NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.6875 8.3644 120.3213 52.4223 42.1403 175.4797 5 V 4.1247 7.7530 114.3176 62.4954 35.3229 176.3644 6 L 4.1390 9.0693 120.7730 57.6818 42.3974 178.8475 7 K 3.9332 7.9244 117.0720 59.7048 31.9879 179.1102 8 N 4.4174 8.1347 116.0761 56.3314 38.4684 177.4117 9 I 3.7928 7.7316 120.5827 64.2143 37.1359 178.1693 10 A 4.0272 8.7268 121.9602 55.5549 18.2296 179.3187 11 D 4.3404 8.5674 117.5862 58.0261 40.9442 179.4185 12 T 3.9557 8.1405 116.1913 66.3807 68.1851 176.8552 13 L 4.1340 7.9824 120.2896 58.1036 42.2082 179.0660 14 E 4.0246 8.5711 118.5107 59.1722 29.0894 179.2203 15 A 4.0480 8.0163 120.3935 55.0032 18.5449 179.1673 16 R 4.4456 7.5219 111.4394 56.3987 30.0346 177.7957 17 R 3.5152 7.4228 120.6305 59.1678 30.8792 177.2578 18 E 4.6203 7.9094 114.1853 55.3710 30.0733 174.4612 19 A 4.5849 7.4680 121.8907 50.5853 22.1751 176.7423 20 A 4.2289 8.2806 118.4964 51.4919 19.0941 177.3635 21 P 4.2627 0.0000 0.0000 65.3953 31.4958 177.5504 22 Q 4.3393 7.8521 114.3502 56.3036 29.5463 176.4993 23 S 4.2254 7.8728 113.2668 60.8897 62.6225 173.5909 24 S 4.6242 7.4960 111.3143 56.2732 65.6151 173.6672 25 Y 4.1355 8.7966 120.9062 60.9394 38.5983 177.4826 26 V 3.1456 7.9835 118.4471 65.8880 31.4906 177.6872 27 A 4.2182 7.9526 120.3140 55.0613 18.2868 179.5602 28 S 4.1837 7.8616 112.4285 61.4810 62.9412 176.6311 29 L 3.7598 7.5917 122.4764 57.6728 41.1456 179.2792 30 F 4.5309 7.4773 116.1871 61.3051 38.9594 177.1061 31 H 4.4544 8.2305 116.8137 59.1469 29.7427 177.2023 32 K 4.1240 8.0326 119.9575 59.1104 32.2160 175.8290 33 G 3.7807 8.2015 103.7776 43.5983 0.0000 174.1508 34 E 3.1128 8.8424 118.5551 59.2207 29.2571 178.2465 35 D 4.2778 8.0191 117.8969 57.5639 40.7196 178.6153 36 A 3.9681 7.9276 120.4089 55.2359 18.2592 179.6442 37 I 3.7022 7.3022 118.2363 64.4287 37.2146 178.6149 38 L 4.0133 8.1408 120.1511 57.3782 41.2597 179.6508 39 K 3.9032 8.3197 119.0660 59.4168 31.9743 179.1557 40 K 3.8510 7.6026 118.3645 59.3921 32.0630 178.8705 41 V 3.5673 7.7885 118.2909 66.0715 31.4809 177.9105 42 A 3.9962 8.1294 120.4770 54.9192 18.1833 179.0651 43 E 3.8438 8.4333 118.0917 59.7671 29.7918 179.0701 44 E 3.9933 8.4863 118.3615 59.2231 29.3762 179.3565 45 A 4.0240 8.1015 120.8764 55.0925 18.2299 179.5825 46 A 3.9811 7.8860 118.4099 55.2034 18.5261 179.2327 47 E 4.0410 8.1973 117.1093 59.5061 29.9744 178.8490 48 T 4.0657 7.8887 116.1476 66.3354 68.4169 176.7395 49 L 4.0027 7.5057 116.4985 55.6217 41.1022 178.6564 *51 A 4.2866 7.8911 124.1989 52.3664 20.7454 179.7771 52 S 4.0856 8.1700 110.3136 61.3184 62.6641 176.3105 53 K 3.9574 8.0972 120.3105 59.4922 31.9237 177.0996 54 D 4.5284 8.0807 115.1984 53.9816 40.9836 176.2767 55 K 3.8676 7.7661 117.0343 57.4066 30.6257 176.8943 56 D 4.6443 7.5438 120.4332 52.8020 37.8428 176.2674 57 K 3.8243 8.1663 123.3681 59.1866 32.2905 178.2946 58 L 4.0227 7.8090 118.7862 57.8727 41.6414 178.6423 59 H 4.2596 8.3259 118.0291 58.7614 29.7695 176.8837 60 L 3.8503 8.0938 122.5335 58.3362 41.9355 179.1965 61 V 3.5108 7.3940 117.5290 66.0489 31.4374 178.1667 62 R 3.8731 7.7175 117.7015 59.1922 29.8865 179.0091 63 E 3.8975 8.3518 118.6377 59.4292 29.4702 179.3155 64 V 3.6299 8.1725 118.4215 66.0292 31.3619 177.9892 65 A 3.7132 7.8764 120.4026 55.1018 18.2315 179.1224 66 D 4.4726 8.1152 116.6224 57.2437 41.1421 178.2015 67 L 4.0721 8.5902 121.3080 58.0817 42.0115 178.7647 68 W 4.3485 8.5763 117.9971 59.8689 29.1394 177.9056 69 F 4.4154 8.6801 119.6682 62.0167 39.1208 176.8510 70 H 4.1455 8.6608 115.3828 58.5666 28.2878 178.1120 71 T 4.1855 7.9272 115.3848 64.3019 67.9496 176.1341 *73 V 3.8544 7.7467 123.2517 62.8543 33.6340 177.3213 74 L 3.9315 8.1004 121.1327 58.1754 41.8637 178.6928 75 L 4.0614 8.2247 119.2986 58.4871 41.6227 179.7955 76 T 4.0449 8.0217 114.8529 66.8864 68.1951 175.8857 77 Y 4.0690 8.1102 120.6370 60.2336 38.7776 176.6232 78 H 4.8556 7.8633 115.0243 54.7700 29.2752 175.1533 79 G 3.8863 7.7020 107.4821 46.5316 0.0000 173.7772 80 L 4.8958 7.8004 120.6245 53.0675 44.7821 175.6302 81 R 4.6013 9.1468 113.2364 54.3890 32.3752 174.6507 82 P 4.0846 0.0000 0.0000 65.7979 31.2318 178.1509 83 E 3.9248 8.2760 115.5851 