NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.2388 8.2549 120.8585 55.4884 32.0671 175.7754 7 P 4.1163 0.0000 0.0000 61.6763 31.7402 173.8260 8 K 4.3932 8.5079 120.7304 54.7021 34.6842 175.2545 9 V 4.3488 8.2780 126.4031 61.9159 32.9620 175.4160 10 T 4.6924 8.4413 116.0007 59.3341 72.7377 175.0721 11 K 3.8448 8.6356 121.8556 59.8638 31.9247 178.8082 12 S 4.0727 7.9711 112.8264 61.3925 62.4275 175.5318 13 D 4.3577 7.8573 121.2301 57.5124 40.5697 178.8098 14 I 3.6696 7.9289 120.2939 64.5538 37.2026 178.5554 15 V 3.6395 7.8673 118.8490 66.1197 31.2206 177.8976 16 D 4.3378 8.0841 118.6410 57.4454 40.7106 178.7257 17 Q 4.0022 8.3396 118.9459 59.0388 28.6030 178.9325 18 I 3.8357 8.2996 121.0862 63.8960 37.0175 178.3556 19 A 3.9434 7.7069 121.3479 55.5516 18.2421 179.1145 20 L 3.8548 8.1228 117.4663 57.6591 41.4289 179.1199 21 N 4.1169 8.5783 117.8132 57.2219 39.2079 176.7996 22 I 3.8417 7.9953 121.0661 64.3811 37.1982 178.6265 23 K 4.7390 7.9746 120.5960 58.6682 31.7044 178.9675 24 N 4.3925 8.4331 116.5326 55.1455 39.0015 175.0707 25 N 4.8333 7.6211 118.0284 55.2426 39.3926 174.7847 26 N 4.1464 7.9453 111.4726 54.3039 37.1916 174.5332 27 L 4.8654 7.1929 117.2816 52.9139 46.3755 176.4318 28 K 4.7494 8.5099 119.4712 54.5779 34.9930 175.7883 29 L 4.8450 8.3031 124.7977 52.8276 45.2782 175.6100 30 E 3.9726 8.7571 125.3805 55.9223 30.1273 177.8979 31 K 3.7578 8.7363 123.0424 59.5133 31.9330 178.9466 32 K 3.7223 7.7195 119.2545 60.0323 31.9733 178.3154 33 Y 4.4168 7.3752 116.5983 60.8382 37.6741 178.6455 34 I 3.6979 7.5795 120.5228 64.5016 37.3790 178.2438 35 R 3.9153 8.3344 119.3221 59.1819 29.8859 178.7433 36 L 3.9343 7.9454 119.9090 58.1987 42.0976 179.0655 37 V 3.5687 8.0022 118.1168 66.2855 31.5299 177.7069 38 I 3.4336 7.7893 119.4014 64.7747 36.8869 178.1546 39 D 4.5192 8.2705 119.1711 57.3886 40.6695 178.7125 40 A 4.0162 8.2299 121.3334 54.7647 18.3189 179.3622 41 F 3.9781 8.7266 119.7460 61.6034 39.3974 177.4151 42 F 4.1940 7.9403 117.1310 60.5546 38.7177 177.1490 43 E 3.9706 8.4144 118.2519 59.9678 29.3751 179.4221 44 E 3.9484 8.5653 118.4911 59.3893 29.4019 179.4095 45 L 3.8118 7.6765 120.3834 57.6867 42.0331 179.0989 46 K 3.9516 8.1905 118.8696 59.5542 32.1156 179.3876 47 S 4.1678 8.0188 114.4394 61.6843 62.7880 176.2049 48 N 4.3398 8.1187 119.9495 56.0185 38.2464 177.4161 49 L 4.0461 8.1540 120.6570 58.0095 41.5167 179.2026 50 C 4.2318 8.3011 116.0806 62.9098 28.1544 175.7208 51 S 4.2938 7.9665 113.2207 57.9743 63.0451 173.3903 52 N 4.1442 8.2246 119.7611 54.7835 37.3601 172.5742 53 N 4.8917 7.8891 114.5624 51.9639 41.6249 175.8448 54 V 4.5152 8.1409 118.8151 61.5514 33.8844 174.5049 55 I 4.2862 8.4308 129.0216 59.7537 38.9778 174.3752 56 E 4.7409 8.4400 127.5311 54.4593 31.9562 175.7481 57 F 4.9871 8.6516 126.2383 55.2408 39.6635 172.9816 58 R 3.6237 8.1767 117.8905 56.2551 30.3986 176.5504 59 S 3.7111 8.6782 116.5024 57.6309 60.2263 169.1972 60 F 4.5782 7.5242 130.4345 56.9399 44.2651 174.0294 61 G 3.9519 6.5045 109.3217 45.5609 0.0000 170.5942 62 T 5.3795 7.6499 115.6785 61.7325 72.5235 173.5452 63 F 5.5289 9.3167 124.1288 56.1926 41.9765 174.4950 64 E 5.1121 8.8893 117.9970 55.9967 33.2591 174.0855 65 V 4.8218 8.4551 120.3161 61.6602 33.2242 175.0514 66 R 4.7989 9.0294 125.9317 54.2871 33.7815 175.0851 67 K 4.5871 8.5209 120.9799 56.0370 33.8610 176.6528 68 R 4.5535 8.5776 121.4209 54.2528 34.1460 174.9180 69 K 4.6425 8.2541 123.9238 55.9020 32.9014 177.5192 70 G 4.4872 8.7651 111.5447 45.9364 0.0000 171.5947 71 R 4.8417 8.1440 117.2191 55.2637 35.0012 176.1702 72 L 4.5168 8.4624 116.6519 56.2914 44.2271 178.9805 73 N 4.6593 8.4126 114.0278 55.2220 38.8655 174.8520 74 A 4.0329 7.2634 119.1940 52.3525 19.5175 