NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.0548 8.2993 119.9843 56.0125 32.8247 175.0940 12 F 4.1634 8.1242 119.9336 56.9846 38.0546 174.5255 13 R 4.2273 8.9825 122.7381 56.8579 32.5410 179.6003 14 V 3.0499 7.8624 116.5301 62.7445 30.9945 172.7730 15 R 4.3469 8.8798 112.2287 56.8881 27.3608 177.2534 16 N 4.4130 7.4535 115.5330 55.2432 39.6952 176.8396 17 R 4.3673 7.1644 122.0980 54.2527 28.2541 177.2162 18 I 3.5854 8.5709 113.1554 61.0579 36.3795 174.3958 19 K 4.4898 7.8056 115.3078 56.0553 33.1297 175.1361 20 R 4.5622 8.0166 116.5427 54.6006 31.0178 176.2706 21 T 4.6125 8.2543 116.5545 63.0610 71.4638 174.9916 22 G 3.9067 8.2403 109.8129 44.6035 0.0000 173.6795 23 R 3.1924 8.2317 118.4176 56.8000 29.6061 174.2215 24 L 3.6345 8.1402 121.2062 55.1235 39.0862 174.4864 25 R 4.6415 8.6104 124.3950 55.5266 32.5556 175.6804 26 L 5.2952 7.4100 113.1158 55.7712 42.1925 175.4291 27 S 4.1955 7.6480 115.3019 58.7150 64.1248 173.4642 28 V 4.8978 7.9917 123.0205 61.0814 35.4088 174.4648 29 F 5.0552 8.6211 124.8925 56.6858 42.3278 172.9479 30 R 4.8219 9.2725 127.2637 55.2589 30.7897 175.3939 31 S 4.7459 8.3298 119.4789 55.9010 65.6228 174.4240 32 L 4.1314 8.6605 124.8857 57.1067 41.4504 178.2531 33 K 4.5571 7.7692 114.4375 56.0473 34.2469 175.1967 34 H 5.0375 7.7284 114.7017 56.6989 30.4062 173.1889 35 I 5.5553 7.1197 123.5609 62.4154 38.9163 173.7807 36 Y 4.7561 8.3765 124.2749 58.2778 40.9035 173.6588 37 A 4.5984 8.0533 115.9694 52.2708 22.4172 175.9740 38 Q 4.8720 8.8547 121.4270 54.1003 33.3359 175.1044 39 I 4.8082 8.0962 121.4543 59.9012 39.1915 174.4878 40 I 4.4709 8.1164 128.0330 60.0625 39.2395 174.7809 41 D 5.0434 8.1029 124.7287 52.0247 40.9303 175.0986 42 D 4.5524 8.0589 123.4957 54.5062 41.7762 176.8462 43 E 3.9288 8.9144 116.2611 57.2904 27.1910 174.9246 44 K 4.4519 8.0337 116.4194 55.5786 37.4726 176.8636 45 G 3.8613 7.8874 105.6733 45.9015 0.0000 174.0247 46 V 4.0479 7.1797 120.2226 63.0708 34.6702 175.0425 47 T 4.4344 8.2004 116.4245 63.2271 70.1067 173.9320 48 L 4.1333 8.6728 126.4721 57.4327 41.6655 177.4522 49 V 4.6315 7.1909 116.2638 61.0688 35.5697 173.4217 50 S 5.4324 8.2653 111.2019 58.0704 64.6123 177.1539 51 A 4.8003 8.5661 125.2797 49.5063 18.0954 174.6924 52 S 4.1482 8.1855 116.8646 57.1900 64.1940 176.6326 53 S 4.6180 7.4285 120.2027 58.2236 60.7053 177.0021 54 L 3.9196 8.3111 115.1278 57.7161 41.4944 178.2008 55 A 4.4462 6.9350 120.8083 52.0331 18.0521 177.9456 56 L 4.5322 9.0024 120.9971 55.9091 46.4432 176.6233 57 K 4.5623 9.1047 122.4302 54.0247 29.9595 175.6219 58 L 3.2673 8.0371 113.1031 55.3093 42.4810 177.1819 59 K 4.4219 8.1778 118.5594 56.2363 31.1465 179.0191 60 G 4.1222 8.3117 113.8142 46.6596 0.0000 173.0188 61 N 4.4021 7.7584 119.0861 51.6669 40.0457 177.2822 62 K 4.8716 8.0231 121.8089 56.8976 31.5968 177.1341 63 T 3.7598 8.2270 114.4843 65.6983 69.5848 175.7953 64 E 4.0743 8.4451 122.9071 58.7053 29.3513 179.1208 65 V 3.6614 7.7033 117.9803 65.6529 31.3212 177.7262 66 A 3.9701 8.1405 120.2955 55.3287 18.4074 179.3639 67 R 3.9366 7.9483 115.9202 59.5334 30.1055 178.7811 68 Q 3.9910 7.7624 116.4307 59.2735 29.0939 179.7706 69 V 3.7061 8.1589 119.9861 64.6835 31.0292 178.1397 70 G 3.6105 8.1808 107.3215 47.5566 0.0000 175.7902 71 R 4.0100 8.0955 120.5181 59.1695 29.9618 177.8322 72 A 4.0200 8.3461 121.2204 54.6168 18.2250 178.8938 73 L 3.8837 8.3351 116.2424 57.9137 42.6025 179.0134 74 A 3.8288 8.9657 116.8097 56.1852 17.9825 179.3391 75 E 3.5563 7.6254 114.6092 57.8903 30.1056 179.7670 76 K 4.2249 7.9653 120.7230 