NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 M 4.4138 8.2893 120.3455 55.3401 33.6396 174.3699 7 I 4.4298 7.7080 117.2044 57.3604 40.5820 172.4384 8 P 4.3940 0.0000 0.0000 64.4818 32.2164 178.2374 9 G 3.8535 9.1841 111.5393 45.2620 0.0000 172.9731 10 G 3.9516 7.6048 108.7297 43.7082 0.0000 173.3840 11 L 4.5368 7.9086 119.0095 54.0737 42.5331 177.6732 12 S 4.4795 8.6167 118.0337 57.4823 64.4010 173.3083 13 E 4.1681 8.5229 120.5660 55.8395 30.2872 175.9663 14 A 4.1846 8.4243 126.6712 52.0360 19.0194 177.1762 15 K 4.4521 8.6744 122.2940 54.0259 35.4258 174.1820 16 P 5.0947 0.0000 0.0000 61.3157 32.9109 175.9985 17 A 4.2848 8.4670 123.8523 53.0066 18.8506 177.3249 18 T 4.5761 8.2958 112.0213 58.8418 71.3194 173.5989 19 P 3.9838 0.0000 0.0000 65.6090 31.2415 178.4038 20 E 3.8018 7.5856 117.9791 59.2178 29.5248 178.7323 21 I 3.2127 7.9672 120.2503 64.2221 37.1465 177.9544 22 Q 3.8578 7.9480 119.7722 59.3925 28.7677 177.8269 23 E 3.8957 8.0855 119.9797 59.4482 29.2714 178.8493 24 I 3.5408 7.2162 118.5698 64.4206 37.4649 177.9444 25 V 3.6523 7.7106 118.9463 66.4953 31.1977 177.2452 26 D 4.2911 8.5650 118.3384 57.7215 40.5834 178.9221 27 K 3.7205 7.9912 119.2371 59.5368 32.3788 178.0997 28 V 3.9665 7.6655 117.2994 63.9018 31.7109 177.4648 29 K 3.7673 7.9948 120.1442 59.3464 31.8234 176.2968 30 P 4.2660 0.0000 0.0000 66.1495 31.0298 178.5326 31 Q 4.0016 7.7418 114.6094 58.6933 28.7613 178.1822 32 L 4.0001 7.9600 121.5516 58.1433 41.9933 179.0125 33 E 4.0356 8.0928 118.0286 59.1280 29.5275 178.6414 34 E 4.6964 8.2792 117.9570 55.8291 30.1969 177.2158 35 K 4.7879 7.7947 117.9846 57.9191 40.3500 177.3585 36 T 4.1367 8.3037 107.7224 61.1268 69.3558 174.9876 37 N 4.2381 8.4083 119.3522 54.2387 38.5659 174.0730 38 E 4.1441 7.4399 117.5454 56.9276 31.2476 176.4860 39 T 4.4806 7.2234 112.7140 64.5997 70.5115 172.7064 40 Y 4.3001 8.2162 125.2085 56.9333 40.7786 178.6162 *43 G 4.3005 8.1428 110.8441 45.3324 0.0000 176.3116 44 K 4.3470 8.8471 132.8156 55.3705 33.6155 174.7870 45 L 4.4848 8.3963 125.9783 53.9018 42.8186 176.0144 46 E 4.6376 8.6659 124.6656 53.9221 32.0661 174.8093 47 A 4.3867 8.7138 129.6367 52.3321 18.6336 176.8773 48 V 4.3916 8.9456 120.9869 63.4268 34.7868 174.9568 49 Q 5.2394 8.0250 119.3681 55.2220 32.6064 172.6691 50 Y 5.4540 9.1617 121.4548 55.9260 42.1271 173.6145 51 K 4.8523 9.5672 119.2477 55.0428 36.6331 175.5239 52 T 5.2143 8.9742 119.6194 62.0414 72.1200 173.1250 53 Q 4.7300 8.4393 124.7520 54.4305 32.7181 174.1649 54 V 4.2389 8.4754 126.0215 62.7791 32.2968 175.9801 55 V 4.0447 8.5301 121.1968 60.5384 35.0395 174.1283 56 A 4.1982 8.9227 125.3951 56.2873 19.9191 178.8856 57 G 4.0516 7.9689 97.0572 46.3255 0.0000 175.5923 58 T 5.0233 7.7557 121.2088 61.5323 72.7021 171.5105 59 N 5.1628 8.7677 122.6583 52.2416 41.4092 174.1268 60 Y 5.0842 8.2627 118.8823 56.5876 41.1687 173.5955 61 Y 4.7875 9.0833 122.7810 57.1659 39.5508 174.8657 62 I 5.1222 9.2251 125.6269 59.2673 41.1568 174.6120 63 K 4.8342 9.1469 129.0194 55.8859 33.4730 175.4459 64 V 4.9529 8.7053 127.3048 61.0843 34.7724 173.9982 65 R 4.5443 9.0781 128.2898 54.7717 31.4147 174.7251 66 A 4.8849 8.0297 127.9820 49.5317 21.8127 179.4795 67 G 3.6606 7.7386 104.9094 46.4116 0.0000 176.2628 68 D 4.4883 8.3527 129.0617 53.2971 41.0982 176.5618 *92 N 4.5118 8.4639 123.1989 52.9149 40.4301 173.8884 93 K 4.6871 7.4668 118.8164 55.0888 34.6183 174.5347 94 Y 5.2373 8.4577 122.0021 56.7018 42.6069 174.2362 95 M 5.1341 9.0943 120.7648 54.1847 37.4138 174.2087 96 H 5.0957 9.4622 115.8653 54.6464 32.0056 172.9282 97 L 4.9718 8.8892 