G 8.14 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 0.00 0.00 0.00 24 D 7.79 4.59 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.88 3.65 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 1.71 0.58 0.97 0.00 0.00 26 E 8.30 3.94 0.00 2.01 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 2.42 2.41 0.00 27 A 7.89 4.01 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 28 I 7.97 3.69 1.80 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.63 0.20 0.00 0.00 29 V 8.01 3.82 2.21 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 1.05 0.00 0.00 1.00 0.00 0.00 30 Q 7.84 4.16 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 31 M 8.24 4.17 0.00 1.90 2.21 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 2.59 2.55 0.00 32 Y 7.27 4.66 0.00 3.14 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 33 A 8.78 4.30 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 34 D 8.77 4.53 0.00 2.86 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 35 D 7.80 5.29 0.00 2.69 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 36 A 8.04 4.59 1.53 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 0.00 0.00 37 T 8.67 4.89 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 1.19 0.00 0.00 38 V 8.53 4.76 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 0.65 0.00 0.00 0.66 0.00 0.00 39 E 9.35 4.71 0.00 1.94 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 2.14 2.19 0.00 40 N 8.36 5.10 0.00 2.53 2.31 0.00 0.00 7.27 7.69 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 41 P 0.00 4.55 0.00 1.37 0.49 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.99 0.00 42 F 8.60 3.87 0.00 2.33 2.33 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 43 G 7.87 3.41 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 0.00 44 Q 7.21 4.23 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 45 P 0.00 4.31 0.00 2.03 1.92 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 46 P 0.00 4.72 0.00 1.85 1.94 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 47 I 8.37 4.71 1.91 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.53 0.87 0.00 0.00 48 H 9.21 5.14 0.00 2.97 3.20 0.00 5.84 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.21 4.05 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 0.00 50 R 8.65 3.91 0.00 1.90 2.03 0.00 3.18 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 51 E 8.11 3.92 0.00 2.01 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 2.39 2.36 0.00 52 Q 8.01 4.07 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 53 I 7.66 3.76 1.99 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.48 0.56 0.00 0.00 54 A 8.41 4.11 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 55 A 8.13 3.93 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 56 F 8.30 3.75 0.00 3.02 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 57 Y 8.38 4.04 0.00 3.18 3.05 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 58 R 8.16 4.07 0.00 1.94 2.00 0.00 3.18 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 59 Q 7.98 4.14 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 60 G 7.96 3.39 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 0.00 61 L 7.65 4.40 0.00 1.71 1.63 1.09 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 *65 K 8.45 4.01 0.00 1.75 1.79 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 66 V 8.25 4.71 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 0.95 0.00 0.00 0.96 0.00 0.00 67 R 8.79 5.04 0.00 1.81 1.85 0.00 3.18 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 68 A 9.19 5.27 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 69 C 9.04 4.94 0.00 2.91 2.82 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 70 L 8.79 4.60 0.00 1.67 1.79 0.93 0.92 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 71 T 8.31 4.46 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 1.28 0.00 0.00 72 G 7.26 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 73 P 0.00 4.48 0.00 2.19 2.08 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 1.99 1.95 0.00 74 V 8.07 3.95 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 0.94 0.00 0.00 75 R 9.12 4.68 0.00 1.98 1.82 0.00 3.27 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 76 A 8.51 5.20 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 77 S 8.60 4.55 0.00 3.87 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 78 H 8.71 4.83 0.00 3.18 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.19 4.94 0.00 2.81 2.87 0.00 0.00 6.99 6.59 0.00 0.00 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 G 8.69 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 81 C 7.56 5.47 0.00 2.87 2.82 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 82 G 8.82 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.10 5.51 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 84 M 9.18 5.24 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.58 0.00 85 P 0.00 5.60 0.00 2.17 2.23 0.00 3.80 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 2.15 1.98 0.00 86 F 8.58 5.49 0.00 3.22 3.15 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 87 R 9.15 4.89 0.00 1.87 1.81 0.00 3.08 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 88 V 8.66 4.87 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 1.04 0.00 0.00 1.03 0.00 0.00 89 E 9.11 5.10 0.00 1.95 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 2.25 2.24 0.00 90 M 8.83 4.70 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.66 0.00 91 V 8.40 5.11 2.12 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 0.82 0.00 0.00 0.95 0.00 0.00 92 W 9.70 4.59 0.00 3.20 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 N 10.60 4.17 0.00 2.63 2.81 0.00 0.00 6.89 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 94 G 8.02 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.66 4.42 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.36 7.01 0.00 0.00 0.00 0.00 0.00 2.12 2.34 0.00 96 P 0.00 4.99 0.00 2.08 1.99 0.00 3.62 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 2.11 2.10 0.00 97 C 8.96 4.91 0.00 3.17 3.11 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 0.00 98 A 9.30 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 99 L 8.75 4.99 0.00 1.49 1.21 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.57 5.03 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.43 4.70 0.67 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 1.14 0.00 0.00 0.45 0.00 0.00 102 I 8.67 5.12 1.93 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 0.50 0.92 0.00 0.00 103 D 9.28 5.67 0.00 2.91 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 0.00 104 V 9.18 4.48 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 1.05 0.00 0.00 0.88 0.00 0.00 105 M 8.99 5.29 0.00 1.39 1.84 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.29 0.00 106 R 8.53 5.11 0.00 1.89 1.73 0.00 3.09 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 107 F 9.30 5.30 0.00 2.91 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 0.00 108 D 8.65 4.82 0.00 2.95 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 0.00 109 E 8.57 4.25 0.00 2.08 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 0.00 2.06 2.18 0.00 110 H 8.35 4.73 0.00 3.30 3.41 0.00 5.94 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.35 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 0.00 112 R 8.54 4.79 0.00 2.19 1.86 0.00 3.18 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 113 I 8.37 3.34 1.12 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.18 0.51 0.00 0.00 114 Q 9.01 4.23 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 115 T 7.53 5.30 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 1.23 0.00 0.00 116 M 9.18 5.35 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.87 0.00 117 Q 9.30 5.16 0.00 1.99 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.52 0.00 0.00 0.00 0.00 0.00 2.49 2.31 0.00 118 A 8.79 5.45 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.41 4.67 0.00 3.08 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 0.00 120 W 8.27 4.93 0.00 3.35 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 0.00 121 S 8.52 4.28 0.00 3.91 3.85 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 0.00 122 E 8.76 4.16 0.00 2.14 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 2.42 2.45 0.00 123 V 7.42 3.80 2.12 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 0.69 0.00 0.00 0.98 0.00 0.00 124 N 8.60 4.80 0.00 3.10 3.00 0.00 0.00 6.36 6.91 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 0.00 125 L 7.64 5.14 0.00 1.87 1.69 1.01 0.93 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 0.00 126 S 8.99 4.89 0.00 3.77 3.70 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 0.00 127 V 8.39 4.34 2.12 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 0.80 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.