60.3922 32.5517 178.1229 77 A 3.9030 8.9220 120.0034 55.1333 18.3658 181.0565 78 L 3.6975 8.3261 112.5733 56.7313 41.8915 179.4532 79 A 4.2175 7.6121 116.2748 53.0680 17.9498 177.9574 80 L 4.5383 8.5329 119.9398 55.8286 43.8334 176.7310 81 G 3.6773 8.0131 106.3215 45.2190 0.0000 173.3516 82 I 4.4147 7.2751 120.3287 59.4476 38.7514 174.5775 83 K 4.3907 7.7746 131.2036 56.4730 34.2401 174.0316 84 Q 4.9995 8.1129 119.6959 54.4090 31.3820 173.2835 85 V 4.3733 7.4457 122.6488 59.9819 38.8288 176.4020 86 A 4.2767 8.8810 126.6303 52.1024 22.7743 176.6963 87 F 4.8654 9.1295 125.4885 59.9907 40.3814 172.6574 88 D 3.7955 6.5134 124.1798 53.4732 44.9299 176.9755 89 R 3.6391 7.7976 129.5664 55.0439 31.0888 175.5116 90 G 3.7535 8.7343 113.1581 46.7154 0.0000 173.9644 91 P 4.6025 0.0000 0.0000 61.2689 30.1175 177.7102 92 Y 3.8695 9.0325 115.8683 57.5151 38.5323 175.4588 93 K 3.1509 6.0877 120.1942 58.9125 29.6522 177.5604 94 Y 3.9361 5.3700 120.4016 57.6079 37.5298 173.6483 95 H 4.5240 8.3314 124.2974 55.0105 34.4490 176.9013 96 G 3.5603 8.4287 111.5949 46.3142 0.0000 175.4029 97 R 3.8198 9.3848 112.2786 56.7392 29.9935 176.7968 98 V 3.0855 8.6744 119.2353 62.5459 30.7362 176.2446 99 K 4.4021 8.5130 123.3613 56.4607 31.7064 175.6257 100 A 3.9800 6.9063 126.3264 51.7578 17.8623 176.7163 101 L 4.6183 7.7413 119.6927 53.2847 42.9168 176.2578 102 A 3.9495 8.8988 124.7137 53.6001 18.1612 180.3844 103 E 3.7188 8.0020 117.1535 57.8270 31.0298 178.2311 104 G 3.8813 8.1165 113.8803 46.0443 0.0000 173.2361 105 A 4.5070 8.1663 130.3152 52.4891 18.1916 178.4763 106 R 4.1180 8.0138 118.7933 56.7917 30.4173 176.4395 107 E 3.8126 8.5070 117.6743 56.4966 29.6792 172.2179 108 G 3.9484 8.6836 107.7505 45.4846 0.0000 173.9077 *109 G 3.7078 7.7747 111.6398 45.6706 0.0000 172.3490 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 11 K 8.30 4.05 0.00 1.77 1.84 0.00 1.54 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.42 7.81 12 F 8.12 4.16 0.00 3.06 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 13 R 8.98 4.23 0.00 1.86 2.07 0.00 3.47 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 14 V 7.86 3.05 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 0.83 0.00 0.00 0.92 0.00 0.00 15 R 8.88 4.35 0.00 1.97 1.92 0.00 3.33 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.57 0.00 16 N 7.45 4.41 0.00 2.35 2.51 0.00 0.00 6.83 7.54 0.00 0.00 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 7.16 4.37 0.00 2.03 1.62 0.00 2.82 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.48 0.00 18 I 8.57 3.59 1.84 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 1.28 0.98 0.90 0.00 0.00 19 K 7.81 4.49 0.00 1.69 1.72 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.40 7.81 20 R 8.02 4.56 0.00 1.79 1.82 0.00 3.35 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 21 T 8.25 4.61 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 22 G 8.24 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 23 R 8.23 3.19 0.00 1.88 1.89 0.00 3.32 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 24 L 8.14 3.63 0.00 1.83 1.71 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.61 4.64 0.00 1.61 1.84 0.00 3.17 0.00 0.00 3.06 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 26 L 7.41 5.30 0.00 1.73 1.64 1.15 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.65 4.20 0.00 3.92 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 28 V 7.99 4.90 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 0.99 0.00 0.00 1.04 0.00 0.00 29 F 8.62 5.06 0.00 2.93 