NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3243 8.2644 123.5810 52.4702 19.7878 175.9896 2 S 4.2341 8.1733 109.4449 56.8484 64.7565 172.1992 3 A 3.7127 8.4622 127.6307 50.7929 16.2624 178.2632 4 A 5.6903 7.7272 133.8412 51.8599 21.8870 177.9966 5 K 4.4617 6.7568 116.0264 56.1940 31.1173 176.3014 6 G 3.6716 8.7984 121.1747 46.7525 0.0000 177.3230 7 D 3.3700 8.1499 114.1416 51.4910 43.8947 175.4128 8 H 3.4567 9.2938 118.2123 57.5006 28.5975 176.5113 9 G 3.7815 9.1259 107.4696 46.1613 0.0000 173.4233 10 G 3.7136 7.0498 105.6214 45.7741 0.0000 170.8846 *12 G 3.8575 7.5604 106.4543 45.2571 0.0000 172.9161 13 A 4.1443 8.6260 119.3022 55.3015 18.2455 179.9495 14 R 3.9379 8.0534 116.7376 59.8773 30.2638 178.7542 15 T 3.9348 7.9186 115.0544 66.5821 68.5502 176.6253 16 W 4.0708 8.2393 120.6421 59.3117 28.9786 178.6740 17 R 3.9559 8.3590 119.2213 59.0353 29.5086 178.1207 18 F 4.3336 8.4395 120.6095 61.5489 39.3102 177.1940 19 L 3.9951 8.0891 118.5221 57.8337 41.2857 179.6394 20 T 3.7789 7.8859 115.7391 66.8024 68.2257 176.6171 21 F 4.8778 8.1245 117.7913 59.4919 39.2216 177.5962 22 G 4.0991 8.7107 104.4068 45.3027 0.0000 173.4375 23 L 4.4973 7.6806 119.5984 56.2453 44.0504 177.6511 24 A 3.9965 8.1348 120.3632 55.5201 18.1743 179.5373 25 L 3.9945 8.5916 116.7763 57.3988 41.7983 178.2140 26 P 4.2808 0.0000 0.0000 65.5966 31.3030 178.8055 27 S 4.1140 8.2024 114.1621 61.5820 62.7253 176.9173 28 V 3.5741 7.7924 120.7658 65.7444 31.2367 178.0049 29 A 3.9907 8.2068 120.8595 55.0307 18.1879 179.6105 30 L 3.9063 8.0458 117.5224 58.3212 41.7252 179.6948 31 C 4.1586 8.0916 116.4206 62.8919 27.9640 176.3161 32 T 3.5186 7.8509 117.6398 65.9090 67.7172 176.7035 33 L 3.9075 7.5298 121.7654 58.1916 42.5627 177.9602 34 N 4.2847 8.3800 117.3510 56.9151 38.6911 177.0283 35 S 3.9917 7.9980 116.3294 60.8243 63.5145 175.5111 36 W 5.3096 7.7038 121.1294 55.5066 27.4835 175.5668 37 L 4.7850 7.4841 120.4665 57.1182 48.8390 175.4979 38 H 4.8209 8.1713 112.4664 56.3804 29.9941 177.0409 39 S 4.7346 7.3906 117.4844 55.9380 62.0373 173.9754 40 G 3.7942 9.1221 117.8642 44.5664 0.0000 172.5405 41 H 4.1352 8.8789 122.0083 56.3803 29.1390 175.2593 42 R 4.1889 8.4492 120.9472 54.9795 30.4496 175.7829 43 E 3.9410 8.6908 121.9707 55.9182 29.6722 176.6738 44 R 4.0210 8.5164 123.7115 55.6649 29.8256 174.9100 45 P 4.4732 0.0000 0.0000 62.0457 32.1778 175.9401 46 A 4.2268 8.4074 122.2788 52.4083 18.8799 177.0766 47 F 4.6200 8.8611 123.1951 57.6098 40.2553 175.1592 48 I 3.9505 7.2650 127.7379 58.5902 40.3629 174.9457 49 P 4.1352 0.0000 0.0000 62.0568 29.3762 176.3386 50 Y 4.2306 7.0659 117.6032 59.3291 38.8577 177.8664 51 H 4.4622 8.9934 120.4423 57.9337 29.2238 175.7832 52 H 4.7168 8.3172 113.2404 55.3762 28.8986 174.1942 53 L 4.7647 7.0521 118.0917 53.2067 45.0595 175.5404 54 R 3.8660 8.6449 115.2453 57.0800 27.6638 177.3466 55 I 3.8195 7.7630 116.6133 61.8912 37.7419 177.2681 56 R 4.3110 8.1515 123.2027 55.0797 31.3436 174.4256 57 T 4.3102 7.9237 111.9084 61.6934 70.2349 175.5046 58 K 4.3418 7.2364 121.3553 54.2110 35.0487 173.1300 59 P 4.2085 0.0000 0.0000 62.3283 32.1266 176.2045 60 F 3.9040 8.0435 119.6364 57.6799 39.1101 176.3875 61 S 4.5736 8.1337 119.5898 58.0983 62.7112 173.8195 62 W 5.2323 7.8403 116.3749 55.5927 31.9443 175.8480 63 G 3.7168 8.5118 108.3986 47.4310 0.0000 174.0741 64 D 4.5964 8.9360 124.1865 52.7577 39.7036 177.7057 65 G 3.8196 8.4298 108.7110 45.9424 0.0000 174.3064 66 N 4.9461 8.7705 116.3809 53.2503 40.0419 173.4066 67 H 4.8679 8.0962 114.5226 54.4979 30.8906 174.4805 68 T 3.5985 8.3095 113.9060 60.9592 69.5950 174.8745 69 F 3.4569 9.1962 124.4341 60.9194 39.3958 176.6233 70 F 4.7334 8.1040 117.1781 56.4825 39.3402 175.5987 71 H 4.0675 7.9355 120.3483 56.6037 30.4355 173.6260 72 N 4.8003 9.2102 125.6830 51.0117 39.5936 172.6496 73 P 4.3976 0.0000 0.0000 65.7533 31.7424 178.1646 74 R 4.0380 8.1812 117.2957 58.6657 