176.5764 75 R 4.7028 8.2117 119.3782 54.3972 33.8864 174.7527 76 N 4.5508 8.4895 124.3674 52.0679 38.7427 173.7237 77 P 4.2128 0.0000 0.0000 65.9370 31.8638 178.2680 78 Q 4.1002 8.3036 116.4512 58.8693 28.6698 177.4347 79 T 4.2412 8.1267 105.0272 61.1472 70.0272 175.7235 80 G 3.9107 8.6364 110.2151 44.8838 0.0000 173.3785 81 E 4.1835 7.8851 120.4075 56.4610 30.4116 176.2258 82 Y 4.2589 9.1192 123.0832 58.3488 38.3666 176.0444 83 V 4.5779 9.0171 124.0952 59.7467 34.4705 174.7123 84 K 4.8352 8.5512 122.6695 54.9104 34.2747 175.5063 85 V 4.4531 8.6589 125.9665 61.1859 34.6185 174.8126 86 L 4.6869 8.5792 127.3463 53.9335 42.8501 176.3241 87 D 4.8180 8.6489 121.3557 55.3779 41.8785 175.3463 88 H 5.2589 8.9801 119.2119 54.7300 32.1193 171.6470 89 H 5.5304 8.9837 113.5693 54.5689 32.3578 173.5776 90 V 4.7056 9.0446 119.2163 59.9228 35.2482 174.1423 91 A 4.7031 8.7235 124.4521 51.9225 19.5617 176.1506 92 Y 4.6525 9.3075 124.0211 55.6490 42.2011 173.7482 93 F 4.8238 8.2008 128.5568 56.4578 41.2437 174.6960 94 R 4.1791 8.5311 128.4174 53.4974 31.2553 172.6345 95 P 4.0234 0.0000 0.0000 62.6655 32.0027 176.3947 96 G 3.8008 8.3307 110.3632 44.7695 0.0000 173.7093 97 K 3.9126 8.9435 119.3093 59.9671 31.8589 177.5519 98 D 4.3912 8.2230 117.0206 57.5920 41.2055 178.6455 99 L 3.9378 7.9177 119.6802 58.2698 42.0917 178.6797 100 K 4.0062 8.8258 119.9734 59.5181 31.7934 178.2344 101 E 4.1777 8.3413 118.0941 58.7081 29.7531 178.6375 102 R 4.1498 8.1967 117.0855 58.1446 30.2523 178.0854 103 V 4.0929 7.4757 116.3622 64.0095 32.1301 176.6898 104 W 4.5141 7.8975 127.6430 59.7042 31.1487 177.0143 105 G 4.0403 8.0277 114.8689 44.0079 0.0000 171.9489 106 I 4.5615 7.7637 127.6600 59.5542 40.6720 176.7986 *107 K 4.1994 8.6131 123.9551 54.9330 31.5994 175.8744 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 6 R 8.25 4.24 0.00 1.76 2.02 0.00 3.27 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 7 P 0.00 4.12 0.00 2.16 1.99 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 8 K 8.51 4.39 0.00 1.65 1.67 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.37 7.81 9 V 8.28 4.35 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 0.90 0.00 0.00 0.94 0.00 0.00 10 T 8.44 4.69 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 1.21 0.00 0.00 11 K 8.64 3.84 0.00 1.93 1.91 0.00 1.96 0.00 0.00 1.99 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.64 7.81 12 S 7.97 4.07 0.00 3.93 3.84 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 13 D 7.86 4.36 0.00 2.87 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 14 I 7.93 3.67 2.02 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 1.62 0.89 0.88 0.00 0.00 15 V 7.87 3.64 2.29 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 1.01 0.00 0.00 1.01 0.00 0.00 16 D 8.08 4.34 0.00 3.02 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 17 Q 8.34 4.00 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 18 I 8.30 3.84 1.96 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 1.37 0.78 0.85 0.00 0.00 19 A 7.71 3.94 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 L 8.12 3.85 0.00 1.89 1.67 0.91 0.43 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 21 N 8.58 4.12 0.00 2.67 3.04 0.00 0.00 7.41 7.90 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 22 I 8.00 3.84 2.08 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.60 0.95 0.00 0.00 23 K 7.97 4.74 0.00 1.91 1.84 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.67 1.47 7.81 24 N 8.43 4.39 0.00 2.82 2.90 0.00 0.00 6.89 7.65 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 25 N 7.62 4.83 0.00 2.65 2.78 0.00 0.00 7.25 7.89 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 26 N 7.95 4.15 0.00 2.78 2.86 0.00 