59.7951 29.3646 178.8521 84 D 4.5020 8.1942 118.1159 57.4757 41.1652 178.8358 85 V 3.7211 7.5548 118.0474 65.8078 31.5109 178.3826 86 V 3.7880 7.7710 114.1723 64.0577 30.5738 176.8250 *88 E 4.2115 8.1270 120.0450 55.8048 31.1853 177.8599 89 L 4.0544 8.0693 119.0245 57.8267 41.3513 178.9032 90 H 4.2804 8.2320 117.4520 59.3576 29.9484 176.8859 91 R 3.9490 8.0116 118.7226 59.3219 29.8848 177.3968 92 R 4.0887 7.8332 116.1606 57.0196 29.6524 176.7343 93 E 3.9640 6.1578 124.9382 58.6229 30.3438 177.6263 94 G 4.0487 8.8019 112.3361 45.6712 0.0000 172.4660 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 4 D 8.36 4.69 0.00 2.83 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 5 V 7.75 4.12 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 1.04 0.00 0.00 0.96 0.00 0.00 6 L 9.07 4.14 0.00 1.79 1.78 1.04 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.92 3.93 0.00 1.93 1.89 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.78 7.81 8 N 8.13 4.42 0.00 2.90 2.90 0.00 0.00 7.12 7.40 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 9 I 7.73 3.79 2.16 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.97 1.19 0.00 0.00 10 A 8.73 4.03 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 11 D 8.57 4.34 0.00 2.85 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 12 T 8.14 3.96 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 13 L 7.98 4.13 0.00 1.90 1.94 0.86 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.57 4.02 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 2.31 2.53 0.00 15 A 8.02 4.05 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 16 R 7.52 4.45 0.00 2.10 2.09 0.00 3.22 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.82 0.00 17 R 7.42 3.52 0.00 1.61 1.95 0.00 2.21 0.00 0.00 2.57 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.41 0.00 18 E 7.91 4.62 0.00 1.89 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 2.11 2.11 0.00 19 A 7.47 4.58 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.28 4.23 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 21 P 0.00 4.26 0.00 1.98 2.00 0.00 3.63 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 1.88 0.00 22 Q 7.85 4.34 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 23 S 7.87 4.23 0.00 3.82 4.17 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 24 S 7.50 4.62 0.00 3.91 3.74 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 0.00 0.00 0.00 0.00 25 Y 8.80 4.14 0.00 3.10 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 26 V 7.98 3.15 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 0.80 0.00 0.00 1.19 0.00 0.00 27 A 7.95 4.22 1.51 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 0.00 0.00 28 S 7.86 4.18 0.00 4.11 4.29 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 29 L 7.59 3.76 0.00 1.35 1.29 0.50 0.81 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 30 F 7.48 4.53 0.00 3.27 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 31 H 8.23 4.45 0.00 3.29 3.54 0.00 5.76 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 32 K 8.03 4.12 0.00 1.89 1.83 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.66 7.81 33 G 8.20 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 0.00 0.00 0.00 34 E 8.84 3.11 0.00 1.80 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 35 D 8.02 4.28 0.00 2.68 2.68 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 36 A 7.93 3.97 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 37 I 7.30 3.70 1.77 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 1.26 0.45 0.78 0.00 0.00 38 L 8.14 4.01 0.00 1.76 1.69 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.32 3.90 0.00 1.90 1.85 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.60 7.81 40 K 7.60 3.85 0.00 1.86 1.75 0.00 1.58 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.11 1.22 7.81 41 V 7.79 3.57 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 0.97 0.00 0.00 0.96 0.00 0.00 42 A 8.13 4.00 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 43 E 8.43 3.84 0.00 2.15 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 0.00 2.31 2.36 0.00 44 E 8.49 3.99 0.00 2.06 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 2.56 