29.9877 177.4062 75 V 4.4306 7.7667 107.1133 60.8024 33.6859 175.0050 76 N 4.8141 8.5565 118.1044 50.6768 38.4002 172.9239 77 P 4.1811 0.0000 0.0000 61.8705 32.4738 176.2543 78 L 4.3801 7.8709 120.1952 52.9905 42.7024 176.2633 79 P 4.4433 0.0000 0.0000 65.6929 31.1350 177.6289 80 T 4.2575 7.5345 105.5085 60.8146 69.3950 173.0638 81 G 2.0000 7.3272 108.9147 43.4807 0.0000 173.1361 82 Y 4.3068 7.5060 116.1650 57.9568 38.2273 176.4680 83 E 4.3911 8.4810 121.9845 55.1542 30.8885 177.1850 84 K 4.1620 8.4499 118.1717 57.0444 32.0640 177.3436 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 1 A 8.26 4.32 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 2 S 8.17 4.23 0.00 3.82 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 3 A 8.46 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 4 A 7.73 5.69 1.30 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 5 K 6.76 4.46 0.00 1.58 0.74 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.29 7.81 6 G 8.80 3.67 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 0.00 0.00 0.00 7 D 8.15 3.37 0.00 2.65 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 8 H 9.29 3.46 0.00 3.46 3.34 0.00 5.87 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 9.13 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 10 G 7.05 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 *12 G 7.56 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 13 A 8.63 4.14 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 14 R 8.05 3.94 0.00 1.94 2.00 0.00 3.21 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 15 T 7.92 3.93 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 0.82 0.00 0.00 16 W 8.24 4.07 0.00 3.46 3.29 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 17 R 8.36 3.96 0.00 2.08 2.18 0.00 3.24 0.00 0.00 3.42 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.80 0.00 18 F 8.44 4.33 0.00 3.28 3.07 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 19 L 8.09 4.00 0.00 1.75 1.59 -0.09 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.89 3.78 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 0.71 0.00 0.00 21 F 8.12 4.88 0.00 3.12 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 22 G 8.71 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.68 4.50 0.00 1.64 1.74 0.90 0.99 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 24 A 8.13 4.00 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 25 L 8.59 3.99 0.00 1.87 1.84 1.10 1.02 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 26 P 0.00 4.28 0.00 2.19 2.13 0.00 3.76 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 27 S 8.20 4.11 0.00 4.05 3.90 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 28 V 7.79 3.57 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 0.99 0.00 0.00 0.99 0.00 0.00 29 A 8.21 3.99 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 30 L 8.05 3.91 0.00 1.85 1.70 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.09 4.16 0.00 2.89 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 32 T 7.85 3.52 4.32 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 0.00 0.00 0.00 1.11 0.00 0.00 33 L 7.53 3.91 0.00 1.84 1.87 0.93 1.02 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 34 N 8.38 4.28 0.00 2.67 2.69 0.00 0.00 7.34 7.05 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 35 S 8.00 3.99 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 36 W 7.70 5.31 0.00 3.32 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 37 L 7.48 4.78 0.00 1.75 1.91 0.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.17 4.82 0.00 3.20 3.37 0.00 5.91 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.39 4.73 0.00 4.16 3.46 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 40 G 9.12 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 0.00 0.00 0.00 0.00 41 H 8.88 4.14 0.00 3.14 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.45 4.19 0.00 1.93 1.96 0.00 3.12 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 43 E 8.69 3.94 0.00 1.95 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 2.28 2.24 0.00 44 R 8.52 4.02 0.00 1.97 1.88 0.00 2.37 0.00 0.00 3.