NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9802 8.2127 108.0356 46.4277 0.0000 171.3608 3 R 4.8092 8.4799 122.5554 52.9767 31.8298 175.7299 4 F 4.9201 8.2195 120.0764 56.2650 42.3731 172.1599 5 V 4.7851 8.5495 118.8500 61.4032 33.3247 174.7042 6 V 4.7232 9.2240 127.5122 60.9364 33.9387 173.8554 7 W 5.0171 9.3529 135.0000 55.0039 32.6608 174.3703 8 P 4.1480 0.0000 0.0000 65.8608 31.3666 178.6600 9 S 3.7500 6.7470 113.4583 61.1507 62.8980 176.2319 10 E 4.3864 8.3766 119.8891 57.8547 29.5732 178.0447 11 L 4.7505 7.8153 118.0010 55.0946 41.1017 174.9921 12 D 4.9775 7.8248 119.9257 53.3760 41.3117 177.2171 13 S 4.3357 8.6555 122.5829 60.3758 63.2963 175.7441 14 R 4.0414 8.2224 119.8894 58.0171 30.0758 176.5674 15 L 4.6431 7.4624 117.5406 52.9040 43.7027 176.3190 16 S 4.5988 8.1953 115.3142 57.4931 64.6704 175.5634 17 R 4.3368 8.4364 121.0910 58.7965 29.5118 179.1831 18 K 4.0414 8.1523 118.1611 59.0242 32.2909 176.9775 19 Y 4.6239 8.1248 116.1264 57.1553 39.1365 174.4010 20 G 3.5550 7.8865 109.4985 46.0119 0.0000 174.2341 21 R 4.2403 8.0222 122.5999 56.6366 30.5809 176.7120 22 I 4.0951 8.5039 126.0756 62.6170 38.7062 176.8894 23 V 3.7982 7.5098 118.8510 61.4751 32.3006 173.7070 24 P 4.3359 0.0000 0.0000 62.7202 31.7189 177.2564 25 R 3.9432 8.8583 118.5392 59.4836 29.1700 178.8864 26 S 4.0220 7.9636 111.1545 59.9216 63.5467 174.8360 27 I 4.0171 7.6154 121.0470 62.8446 37.6949 176.3135 28 A 4.2299 7.2272 120.6448 52.3462 18.9321 177.5214 29 V 4.4800 8.1664 112.4110 59.1375 35.3562 174.8889 30 E 4.1059 8.7475 124.3559 56.8500 29.9852 177.1000 31 S 3.6375 8.7939 122.2428 59.0528 60.2313 170.4905 32 P 4.4783 0.0000 0.0000 62.5911 32.3877 177.6910 33 R 4.4238 8.7945 122.5263 54.8860 32.6809 177.7572 34 V 3.6639 8.4444 123.4453 67.2041 31.4981 179.0852 35 E 4.0251 8.1388 117.2182 61.0121 29.4802 180.6243 36 E 4.1987 7.9996 118.1927 59.5644 29.5672 179.2822 37 I 3.7873 7.9178 119.9294 64.2354 37.0786 178.6428 38 V 3.6312 8.0080 119.1373 66.2071 31.3551 178.3435 39 R 4.1841 8.3416 118.8885 58.5888 29.8700 178.9191 40 A 4.0837 8.6514 120.6222 55.2141 18.4199 179.4453 41 A 3.8926 8.4162 119.6288 55.4697 18.2699 179.7456 42 E 3.9208 8.4860 117.2185 59.5665 29.3170 179.2583 43 E 4.0874 8.2872 118.5075 58.8423 29.7939 177.9286 44 L 4.0542 7.4291 116.2907 53.9996 41.7129 177.0498 45 K 3.9287 7.5863 117.1894 57.2617 29.9967 176.0255 46 F 4.8148 7.8071 117.0457 57.4279 40.0181 174.9677 47 K 4.3263 8.8275 123.4353 55.5262 33.3933 175.6570 48 V 4.2419 8.3827 128.2568 62.6373 31.5836 175.4246 49 I 4.0982 8.9807 130.0267 63.6954 37.8672 176.5336 50 R 4.6956 7.6380 120.3771 54.9528 33.6104 173.3812 51 V 4.9079 8.4048 124.4134 61.1361 34.4286 174.2256 52 E 4.8616 9.4370 127.0725 54.5412 32.9031 174.6273 53 E 5.0771 8.8439 124.2764 54.6836 32.8777 173.5933 54 D 4.9967 9.7826 126.8393 52.4269 44.2960 174.1998 55 K 5.0600 8.8791 125.0952 54.5148 34.5225 175.1719 56 L 4.7271 8.8271 129.8672 53.3546 44.5936 175.9979 57 N 4.4321 9.2529 125.4225 54.0300 38.0004 170.4003 58 P 4.8294 0.0000 0.0000 62.6834 35.3016 172.3214 *65 E 4.5015 8.0878 110.8964 57.5997 31.7680 175.7437 66 E 4.2305 8.3168 119.2746 58.5762 29.8893 177.9954 67 L 4.6939 7.8676 121.1510 54.7867 41.4615 183.6856 68 R 4.2420 8.2342 120.7215 59.6374 29.5632 180.7656 69 T 5.2427 7.7949 112.5904 61.7157 71.9049 173.6262 70 F 5.0353 9.4608 127.5191 56.5202 42.8978 173.7509 71 G 4.4053 7.8525 111.3226 45.2952 0.0000 171.8702 72 M 5.1807 9.0448 122.6169 53.6870 37.2352 173.9805 73 I 4.9588 8.8127 122.8221 59.5673 41.0690 174.5222 74 V 4.4686 