NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2642 8.4449 121.4680 55.5830 30.0034 175.9395 3 S 4.1088 8.2478 122.9107 57.4581 64.8253 173.6455 4 L 3.9090 8.6640 125.5161 57.9883 42.2078 179.0073 5 L 3.4181 7.7241 120.0298 58.1780 42.0549 178.6989 6 N 4.3307 7.9725 115.7980 56.2056 38.3839 177.1684 7 R 3.8123 7.8528 120.0399 59.2670 30.1410 178.2440 8 L 3.7856 7.9590 120.4000 58.3016 42.0108 178.3430 9 Y 4.3205 7.5336 116.4712 61.3672 37.7748 178.4265 10 D 4.3393 8.1742 119.2666 57.5946 40.7790 178.9324 11 A 3.9819 7.9492 119.6273 54.8532 18.4299 178.8745 12 L 4.2617 7.9220 115.3899 54.9256 42.1285 178.1294 13 G 3.9594 8.0934 107.3560 45.1037 0.0000 173.9523 14 L 4.0868 7.5856 120.1401 54.6377 42.1483 176.9710 15 D 4.6405 8.1752 121.9762 52.0954 40.8840 173.5302 16 A 4.2735 7.4799 124.8402 49.7385 19.9324 176.5428 17 P 4.1719 0.0000 0.0000 64.9713 31.8317 176.2779 *22 L 4.1956 7.6308 120.3255 54.7043 43.1258 175.4857 23 L 4.7501 8.9493 128.0878 53.4110 44.7014 174.4863 24 I 4.8600 8.4549 126.8853 59.3877 39.8615 174.4526 25 I 4.6224 8.6128 130.1213 59.2225 39.9744 176.4692 26 D 4.5011 8.8928 124.0760 56.1812 40.6818 177.0590 27 D 4.6890 8.2191 118.8100 54.0396 40.7468 176.3579 28 G 3.8253 7.7253 106.6709 46.6317 0.0000 174.4120 29 I 4.5654 7.4621 118.0650 59.0515 41.7950 173.6857 30 Q 4.7578 8.8233 128.2180 54.2481 31.1377 174.4146 31 V 4.5401 8.6509 125.4185 61.4097 33.4726 173.9402 32 Y 4.8693 9.1331 126.1250 56.2809 40.0161 175.1256 33 F 5.2173 8.8440 121.1705 55.7134 41.8520 174.2490 34 N 4.9595 9.4861 122.3244 51.5449 41.4123 174.5247 35 E 5.5607 9.0726 126.3077 55.4515 30.4546 176.2928 36 S 4.4905 8.3397 113.7758 57.6694 64.7666 172.8648 37 D 4.2933 8.8119 117.0675 56.9256 38.0810 173.3938 38 H 4.1307 8.0739 109.3179 56.4563 27.0300 174.7727 39 T 4.9685 7.5830 106.4585 60.1886 72.1334 171.8511 40 L 4.8365 9.4007 125.4103 53.7969 44.1165 174.6752 41 E 5.3652 9.0532 130.0899 53.8502 33.2293 173.6753 *43 C 4.9717 8.3951 114.6043 60.1941 30.2474 173.0178 44 C 5.4324 9.5139 122.8936 56.3818 34.4161 171.1762 45 P 4.9763 0.0000 0.0000 62.8218 31.1744 176.1495 46 F 4.6736 8.3646 119.2962 56.3152 38.6258 173.7051 *48 P 4.2669 0.0000 0.0000 62.0116 32.6185 175.9099 49 L 4.0550 8.0532 124.8566 54.5291 42.2225 175.2234 50 P 4.5401 0.0000 0.0000 62.4433 32.5913 175.6491 51 D 4.8785 8.5347 118.9762 53.9109 41.7551 175.6053 52 D 4.8539 7.8456 119.3137 52.3720 42.9989 176.0201 53 I 3.7037 8.4370 128.2453 64.9010 37.2449 178.1743 54 L 3.9917 7.9552 118.8289 58.1666 41.5945 179.7090 55 T 3.8906 9.1826 116.3148 66.5590 68.5028 176.7930 56 L 4.2136 8.2889 121.1507 58.0996 41.5914 179.6810 57 Q 4.0687 8.5118 118.2966 58.9473 28.5830 178.1836 58 H 4.0159 8.2769 119.4895 59.4498 29.6634 177.4388 59 F 4.2075 7.7748 117.7370 60.3461 38.8785 177.4802 60 L 4.2497 8.0248 118.4576 57.7359 41.3886 179.6688 61 R 3.9116 8.3384 118.5283 59.0448 29.8340 178.7447 62 L 3.9987 7.9005 120.1721 58.1325 41.8098 178.5771 63 N 4.5704 7.7770 115.3392 55.5963 38.5102 176.2511 64 Y 4.4182 8.0832 121.2275 59.7070 38.9798 175.8980 65 T 4.5247 7.8550 105.7536 60.9153 70.0861 173.3789 66 S 4.8090 7.6728 118.2411 56.7812 65.0392 174.2954 67 A 4.1267 8.6891 127.0269 54.9044 18.4599 177.9750 68 V 4.6127 7.7714 116.4359 62.3333 32.3261 176.0816 69 T 4.7738 8.7460 118.8066 60.7534 71.5720 173.3300 70 I 5.0217 9.3649 123.1668 59.9342 39.4584 175.7433 71 G 4.3299 9.3077 112.8706 44.9251 0.0000 170.4333 72 A 5.3041 8.3966 120.1294 49.7015 22.0426 176.4677 73 D 4.4513 8.6921 121.3750 53.0621 40.3077 177.4453 74 A 4.0133 8.6731 122.9068 55.6306 18.4379 178.9159 75 D 4.3724 8.0415 113.3695 55.1050 41.0210 175.7124 76 N 4.2336 8.1498 117.3082 54.9296 38.0446 