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.29 0.00 45 P 0.00 4.47 0.00 2.32 2.18 0.00 3.92 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.08 0.00 46 A 8.41 4.23 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 47 F 8.86 4.62 0.00 3.06 3.09 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 0.00 48 I 7.27 3.95 1.29 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 1.23 0.63 -0.26 0.00 0.00 49 P 0.00 4.14 0.00 2.01 1.98 0.00 3.31 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 50 Y 7.07 4.23 0.00 2.93 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 51 H 8.99 4.46 0.00 3.23 3.41 0.00 5.69 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.32 4.72 0.00 3.27 3.40 0.00 5.47 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 53 L 7.05 4.76 0.00 1.64 1.59 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.64 3.87 0.00 1.95 2.03 0.00 3.35 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 55 I 7.76 3.82 1.90 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 1.44 0.77 0.90 0.00 0.00 56 R 8.15 4.31 0.00 1.67 1.69 0.00 3.18 0.00 0.00 3.05 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.51 0.00 57 T 7.92 4.31 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 1.18 0.00 0.00 58 K 7.24 4.34 0.00 1.60 1.53 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.20 1.32 7.81 59 P 0.00 4.21 0.00 2.08 1.92 0.00 3.71 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 60 F 8.04 3.90 0.00 2.36 1.45 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 61 S 8.13 4.57 0.00 4.15 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 62 W 7.84 5.23 0.00 3.49 3.40 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 0.00 0.00 0.00 0.00 63 G 8.51 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 0.00 0.00 0.00 64 D 8.94 4.60 0.00 2.81 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 65 G 8.43 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 66 N 8.77 4.95 0.00 2.60 2.86 0.00 0.00 6.99 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 67 H 8.10 4.87 0.00 3.18 3.21 0.00 5.95 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.31 3.60 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 1.30 0.00 0.00 69 F 9.20 3.46 0.00 2.83 3.36 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 70 F 8.10 4.73 0.00 2.96 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 71 H 7.94 4.07 0.00 3.26 3.30 0.00 5.89 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 9.21 4.80 0.00 2.72 2.80 0.00 0.00 6.80 7.30 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 73 P 0.00 4.40 0.00 2.10 2.19 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.20 0.00 74 R 8.18 4.04 0.00 1.87 1.97 0.00 3.30 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 75 V 7.77 4.43 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 0.82 0.00 0.00 0.97 0.00 0.00 76 N 8.56 4.81 0.00 2.66 2.84 0.00 0.00 6.99 8.04 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 77 P 0.00 4.18 0.00 1.42 0.49 0.00 3.73 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.83 0.00 78 L 7.87 4.38 0.00 1.72 1.55 0.80 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.44 0.00 2.04 2.16 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 80 T 7.53 4.26 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 1.21 0.00 0.00 81 G 7.33 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 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.51 4.31 0.00 2.93 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 83 E 8.48 4.39 0.00 2.04 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 2.33 2.38 0.00 84 K 8.45 4.16 0.00 1.73 1.74 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.