0.00 6.59 7.21 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 27 L 7.19 4.87 0.00 1.85 1.49 0.92 0.60 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 28 K 8.51 4.75 0.00 1.70 1.69 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.39 7.81 29 L 8.30 4.85 0.00 1.56 1.51 1.17 1.06 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 30 E 8.76 3.97 0.00 1.16 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 2.14 2.23 0.00 31 K 8.74 3.76 0.00 1.70 1.83 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.47 7.81 32 K 7.72 3.72 0.00 1.57 1.16 0.00 1.58 0.00 0.00 1.44 0.00 0.00 3.21 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.49 7.81 33 Y 7.38 4.42 0.00 3.07 2.89 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 34 I 7.58 3.70 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.80 0.87 0.00 0.00 35 R 8.33 3.92 0.00 1.97 2.01 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 36 L 7.95 3.93 0.00 1.94 1.89 0.96 1.01 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 37 V 8.00 3.57 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 0.91 0.00 0.00 1.01 0.00 0.00 38 I 7.79 3.43 2.01 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.87 0.85 0.00 0.00 39 D 8.27 4.52 0.00 2.90 2.78 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 40 A 8.23 4.02 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 41 F 8.73 3.98 0.00 2.95 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 42 F 7.94 4.19 0.00 3.32 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 43 E 8.41 3.97 0.00 2.27 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 0.00 2.37 2.52 0.00 44 E 8.57 3.95 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 2.52 2.46 0.00 45 L 7.68 3.81 0.00 1.24 1.51 0.73 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.19 3.95 0.00 2.11 1.84 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.45 7.81 47 S 8.02 4.17 0.00 4.06 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 48 N 8.12 4.34 0.00 3.02 2.89 0.00 0.00 7.02 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.15 4.05 0.00 1.87 1.78 1.09 1.35 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 50 C 8.30 4.23 0.00 3.06 3.01 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 51 S 7.97 4.29 0.00 3.99 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 52 N 8.22 4.14 0.00 2.73 2.83 0.00 0.00 7.05 7.70 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 53 N 7.89 4.89 0.00 2.81 2.75 0.00 0.00 6.52 7.70 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 54 V 8.14 4.52 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 0.90 0.00 0.00 0.95 0.00 0.00 55 I 8.43 4.29 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.40 0.37 0.00 0.00 56 E 8.44 4.74 0.00 1.91 1.73 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 2.20 2.34 0.00 57 F 8.65 4.99 0.00 3.58 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 58 R 8.18 3.62 0.00 1.91 1.94 0.00 3.56 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 59 S 8.68 3.71 0.00 4.01 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 60 F 7.52 4.58 0.00 3.12 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 61 G 6.50 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 62 T 7.65 5.38 4.22 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 1.34 0.00 0.00 63 F 9.32 5.53 0.00 3.16 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 64 E 8.89 5.11 0.00 2.08 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 0.00 2.29 2.29 0.00 65 V 8.46 4.82 2.37 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 0.88 0.00 0.00 1.03 0.00 0.00 66 R 9.03 4.80 0.00 1.72 1.67 0.00 2.67 0.00 0.00 2.72 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.49 0.00 67 K 8.52 