174.4499 77 T 4.5308 8.2046 106.9146 61.8158 71.4746 173.4955 78 A 4.8589 9.1357 123.1360 50.3978 23.4456 175.1425 79 L 4.5451 7.8784 118.7886 54.0309 43.6200 176.4888 80 V 5.0950 8.6436 115.4299 59.5350 35.7103 174.7510 81 A 5.0136 9.4652 127.1738 51.6821 20.1003 176.4009 82 L 5.2939 9.4509 120.7980 53.5479 46.3271 175.4072 83 Y 4.7958 8.1140 120.6690 57.0412 41.9231 173.3836 84 R 4.8738 8.0142 125.1750 54.5135 33.6240 175.2261 85 L 4.7803 8.4783 120.4506 52.3016 46.5720 174.1624 86 P 4.4769 0.0000 0.0000 62.8034 32.0590 177.1768 87 Q 4.1728 8.8168 123.7004 60.1529 28.7487 179.0871 88 T 4.0233 8.0689 109.4160 62.5519 68.7879 178.4823 89 S 4.4601 7.9694 116.4117 59.7441 63.5409 174.5935 90 T 4.3957 8.8847 114.1975 60.6851 71.4576 175.6270 91 E 3.9614 8.5181 120.8377 59.0971 29.5279 178.2772 92 E 3.9801 8.0847 119.3153 59.2090 29.7690 178.3991 93 E 4.0348 8.0386 118.3652 59.0698 29.4096 179.1655 94 A 4.0116 8.0714 120.9227 55.0475 18.5369 179.1296 95 L 3.9369 7.8697 118.8304 58.8991 42.1197 179.2510 96 T 4.8287 7.4687 116.8389 66.1353 68.3161 176.7187 97 G 3.6153 8.4099 107.5991 47.7517 0.0000 175.3751 98 F 4.2219 8.5843 123.5174 61.1209 39.3108 176.9534 99 E 3.9539 8.4092 118.1318 59.4206 29.2705 179.2160 100 L 3.8447 7.8470 120.2910 57.8239 42.1246 178.5847 101 F 4.0355 8.1778 120.8998 61.5636 39.3270 177.1605 102 I 3.2903 7.3764 119.1914 64.1748 36.7790 178.4270 103 S 3.9522 7.5877 114.0668 61.4929 62.1536 176.0552 104 N 4.2354 7.9371 119.1950 56.1103 37.9742 177.6406 105 V 3.1743 7.1789 118.9542 65.6593 31.7962 177.9303 106 K 4.0090 7.7819 118.3085 59.3259 31.8863 179.0301 107 Q 4.2168 7.7001 121.1168 58.7603 28.7981 178.4916 108 L 4.0141 7.8304 118.6010 56.8890 41.5679 178.5804 109 K 4.4698 7.2735 115.7901 55.5171 32.5636 176.4355 110 E 4.4570 7.7174 120.7571 56.4472 30.4788 176.7158 111 H 4.4183 8.2896 114.4031 56.3261 28.1788 173.4567 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 E 8.44 4.26 0.00 1.91 1.96 0.00 0.00 0.00 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 2.38 0.00 3 S 8.25 4.11 0.00 3.93 3.93 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 4 L 8.66 3.91 0.00 1.75 1.68 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 5 L 7.72 3.42 0.00 1.58 1.48 -0.58 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 6 N 7.97 4.33 0.00 2.90 3.01 0.00 0.00 6.67 7.66 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 7 R 7.85 3.81 0.00 2.03 1.88 0.00 3.13 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 8 L 7.96 3.79 0.00 1.52 1.36 0.79 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 7.53 4.32 0.00 3.13 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 10 D 8.17 4.34 0.00 2.98 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 11 A 7.95 3.98 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 12 L 7.92 4.26 0.00 1.74 1.68 0.10 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.09 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 4.09 0.00 1.56 1.33 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.18 4.64 0.00 2.53 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.48 4.27 0.80 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 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.17 0.00 2.17 2.17 0.00 3.72 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 1.96 1.92 0.00 *22 L 7.63 4.20 0.00 1.65 1.67 -0.21 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.95 4.75 0.00 2.12 1.73 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.45 4.86 1.83 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.02 0.91 0.00 0.00 25 I 8.61 4.62 1.90 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.84 1.04 0.00 0.00 26 D 8.89 4.50 0.00 2.75 