2.46 0.00 45 A 8.10 4.02 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 46 A 7.89 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.20 4.04 0.00 2.11 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 2.36 2.38 0.00 48 T 7.89 4.07 4.46 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 1.23 0.00 0.00 49 L 7.51 4.00 0.00 1.89 1.68 0.99 1.13 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 *51 A 7.89 4.29 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 52 S 8.17 4.09 0.00 3.89 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 53 K 8.10 3.96 0.00 1.94 1.83 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.46 7.81 54 D 8.08 4.53 0.00 2.72 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 55 K 7.77 3.87 0.00 1.90 1.87 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.40 7.81 56 D 7.54 4.64 0.00 2.66 2.59 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 57 K 8.17 3.82 0.00 1.82 1.86 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.73 7.81 58 L 7.81 4.02 0.00 1.73 1.70 0.91 1.01 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 59 H 8.33 4.26 0.00 3.41 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.09 3.85 0.00 1.77 1.81 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.39 3.51 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 0.87 0.00 0.00 0.90 0.00 0.00 62 R 7.72 3.87 0.00 1.95 1.92 0.00 3.16 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 1.61 1.89 0.00 63 E 8.35 3.90 0.00 1.98 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 0.00 2.22 2.22 0.00 64 V 8.17 3.63 1.88 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 0.71 0.00 0.00 0.95 0.00 0.00 65 A 7.88 3.71 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 66 D 8.12 4.47 0.00 3.03 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 67 L 8.59 4.07 0.00 1.93 2.07 1.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 68 W 8.58 4.35 0.00 3.45 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.68 4.42 0.00 3.09 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 70 H 8.66 4.15 0.00 3.36 3.35 0.00 5.87 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.93 4.19 4.57 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 1.17 0.00 0.00 *73 V 7.75 3.85 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 0.37 0.00 0.00 0.18 0.00 0.00 74 L 8.10 3.93 0.00 1.86 1.91 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.22 4.06 0.00 1.72 1.74 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.02 4.04 4.67 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 1.20 0.00 0.00 77 Y 8.11 4.07 0.00 3.31 3.22 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 0.00 78 H 7.86 4.86 0.00 3.38 3.29 0.00 5.85 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 7.70 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 80 L 7.80 4.90 0.00 1.71 1.76 0.93 0.68 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 81 R 9.15 4.60 0.00 1.94 1.98 0.00 3.02 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 82 P 0.00 4.08 0.00 2.20 2.14 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 83 E 8.28 3.92 0.00 1.91 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 2.33 2.50 0.00 84 D 8.19 4.50 0.00 2.71 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 85 V 7.55 3.72 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 0.93 0.00 0.00 0.85 0.00 0.00 86 V 7.77 3.79 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 1.01 0.00 0.00 0.92 0.00 0.00 *88 E 8.13 4.21 0.00 2.16 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 0.00 2.24 2.37 0.00 89 L 8.07 4.05 0.00 1.90 1.69 0.79 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 90 H 8.23 4.28 0.00 3.10 3.31 0.00 5.79 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.01 3.95 0.00 1.81 2.06 0.00 3.26 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 92 R 7.83 4.09 0.00 2.03 1.75 0.00 3.20 0.00 0.00 3.22 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 93 E 6.16 3.96 0.00 2.00 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 2.36 2.31 0.00 94 G 8.80 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 * Residues marked with a * may have inaccurate shift predictions.