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 30 R 9.27 4.82 0.00 1.97 1.97 0.00 3.31 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 31 S 8.33 4.75 0.00 3.34 3.45 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 32 L 8.66 4.13 0.00 1.67 1.74 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.77 4.56 0.00 1.58 1.69 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.46 7.81 34 H 7.73 5.04 0.00 3.03 2.94 0.00 5.79 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.12 5.56 1.86 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 1.47 0.83 0.86 0.00 0.00 36 Y 8.38 4.76 0.00 2.86 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 37 A 8.05 4.60 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 38 Q 8.85 4.87 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 39 I 8.10 4.81 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.65 0.93 0.00 0.00 40 I 8.12 4.47 1.84 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 1.21 0.66 1.02 0.00 0.00 41 D 8.10 5.04 0.00 2.81 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 42 D 8.06 4.55 0.00 2.81 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 43 E 8.91 3.93 0.00 2.11 2.05 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 2.20 2.21 0.00 44 K 8.03 4.45 0.00 1.60 2.08 0.00 1.90 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.38 7.81 45 G 7.89 3.86 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 0.00 0.00 0.00 46 V 7.18 4.05 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 0.97 0.00 0.00 0.97 0.00 0.00 47 T 8.20 4.43 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 1.35 0.00 0.00 48 L 8.67 4.13 0.00 1.51 1.74 0.93 1.21 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 49 V 7.19 4.63 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 1.09 0.00 0.00 0.95 0.00 0.00 50 S 8.27 5.43 0.00 3.91 3.81 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 51 A 8.57 4.80 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 52 S 8.19 4.15 0.00 3.37 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 53 S 7.43 4.62 0.00 4.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.31 3.92 0.00 1.77 1.71 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 55 A 6.94 4.45 1.11 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 0.00 0.00 56 L 9.00 4.53 0.00 1.39 1.80 0.92 0.53 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 57 K 9.10 4.56 0.00 1.84 1.66 0.00 1.90 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.18 1.16 7.81 58 L 8.04 3.27 0.00 1.67 1.69 0.89 0.88 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 59 K 8.18 4.42 0.00 1.72 1.66 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.43 1.54 7.81 60 G 8.31 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.76 4.40 0.00 2.68 2.65 0.00 0.00 7.14 6.68 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 62 K 8.02 4.87 0.00 1.91 1.67 0.00 1.74 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 1.08 7.81 63 T 8.23 3.76 4.19 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 1.16 0.00 0.00 64 E 8.45 4.07 0.00 2.08 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 0.00 2.29 2.32 0.00 65 V 7.70 3.66 2.30 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 1.00 0.00 0.00 0.96 0.00 0.00 66 A 8.14 3.97 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 67 R 7.95 3.94 0.00 1.96 1.96 0.00 3.28 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 68 Q 7.76 3.99 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 69 V 8.16 3.71 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 0.84 0.00 0.00 