124.1097 53.8897 43.6351 176.2119 98 K 4.5713 9.5558 124.4909 54.7431 34.6784 174.6909 99 V 4.9346 8.4748 129.0589 60.9471 33.7387 174.6010 100 F 4.8509 9.3962 131.4780 57.9058 41.0724 173.9631 101 K 4.4528 7.6770 125.9615 54.1577 34.9909 175.7827 102 S 4.3187 8.3006 121.9988 57.9684 63.6761 172.9842 102A L 4.3560 8.5114 121.6169 53.4880 42.4628 177.0116 103 P 4.0443 0.0000 0.0000 65.6667 31.0004 177.1922 104 G 3.6421 7.6428 104.8732 49.5095 0.0000 172.8560 105 Q 3.9719 8.0810 120.1984 54.5621 29.1342 176.4032 105A N 4.4466 8.6360 122.0895 53.9431 37.6918 173.0968 106 E 4.7120 8.1299 123.8997 54.5735 33.0884 173.9254 107 D 4.8809 8.2435 122.0367 52.0320 43.1183 176.3457 108 L 4.1176 8.3920 120.5502 55.8104 42.2218 176.8748 109 V 4.3066 8.7083 124.2677 61.1018 33.9255 174.6053 110 L 4.9456 8.6608 130.7392 54.4931 40.6441 176.0216 111 T 4.2165 8.9429 117.0266 63.7988 69.8387 175.0030 112 G 4.6321 8.0392 107.6120 45.6765 0.0000 171.6903 113 Y 6.2342 7.7772 117.9886 56.0116 41.1416 173.9675 114 Q 4.5530 8.9394 120.6076 54.1924 32.4507 174.9903 115 V 4.4579 8.5059 122.9492 61.0403 34.5067 174.0448 115A D 4.4735 8.5126 118.9071 55.3393 38.3741 174.4003 116 K 4.4810 8.5204 117.7916 55.0217 34.1616 176.5681 117 N 4.7902 8.6230 118.3822 52.4269 39.3380 176.7588 118 K 2.5976 7.9287 120.9863 58.7012 32.2721 177.3456 119 D 4.6194 7.5621 115.7931 53.6861 40.9221 175.4435 120 D 4.3005 7.5611 119.8326 53.8911 40.8560 175.7593 121 E 3.8892 8.6640 128.5019 55.9641 29.9765 176.2973 122 L 3.9771 8.4669 126.3225 55.3778 40.7265 176.7825 123 T 4.3337 8.2805 114.4983 60.2167 70.7304 174.1108 124 G 3.7279 8.1340 110.1434 43.6235 0.0000 173.6029 125 F 4.5337 8.2555 116.5224 56.9997 37.8262 174.1924 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 M 8.29 4.41 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 7 I 7.71 4.43 1.86 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 1.40 0.40 0.90 0.00 0.00 8 P 0.00 4.39 0.00 2.06 2.05 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 9 G 9.18 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 10 G 7.60 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 11 L 7.91 4.54 0.00 1.40 1.45 -0.10 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.62 4.48 0.00 3.84 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 13 E 8.52 4.17 0.00 1.96 1.83 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 2.25 2.28 0.00 14 A 8.42 4.18 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 15 K 8.67 4.45 0.00 0.79 1.58 0.00 1.46 0.00 0.00 0.64 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.26 7.81 16 P 0.00 5.09 0.00 1.98 2.00 0.00 3.71 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 2.00 2.08 0.00 17 A 8.47 4.28 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 18 T 8.30 4.58 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 1.36 0.00 0.00 19 P 0.00 3.98 0.00 2.14 2.16 0.00 3.57 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 2.11 2.17 0.00 20 E 7.59 3.80 0.00 1.76 1.76 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 2.17 2.27 0.00 21 I 7.97 3.21 1.82 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.36 0.65 0.00 0.00 22 Q 7.95 3.86 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 23 E 8.09 3.90 0.00 2.11 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 0.00 2.27 2.47 0.00 24 I 7.22 3.54 1.73 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.57 0.75 0.00 0.00 25 V 7.71 3.65 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 0.99 0.00 0.00 0.90 0.00 0.00 26 D 8.56 4.29 0.00 2.67 