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 27 D 8.22 4.69 0.00 2.66 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 28 G 7.73 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 0.00 0.00 0.00 29 I 7.46 4.57 1.83 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.64 0.97 0.00 0.00 30 Q 8.82 4.76 0.00 2.09 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 31 V 8.65 4.54 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 0.61 0.00 0.00 1.09 0.00 0.00 32 Y 9.13 4.87 0.00 2.81 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 33 F 8.84 5.22 0.00 2.96 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 34 N 9.49 4.96 0.00 2.74 2.77 0.00 0.00 6.75 7.19 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 35 E 9.07 5.56 0.00 1.98 1.90 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 2.19 2.22 0.00 36 S 8.34 4.49 0.00 3.99 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 37 D 8.81 4.29 0.00 2.82 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 38 H 8.07 4.13 0.00 3.29 3.31 0.00 5.59 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 39 T 7.58 4.97 4.33 0.00 0.00 0.00 0.00 0.00 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 40 L 9.40 4.84 0.00 1.63 1.55 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 41 E 9.05 5.37 0.00 2.02 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 2.18 2.06 0.00 *43 C 8.40 4.97 0.00 3.06 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.51 5.43 0.00 3.18 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.98 0.00 2.12 2.07 0.00 4.25 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 2.13 2.15 0.00 46 F 8.36 4.67 0.00 3.12 3.10 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 *48 P 0.00 4.27 0.00 1.93 2.00 0.00 3.61 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 1.88 2.03 0.00 49 L 8.05 4.06 0.00 1.58 1.52 0.85 0.92 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 50 P 0.00 4.54 0.00 2.18 2.09 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 51 D 8.53 4.88 0.00 2.63 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 52 D 7.85 4.85 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.44 3.70 1.88 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 1.65 0.56 0.92 0.00 0.00 54 L 7.96 3.99 0.00 1.84 1.71 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 55 T 9.18 3.89 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 56 L 8.29 4.21 0.00 1.89 1.78 1.02 1.16 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 57 Q 8.51 4.07 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 58 H 8.28 4.02 0.00 3.15 3.28 0.00 5.78 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 59 F 7.77 4.21 0.00 3.21 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 60 L 8.02 4.25 0.00 1.91 1.75 0.96 0.88 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 61 R 8.34 3.91 0.00 2.02 1.94 0.00 3.07 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 62 L 7.90 4.00 0.00 1.81 1.93 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 63 N 7.78 4.57 0.00 2.98 2.95 0.00 0.00 6.97 7.31 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 64 Y 8.08 4.42 0.00 2.87 3.12 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 65 T 7.85 4.52 4.26 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 1.32 0.00 0.00 66 S 7.67 4.81 0.00 3.97 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 67 A 8.69 4.13 1.40 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 0.00 0.00 68 V 7.77 4.61 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 1.05 0.00 0.00 0.96 0.00 0.00 69 T 8.75 4.77 4.42 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 1.28 0.00 0.00 70 I 9.36 5.02 2.05 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.33 