NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.5053 8.3231 116.7844 58.0844 65.7463 174.1971 9 G 3.8851 6.8614 110.5010 44.2052 0.0000 172.7022 10 K 4.4097 10.0745 130.4005 58.0525 34.8036 174.9639 11 R 3.6629 7.1875 120.5437 55.4746 27.4375 176.6601 12 P 4.4567 0.0000 0.0000 64.8290 32.1537 176.2426 13 I 4.4881 7.4102 119.5047 60.5605 37.5210 176.6599 14 V 4.4990 8.0277 116.6576 59.9305 34.7006 177.2256 15 A 4.4605 8.2971 121.9609 50.8475 17.4897 180.0771 16 N 4.2282 8.2409 119.4317 55.3953 38.9918 172.9815 17 S 4.7597 8.3835 112.8849 57.1248 65.7880 173.7194 18 I 4.9548 7.7408 118.7545 60.2051 36.3720 174.9532 19 Q 4.3584 8.0262 121.8005 56.3329 30.6049 177.5146 20 R 4.8867 8.3403 117.0422 55.5708 31.9850 176.5454 21 R 4.4749 8.7371 119.9954 53.5385 30.1674 174.9159 22 G 4.1394 8.4237 110.5099 46.3261 0.0000 170.6958 23 K 4.5903 9.1980 120.0063 54.8878 35.6768 174.8632 24 A 4.9275 8.5756 127.1236 49.6526 20.6561 176.3301 25 K 4.3916 8.3075 123.7632 55.7262 32.4957 176.2118 26 R 4.1975 7.8529 114.0388 55.9638 29.8452 174.2303 27 E 4.4102 8.6479 115.7780 56.2748 31.7710 176.4750 28 G 4.2340 7.1226 110.2955 46.8232 0.0000 176.0243 29 G 4.0129 8.4152 107.4715 45.2067 0.0000 173.7345 30 V 4.4483 7.3561 119.4642 61.8308 32.0926 175.9556 31 G 3.9654 7.1847 114.4298 45.2251 0.0000 176.6492 32 K 4.5528 7.4588 123.0452 55.1330 34.9251 174.6354 33 K 4.5657 8.5344 126.7763 59.3163 33.3739 175.6869 34 T 4.4773 7.9768 112.1408 62.5337 69.9308 172.6033 35 T 4.6029 7.5671 115.4661 60.7145 72.1823 172.0831 36 G 4.2901 8.4277 110.4015 44.6866 0.0000 173.5283 37 I 3.9468 8.8390 127.6598 64.3831 37.8946 175.9026 38 S 4.6903 7.4130 113.4396 59.6285 66.5766 175.0508 39 K 5.3390 8.3152 115.5241 57.5802 34.6121 173.8551 40 R 4.6719 7.9992 120.3925 54.4408 34.6175 173.9403 41 R 4.2366 8.5618 120.1339 56.7857 29.9066 176.5387 42 Q 4.3423 8.5874 128.3044 56.2550 31.6027 175.3233 43 Y 4.9525 8.2821 116.6857 56.8188 39.9779 172.1806 44 P 4.4297 0.0000 0.0000 60.8972 31.0687 176.6241 45 N 4.2582 8.7056 126.8995 56.1348 35.8965 177.2411 46 L 3.3775 7.3285 116.2171 56.1993 38.3388 175.3359 47 Q 3.5322 7.3160 125.0287 56.1280 27.6175 176.6647 48 K 4.4284 8.3198 128.0941 55.8425 34.4964 174.8290 49 V 4.6370 7.3235 119.5136 61.8995 32.8501 170.1562 50 R 4.9861 7.9790 122.7511 54.6037 32.4859 175.2607 51 V 3.9927 9.4336 121.4529 62.4364 34.2029 174.9960 52 R 4.2214 9.4586 128.2457 54.7064 29.9275 179.9540 53 V 3.3989 9.1567 121.7391 61.4887 31.7937 170.9504 54 A 4.8878 8.0335 120.7472 50.6952 21.6641 176.1200 55 G 4.1401 8.4305 109.3628 45.5296 0.0000 172.2642 56 Q 4.5588 7.3617 117.0484 55.9533 33.5940 172.0577 57 E 4.7139 7.6158 121.4920 55.7865 28.8936 175.2302 58 I 4.4792 7.9293 124.8088 59.5528 41.3692 173.5393 59 T 4.9776 8.4460 118.3292 60.2944 70.0057 172.9134 60 F 4.7008 8.9615 124.8996 55.1385 43.5788 175.3920 61 R 4.8096 7.9427 123.0000 57.3294 30.3640 175.5433 62 V 3.6804 7.5537 115.6298 59.3873 34.8664 176.4831 63 A 3.9909 9.2145 123.7567 53.4258 17.1882 177.4960 64 A 4.4088 8.8924 127.8954 52.2302 22.2269 179.2353 65 S 4.1637 7.1091 110.8133 61.9916 63.1409 175.6915 66 H 4.5549 8.1010 113.2050 55.7360 28.2945 177.0700 67 I 3.6522 7.8256 125.1947 64.6617 36.9857 175.5934 68 P 4.3304 0.0000 0.0000 65.8313 30.8737 180.0190 69 K 4.6354 7.9515 118.4388 58.1721 33.6855 176.9260 70 V 3.4113 7.4658 115.4766 66.1914 30.9763 177.2071 71 Y 3.9199 8.4552 119.6731 60.8404 38.2743 178.6698 72 E 4.1193 8.0965 120.5679 59.1427 29.7396 178.2561 73 L 3.9342 7.9992 117.7316 57.9998 41.6464 179.4281 74 V 3.5974 7.5975 117.4681 65.6878 32.6756 177.4039 75 E 4.3011 8.0401 117.9559 56.4425 26.8266 176.8661 76 R 4.4760 7.8039 122.5422 56.1762 30.2753 179.6317 77 A 4.2516 8.5236 125.6225 53.5100 16.0411 177.7858 78 K 4.5886 7.8432 126.2739 56.7894 33.4465 177.8450 79 G 3.9903 8.1312 104.0220 46.0748 0.0000 171.7171 80 L 4.8024 7.7911 120.6787 53.1153 45.0240 176.1322 81 K 4.4384 8.2110 120.4796 54.9972 36.2055 177.8532 82 L 3.5843 7.1306 118.7977 55.8242 39.0179 174.2858 83 E 4.4545 8.0564 123.4100 54.2062 31.8541 176.4279 84 G 4.2661 8.5189 111.2872 46.3375 0.0000 174.3840 85 L 3.8219 7.4960 119.9969 52.2020 41.3371 177.0726 86 S 3.8002 7.2413 114.3144 58.8069 62.4312 170.0373 87 P 4.7669 0.0000 0.0000 64.1099 32.6172 177.2694 88 K 3.8485 8.0084 118.4238 58.0187 