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 27 K 7.99 3.72 0.00 1.85 1.97 0.00 1.77 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.47 7.81 28 V 7.67 3.97 2.32 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 0.97 0.00 0.00 0.94 0.00 0.00 29 K 7.99 3.77 0.00 1.83 1.89 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.54 7.81 30 P 0.00 4.27 0.00 2.20 2.12 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 31 Q 7.74 4.00 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 32 L 7.96 4.00 0.00 1.73 1.70 0.32 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.09 4.04 0.00 2.27 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 0.00 2.47 2.67 0.00 34 E 8.28 4.70 0.00 1.95 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 2.35 2.47 0.00 35 K 7.79 4.79 0.00 1.96 1.96 0.00 1.88 0.00 0.00 2.05 0.00 0.00 3.15 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.68 7.81 36 T 8.30 4.14 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 0.97 0.00 0.00 37 N 8.41 4.24 0.00 2.78 2.88 0.00 0.00 7.08 7.39 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 38 E 7.44 4.14 0.00 1.72 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 1.74 2.01 0.00 39 T 7.22 4.48 4.13 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 1.16 0.00 0.00 40 Y 8.22 4.30 0.00 2.97 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 *43 G 8.14 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 0.00 0.00 0.00 0.00 44 K 8.85 4.35 0.00 1.83 1.99 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.45 7.81 45 L 8.40 4.48 0.00 1.50 1.57 0.67 0.64 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 46 E 8.67 4.64 0.00 2.03 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 2.20 2.40 0.00 47 A 8.71 4.39 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 48 V 8.95 4.39 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 1.02 0.00 0.00 1.13 0.00 0.00 49 Q 8.02 5.24 0.00 2.17 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.51 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 50 Y 9.16 5.45 0.00 3.20 3.04 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 51 K 9.57 4.85 0.00 1.69 1.66 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.33 7.81 52 T 8.97 5.21 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 1.32 0.00 0.00 53 Q 8.44 4.73 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 54 V 8.48 4.24 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 0.83 0.00 0.00 0.92 0.00 0.00 55 V 8.53 4.04 2.17 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 0.69 0.00 0.00 1.15 0.00 0.00 56 A 8.92 4.20 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 57 G 7.97 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 58 T 7.76 5.02 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 0.42 0.00 0.00 59 N 8.77 5.16 0.00 2.95 2.65 0.00 0.00 6.57 6.75 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 60 Y 8.26 5.08 0.00 2.95 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 61 Y 9.08 4.79 0.00 2.96 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 62 I 9.23 5.12 1.94 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 1.22 1.06 1.03 0.00 0.00 63 K 9.15 4.83 0.00 1.91 1.76 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.60 7.81 64 V 8.71 4.95 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 0.94 0.00 0.00 0.95 0.00 0.00 65 R 9.08 4.54 0.00 1.99 1.76 0.00 3.11 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.07 0.00 66 A 8.03 4.88 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 67 G 7.74 3.66 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 0.00 