0.97 0.00 0.00 70 G 8.18 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 71 R 8.10 4.01 0.00 1.86 2.02 0.00 3.13 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 72 A 8.35 4.02 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 73 L 8.34 3.88 0.00 1.80 1.74 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.97 3.83 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 75 E 7.63 3.56 0.00 2.05 1.91 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 2.34 2.64 0.00 76 K 7.97 4.22 0.00 1.87 1.88 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.72 7.81 77 A 8.92 3.90 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 78 L 8.33 3.70 0.00 1.98 1.64 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.61 4.22 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 80 L 8.53 4.54 0.00 1.69 1.70 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.01 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.28 4.41 1.89 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 1.31 0.93 0.93 0.00 0.00 83 K 7.77 4.39 0.00 1.77 1.75 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 1.23 7.81 84 Q 8.11 5.00 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.50 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 85 V 7.45 4.37 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 0.70 0.00 0.00 0.99 0.00 0.00 86 A 8.88 4.28 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 87 F 9.13 4.87 0.00 3.06 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 88 D 6.51 3.80 0.00 2.36 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.80 3.64 0.00 1.72 2.07 0.00 3.71 0.00 0.00 3.35 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.88 0.00 90 G 8.73 3.75 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 0.00 0.00 0.00 91 P 0.00 4.60 0.00 1.90 1.33 0.00 3.62 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.37 0.00 92 Y 9.03 3.87 0.00 3.23 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 93 K 6.09 3.15 0.00 1.87 1.96 0.00 1.62 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.46 7.81 94 Y 5.37 3.94 0.00 2.72 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 95 H 8.33 4.52 0.00 3.02 3.21 0.00 6.12 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 96 G 8.43 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 97 R 9.38 3.82 0.00 1.90 2.05 0.00 3.21 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 98 V 8.67 3.09 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 0.63 0.00 0.00 0.45 0.00 0.00 99 K 8.51 4.40 0.00 1.77 1.91 0.00 1.97 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.66 1.60 7.81 100 A 6.91 3.98 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 0.00 101 L 7.74 4.62 0.00 1.76 1.76 1.00 0.58 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 0.00 102 A 8.90 3.95 1.23 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 0.00 0.00 0.00 103 E 8.00 3.72 0.00 2.01 2.00 0.00 0.00 0.00 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 2.32 0.00 104 G 8.12 3.88 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 0.00 0.00 0.00 105 A 8.17 4.51 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 0.00 106 R 8.01 4.12 0.00 1.97 1.99 0.00 3.43 0.00 0.00 3.10 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 107 E 8.51 3.81 0.00 2.13 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 2.17 2.35 0.00 108 G 8.68 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 *109 G 7.77 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 * Residues marked with a * may have inaccurate shift predictions.