32.2902 177.2709 89 E 4.4533 8.0584 116.2255 57.1200 30.4449 177.0934 90 I 4.3439 9.5070 120.3782 62.7740 38.5636 177.7104 91 K 4.0197 7.9024 118.5966 59.4733 31.9206 179.1436 92 K 4.1993 7.9101 116.1082 57.7445 31.9341 177.1985 93 E 4.6112 7.4976 116.0547 55.5758 30.1914 175.6706 94 L 4.3823 8.7794 121.8300 53.8862 43.2023 176.5748 95 L 4.0259 8.2488 124.4352 55.3721 41.9161 178.4258 *96 K 4.1215 8.4190 119.7572 55.4014 32.3453 171.4612 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 8 S 8.32 4.51 0.00 3.85 3.99 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 0.00 0.00 0.00 9 G 6.86 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 10 K 10.07 4.41 0.00 1.93 1.90 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.12 1.20 7.81 11 R 7.19 3.66 0.00 2.03 1.73 0.00 3.14 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 12 P 0.00 4.46 0.00 2.15 2.16 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 13 I 7.41 4.49 1.69 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.68 0.86 0.00 0.00 14 V 8.03 4.50 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 0.67 0.00 0.00 0.92 0.00 0.00 15 A 8.30 4.46 0.95 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 16 N 8.24 4.23 0.00 2.65 2.67 0.00 0.00 5.77 7.64 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 17 S 8.38 4.76 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 18 I 7.74 4.95 1.97 0.00 0.00 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 1.77 0.76 1.14 0.00 0.00 19 Q 8.03 4.36 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 20 R 8.34 4.89 0.00 1.84 2.11 0.00 3.15 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 21 R 8.74 4.47 0.00 1.85 1.82 0.00 3.28 0.00 0.00 3.18 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 22 G 8.42 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 23 K 9.20 4.59 0.00 1.82 1.70 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.53 7.81 24 A 8.58 4.93 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 25 K 8.31 4.39 0.00 1.74 1.77 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.34 7.81 26 R 7.85 4.20 0.00 1.93 2.00 0.00 3.07 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 27 E 8.65 4.41 0.00 2.37 1.66 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 2.19 2.26 0.00 28 G 7.12 4.23 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 0.00 29 G 8.42 4.01 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 0.00 0.00 0.00 30 V 7.36 4.45 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 0.82 0.00 0.00 0.99 0.00 0.00 31 G 7.18 3.97 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 0.00 0.00 0.00 32 K 7.46 4.55 0.00 1.89 1.58 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.38 7.81 33 K 8.53 4.57 0.00 1.79 1.66 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.42 7.81 34 T 7.98 4.48 4.39 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 1.21 0.00 0.00 35 T 7.57 4.60 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 36 G 8.43 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 0.00 0.00 0.00 37 I 8.84 3.95 1.87 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 1.11 0.45 0.91 0.00 0.00 38 S 7.41 4.69 0.00 3.85 3.69 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 39 K 8.32 5.34 0.00 1.75 1.78 0.00 1.20 0.00 0.00 2.29 0.00 0.00 2.72 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.23 1.13 7.81 40 R 8.00 4.67 0.00 1.85 1.75 0.00 3.17 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 41 R 8.56 4.24 0.00 1.73 1.91 0.00 3.44 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 42 Q 8.59 4.34 0.00 2.03 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.97 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 43 Y 8.28 4.95 0.00 2.82 2.82 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 44 P 0.00 4.43 0.00 2.08 2.23 0.00 3.95 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 45 N 8.71 4.26 0.00 2.67 2.74 0.00 0.00 7.28 7.85 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 46 L 7.33 3.38 0.00 1.72 1.79 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 7.32 3.53 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 48 K 8.32 4.43 0.00 1.71 1.73 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.48 7.81 49 V 7.32 4.64 2.10 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 0.83 0.00 0.00 0.94 0.00 0.00 50 R 7.98 4.99 