0.00 0.00 68 D 8.35 4.49 0.00 2.78 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 *92 N 8.46 4.51 0.00 2.81 3.11 0.00 0.00 6.99 7.61 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 93 K 7.47 4.69 0.00 1.93 1.57 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.43 7.81 94 Y 8.46 5.24 0.00 3.15 2.83 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 95 M 9.09 5.13 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 96 H 9.46 5.10 0.00 3.19 3.51 0.00 5.62 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.89 4.97 0.00 1.75 1.64 0.97 0.66 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 98 K 9.56 4.57 0.00 1.25 1.73 0.00 1.08 0.00 0.00 1.33 0.00 0.00 2.45 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.71 0.21 7.81 99 V 8.47 4.93 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 0.98 0.00 0.00 0.96 0.00 0.00 100 F 9.40 4.85 0.00 3.00 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 0.00 101 K 7.68 4.45 0.00 1.65 1.31 0.00 1.98 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.16 1.27 7.81 102 S 8.30 4.32 0.00 4.11 3.72 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 102A L 8.51 4.36 0.00 1.76 1.55 0.97 0.96 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 0.00 103 P 0.00 4.04 0.00 2.03 2.09 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 104 G 7.64 3.64 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 0.00 105 Q 8.08 3.97 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.08 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 105A N 8.64 4.45 0.00 2.66 2.79 0.00 0.00 6.91 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 0.00 106 E 8.13 4.71 0.00 1.94 1.76 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 2.24 2.38 0.00 107 D 8.24 4.88 0.00 2.71 2.57 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 0.00 108 L 8.39 4.12 0.00 1.50 1.65 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.71 4.31 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.15 0.00 0.00 110 L 8.66 4.95 0.00 1.77 1.79 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.94 4.22 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 1.17 0.00 0.00 112 G 8.04 4.63 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 0.00 0.00 0.00 0.00 113 Y 7.78 6.23 0.00 2.98 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 0.00 114 Q 8.94 4.55 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 115 V 8.51 4.46 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 0.90 0.00 0.00 1.12 0.00 0.00 115A D 8.51 4.47 0.00 2.90 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 0.00 116 K 8.52 4.48 0.00 1.83 1.62 0.00 1.03 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.25 7.81 117 N 8.62 4.79 0.00 2.99 2.63 0.00 0.00 6.97 6.46 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 0.00 118 K 7.93 2.60 0.00 0.79 1.44 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.13 1.21 7.81 119 D 7.56 4.62 0.00 2.62 2.60 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 0.00 120 D 7.56 4.30 0.00 2.82 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 0.00 121 E 8.66 3.89 0.00 1.94 1.86 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 2.28 2.38 0.00 122 L 8.47 3.98 0.00 1.65 1.64 0.96 0.81 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 0.00 123 T 8.28 4.33 4.28 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 1.30 0.00 0.00 124 G 8.13 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 0.00 125 F 8.26 4.53 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 * Residues marked with a * may have inaccurate shift predictions.