4.59 0.00 1.57 1.60 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.23 1.47 7.81 68 R 8.58 4.55 0.00 1.27 1.66 0.00 3.28 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.67 0.00 69 K 8.25 4.64 0.00 1.63 1.75 0.00 1.82 0.00 0.00 1.10 0.00 0.00 2.73 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.23 7.81 70 G 8.77 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.84 0.00 1.73 1.90 0.00 3.07 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 72 L 8.46 4.52 0.00 1.73 1.71 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.41 4.66 0.00 2.74 2.90 0.00 0.00 6.80 7.35 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 74 A 7.26 4.03 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 75 R 8.21 4.70 0.00 1.47 1.61 0.00 3.08 0.00 0.00 3.06 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.39 0.00 76 N 8.49 4.55 0.00 2.75 2.69 0.00 0.00 7.21 7.57 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 77 P 0.00 4.21 0.00 2.06 2.10 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 78 Q 8.30 4.10 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 79 T 8.13 4.24 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 1.21 0.00 0.00 80 G 8.64 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 81 E 7.89 4.18 0.00 2.00 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 2.36 2.32 0.00 82 Y 9.12 4.26 0.00 2.81 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 83 V 9.02 4.58 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 0.67 0.00 0.00 0.93 0.00 0.00 84 K 8.55 4.84 0.00 1.78 1.73 0.00 1.95 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.48 7.81 85 V 8.66 4.45 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 0.96 0.00 0.00 0.91 0.00 0.00 86 L 8.58 4.69 0.00 1.58 1.59 0.93 1.11 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 87 D 8.65 4.82 0.00 2.68 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 88 H 8.98 5.26 0.00 3.19 3.38 0.00 5.20 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 H 8.98 5.53 0.00 3.05 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 9.04 4.71 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 1.05 0.00 0.00 1.02 0.00 0.00 91 A 8.72 4.70 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 92 Y 9.31 4.65 0.00 3.10 2.78 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 93 F 8.20 4.82 0.00 2.58 2.62 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 94 R 8.53 4.18 0.00 1.93 1.67 0.00 3.27 0.00 0.00 3.09 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 95 P 0.00 4.02 0.00 1.86 1.93 0.00 3.49 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 96 G 8.33 3.80 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 0.00 97 K 8.94 3.91 0.00 1.83 1.83 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.52 7.81 98 D 8.22 4.39 0.00 2.89 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 99 L 7.92 3.94 0.00 1.72 1.79 0.89 0.09 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 0.00 100 K 8.83 4.01 0.00 1.87 2.04 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.59 1.70 7.81 101 E 8.34 4.18 0.00 1.98 1.97 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 2.25 2.60 0.00 102 R 8.20 4.15 0.00 1.83 2.04 0.00 3.25 0.00 0.00 3.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 103 V 7.48 4.09 2.27 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 0.82 0.00 0.00 0.96 0.00 0.00 104 W 7.90 4.51 0.00 3.63 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 0.00 105 G 8.03 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 0.00 0.00 0.00 106 I 7.76 4.56 1.94 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 1.29 0.83 0.90 0.00 0.00 *107 K 8.61 4.20 0.00 1.77 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.