0.00 1.93 1.88 0.00 3.04 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 51 V 9.43 3.99 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 0.88 0.00 0.00 0.97 0.00 0.00 52 R 9.46 4.22 0.00 1.74 1.76 0.00 3.39 0.00 0.00 3.95 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 53 V 9.16 3.40 1.65 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 0.29 0.00 0.00 0.38 0.00 0.00 54 A 8.03 4.89 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 55 G 8.43 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.36 4.56 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.63 0.00 0.00 0.00 0.00 0.00 2.16 2.37 0.00 57 E 7.62 4.71 0.00 2.09 2.13 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 2.10 1.98 0.00 58 I 7.93 4.48 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.83 1.14 0.00 0.00 59 T 8.45 4.98 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 1.21 0.00 0.00 60 F 8.96 4.70 0.00 3.25 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 61 R 7.94 4.81 0.00 1.71 1.82 0.00 3.26 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 62 V 7.55 3.68 2.25 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 0.89 0.00 0.00 1.02 0.00 0.00 63 A 9.21 3.99 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 64 A 8.89 4.41 1.33 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 65 S 7.11 4.16 0.00 4.08 4.06 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 66 H 8.10 4.55 0.00 3.22 3.37 0.00 5.68 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.83 3.65 1.93 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 1.62 1.35 1.00 0.00 0.00 68 P 0.00 4.33 0.00 2.30 2.30 0.00 3.83 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 2.12 2.07 0.00 69 K 7.95 4.64 0.00 1.96 1.95 0.00 1.55 0.00 0.00 1.53 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.55 7.81 70 V 7.47 3.41 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 0.10 0.00 0.00 0.98 0.00 0.00 71 Y 8.46 3.92 0.00 3.10 3.06 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 72 E 8.10 4.12 0.00 2.09 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 2.31 2.36 0.00 73 L 8.00 3.93 0.00 1.77 1.78 1.09 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.60 3.60 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 0.84 0.00 0.00 0.53 0.00 0.00 75 E 8.04 4.30 0.00 2.05 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 0.00 2.76 2.54 0.00 76 R 7.80 4.48 0.00 1.78 1.26 0.00 3.36 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.54 0.00 77 A 8.52 4.25 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 78 K 7.84 4.59 0.00 1.69 1.76 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.45 7.81 79 G 8.13 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.79 4.80 0.00 1.60 1.55 0.93 0.94 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 81 K 8.21 4.44 0.00 1.68 1.67 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.40 7.81 82 L 7.13 3.58 0.00 1.64 1.79 0.92 0.81 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 83 E 8.06 4.45 0.00 2.01 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 2.28 2.40 0.00 84 G 8.52 4.27 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 0.00 85 L 7.50 3.82 0.00 1.90 1.55 0.96 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 86 S 7.24 3.80 0.00 4.01 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 87 P 0.00 4.77 0.00 2.12 2.27 0.00 3.98 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 1.91 1.87 0.00 88 K 8.01 3.85 0.00 1.93 2.08 0.00 1.47 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.44 7.81 89 E 8.06 4.45 0.00 2.11 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 0.00 2.30 2.29 0.00 90 I 9.51 4.34 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.44 0.95 0.00 0.00 91 K 7.90 4.02 0.00 1.77 1.83 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.33 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.50 1.67 7.81 92 K 7.91 4.20 0.00 1.89 1.86 0.00 1.51 0.00 0.00 1.94 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.49 7.81 93 E 7.50 4.61 0.00 1.98 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 2.44 2.38 0.00 94 L 8.78 4.38 0.00 1.79 1.98 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.25 4.03 0.00 1.67 1.65 0.92 0.84 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 *96 K 8.42 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.