9.0444 128.0536 61.8212 32.8406 174.7617 75 L 5.1734 8.5779 127.0911 52.8412 46.0710 175.1237 76 E 4.8176 8.9798 120.7803 54.5949 32.0898 175.2110 77 S 4.5913 8.4316 119.0934 55.5645 65.0275 172.5612 78 P 4.1655 0.0000 0.0000 64.3300 31.3134 175.8860 79 Y 4.8959 7.3914 115.6589 55.4646 40.6735 175.9294 80 G 3.8545 8.3834 107.8730 44.3872 0.0000 174.7281 81 K 2.8238 8.0677 120.6749 58.9623 32.2355 178.7399 82 S 3.9792 7.7883 112.9262 61.3373 62.3762 175.9613 83 K 3.9589 7.9098 121.7546 59.4942 31.9783 178.7268 84 S 4.4532 8.2483 115.5324 61.7756 62.7260 176.7156 85 L 4.0792 8.2871 121.9475 57.7452 41.3610 179.7409 86 K 3.9694 7.9759 117.9835 59.4831 31.9176 179.4408 87 L 4.1686 8.1249 119.2391 57.7157 41.5053 179.6232 88 I 3.6755 8.1579 119.6605 64.3483 37.1068 178.1602 89 A 4.0010 8.1775 121.6549 55.4577 18.1936 179.7395 90 Q 3.8791 8.1000 116.3811 58.9012 28.6952 178.8850 91 K 3.6042 8.1326 120.8099 59.3719 32.1452 178.9189 92 I 3.8455 7.7631 120.0887 64.3896 37.0364 178.2563 93 R 3.8875 7.9011 119.5661 59.4720 29.8695 178.1756 94 E 3.8847 8.1121 118.9964 59.1194 29.6087 178.4782 95 F 4.5367 8.2374 118.2552 61.1209 39.0443 177.9818 96 R 4.0002 8.3282 117.2966 59.3071 29.7932 179.4153 97 R 3.9182 8.0521 117.9219 59.1478 29.8472 178.8887 98 R 3.8995 7.8411 117.2949 59.6501 30.1279 178.4594 99 S 4.2509 7.8568 113.0528 61.6865 62.9404 176.2842 100 A 4.1726 8.2807 123.6504 53.3362 17.8225 179.0634 101 G 4.0769 8.5181 103.0159 46.2009 0.0000 173.0126 102 T 4.6009 7.1763 111.6704 60.4973 70.6362 173.5139 103 L 4.1314 8.7105 130.6894 57.5536 42.5672 178.1060 104 V 4.1388 7.4254 116.8094 60.7569 34.6017 175.8950 105 P 4.5126 0.0000 0.0000 61.0804 30.4669 171.4087 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 G 8.21 3.98 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 0.00 0.00 0.00 3 R 8.48 4.81 0.00 1.80 1.77 0.00 3.23 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.69 0.00 4 F 8.22 4.92 0.00 3.06 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 5 V 8.55 4.79 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.97 0.00 0.00 6 V 9.22 4.72 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 1.06 0.00 0.00 1.22 0.00 0.00 7 W 9.35 5.02 0.00 3.32 3.16 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 8 P 0.00 4.15 0.00 1.99 2.19 0.00 3.59 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 2.03 2.08 0.00 9 S 6.75 3.75 0.00 2.72 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 10 E 8.38 4.39 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 11 L 7.82 4.75 0.00 1.80 1.81 0.94 0.65 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 12 D 7.82 4.98 0.00 2.76 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.66 4.34 0.00 3.99 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 14 R 8.22 4.04 0.00 1.87 2.01 0.00 3.14 0.00 0.00 3.63 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 15 L 7.46 4.64 0.00 1.77 1.71 0.87 1.08 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 16 S 8.20 4.60 0.00 4.03 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 R 8.44 4.34 0.00 1.90 2.05 0.00 3.42 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.56 0.00 18 K 8.15 4.04 0.00 1.80 1.93 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.56 7.81 19 Y 8.12 4.62 0.00 2.99 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 20 G 7.89 3.56 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 0.00 0.00 0.00 21 R 8.02 4.24 0.00 1.85 1.94 0.00 3.17 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 22 I 8.50 4.10 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.96 