0.94 0.00 0.00 71 G 9.31 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.40 5.30 1.13 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 0.00 0.00 0.00 73 D 8.69 4.45 0.00 2.67 2.73 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 74 A 8.67 4.01 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 75 D 8.04 4.37 0.00 2.93 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.15 4.23 0.00 2.76 2.84 0.00 0.00 7.03 7.36 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 77 T 8.20 4.53 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 1.23 0.00 0.00 78 A 9.14 4.86 1.06 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 0.00 0.00 0.00 0.00 0.00 79 L 7.88 4.55 0.00 0.50 0.84 -0.04 0.61 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 80 V 8.64 5.09 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 0.66 0.00 0.00 1.00 0.00 0.00 81 A 9.47 5.01 1.19 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 0.00 0.00 0.00 82 L 9.45 5.29 0.00 1.60 1.57 0.97 0.69 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 83 Y 8.11 4.80 0.00 3.08 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 84 R 8.01 4.87 0.00 1.53 1.68 0.00 3.20 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 85 L 8.48 4.78 0.00 1.59 1.48 1.07 0.96 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 86 P 0.00 4.48 0.00 2.10 2.15 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 87 Q 8.82 4.17 0.00 1.99 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.98 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 88 T 8.07 4.02 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 89 S 7.97 4.46 0.00 3.85 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 90 T 8.88 4.40 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 91 E 8.52 3.96 0.00 2.03 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 2.36 2.43 0.00 92 E 8.08 3.98 0.00 2.05 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 2.39 2.35 0.00 93 E 8.04 4.03 0.00 2.23 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 2.36 2.34 0.00 94 A 8.07 4.01 1.36 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 0.00 0.00 95 L 7.87 3.94 0.00 1.97 1.88 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 96 T 7.47 4.83 4.44 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 1.24 0.00 0.00 97 G 8.41 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 F 8.58 4.22 0.00 3.22 3.34 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 99 E 8.41 3.95 0.00 2.25 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 2.44 2.66 0.00 100 L 7.85 3.84 0.00 1.65 1.55 0.85 0.80 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 0.00 101 F 8.18 4.04 0.00 2.89 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 0.00 102 I 7.38 3.29 1.56 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.05 0.77 0.00 0.00 103 S 7.59 3.95 0.00 3.75 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 0.00 104 N 7.94 4.24 0.00 2.83 2.68 0.00 0.00 6.70 7.82 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 0.00 105 V 7.18 3.17 1.79 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 0.63 0.00 0.00 0.10 0.00 0.00 106 K 7.78 4.01 0.00 1.93 1.77 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.59 7.81 107 Q 7.70 4.22 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 108 L 7.83 4.01 0.00 1.27 1.02 0.16 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 109 K 7.27 4.47 0.00 1.81 1.86 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.66 7.81 110 E 7.72 4.46 0.00 2.07 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 0.00 2.31 2.46 0.00 111 H 8.29 4.42 0.00 3.24 3.20 0.00 5.56 0.00 0.00 0.00 0.00 6.91 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.