0.90 0.00 0.00 23 V 7.51 3.80 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 0.98 0.00 0.00 24 P 0.00 4.34 0.00 2.20 1.97 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 25 R 8.86 3.94 0.00 1.98 2.21 0.00 2.96 0.00 0.00 3.38 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 26 S 7.96 4.02 0.00 3.99 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 27 I 7.62 4.02 1.96 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 1.21 0.57 0.90 0.00 0.00 28 A 7.23 4.23 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 29 V 8.17 4.48 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 0.77 0.00 0.00 0.93 0.00 0.00 30 E 8.75 4.11 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 31 S 8.79 3.64 0.00 3.99 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.48 0.00 2.01 1.99 0.00 3.60 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 2.16 2.28 0.00 33 R 8.79 4.42 0.00 1.87 1.83 0.00 3.14 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 34 V 8.44 3.66 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 1.03 0.00 0.00 0.91 0.00 0.00 35 E 8.14 4.03 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 2.31 1.97 0.00 36 E 8.00 4.20 0.00 2.25 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 0.00 2.40 2.40 0.00 37 I 7.92 3.79 2.06 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 1.46 0.89 1.00 0.00 0.00 38 V 8.01 3.63 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 1.13 0.00 0.00 1.05 0.00 0.00 39 R 8.34 4.18 0.00 1.95 1.78 0.00 3.04 0.00 0.00 3.15 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 40 A 8.65 4.08 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 41 A 8.42 3.89 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.49 3.92 0.00 2.22 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 0.00 2.35 2.47 0.00 43 E 8.29 4.09 0.00 2.20 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 0.00 2.27 2.38 0.00 44 L 7.43 4.05 0.00 0.64 0.72 0.74 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.59 3.93 0.00 1.95 1.95 0.00 1.72 0.00 0.00 1.88 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.54 7.81 46 F 7.81 4.81 0.00 3.02 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 47 K 8.83 4.33 0.00 1.84 1.65 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.37 7.81 48 V 8.38 4.24 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 0.86 0.00 0.00 0.98 0.00 0.00 49 I 8.98 4.10 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.86 0.89 0.00 0.00 50 R 7.64 4.70 0.00 1.85 1.70 0.00 3.13 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 51 V 8.40 4.91 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 0.89 0.00 0.00 0.95 0.00 0.00 52 E 9.44 4.86 0.00 1.95 1.97 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 2.27 2.46 0.00 53 E 8.84 5.08 0.00 1.93 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 54 D 9.78 5.00 0.00 2.90 2.67 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 55 K 8.88 5.06 0.00 1.68 1.72 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.44 7.81 56 L 8.83 4.73 0.00 1.63 1.53 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 57 N 9.25 4.43 0.00 2.78 2.66 0.00 0.00 6.59 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 58 P 0.00 4.83 0.00 2.04 1.46 0.00 3.74 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 1.68 1.39 0.00 *65 E 8.09 4.50 0.00 1.91 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 2.21 1.88 0.00 66 E 8.32 4.23 0.00 2.25 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 0.00 2.36 2.42 0.00 67 L 7.87 4.69 0.00 1.68 1.57 0.92 0.79 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 68 R 8.23 4.24 0.00 1.74 1.97 0.00 3.17 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 69 T 7.79 5.24 4.30 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 1.26 0.00 0.00 70 F 9.46 5.04 0.00 3.15 2.90 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 71 G 7.85 4.41 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 72 M 9.04 5.18 0.00 1.86 1.88 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 1.68 0.00 73 I 8.81 4.96 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.93 0.99 0.00 0.00 74 V 9.04 4.47 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 0.74 0.00 0.00 0.94 0.00 0.00 75 L 8.58 5.17 0.00 1.02 1.19 1.09 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.98 4.82 0.00 1.73 1.69 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 2.06 2.08 0.00 77 S 8.43 4.59 0.00 2.72 3.38 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 78 P 0.00 4.17 0.00 1.04 1.79 0.00 3.24 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 79 Y 7.39 4.90 0.00 2.94 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 80 G 8.38 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 0.00 0.00 0.00 81 K 8.07 2.82 0.00 0.83 1.40 0.00 1.40 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.12 0.45 7.81 82 S 7.79 3.98 0.00 3.86 3.78 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 0.00 0.00 0.00 83 K 7.91 3.96 0.00 1.83 1.80 0.00 1.60 0.00 0.00 1.43 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.42 7.81 84 S 8.25 4.45 0.00 4.12 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 85 L 8.29 4.08 0.00 1.82 1.73 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.98 3.97 0.00 1.97 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.71 7.81 87 L 8.12 4.17 0.00 2.02 1.74 0.96 0.57 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 88 I 8.16 3.68 2.13 0.00 0.00 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 1.63 1.13 0.99 0.00 0.00 89 A 8.18 4.00 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 90 Q 8.10 3.88 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 91 K 8.13 3.60 0.00 1.76 1.66 0.00 1.49 0.00 0.00 1.30 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.07 0.41 7.81 92 I 7.76 3.85 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.73 0.99 0.00 0.00 93 R 7.90 3.89 0.00 1.88 2.06 0.00 3.07 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 94 E 8.11 3.88 0.00 2.05 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 2.26 2.30 0.00 95 F 8.24 4.54 0.00 3.32 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 96 R 8.33 4.00 0.00 1.91 2.01 0.00 3.17 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 97 R 8.05 3.92 0.00 2.12 1.99 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 98 R 7.84 3.90 0.00 1.88 2.27 0.00 3.36 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 99 S 7.86 4.25 0.00 4.07 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 0.00 100 A 8.28 4.17 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 0.00 101 G 8.52 4.08 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 0.00 0.00 0.00 102 T 7.18 4.60 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 1.25 0.00 0.00 103 L 8.71 4.13 0.00 1.64 1.66 0.92 0.83 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 0.00 104 V 7.43 4.14 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 0.81 0.00 0.00 0.93 0.00 0.00 105 P 0.00 4.51 0.00 2.16 2.18 0.00 3.74 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 1.90 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.