NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1118 8.1633 120.7152 55.2280 33.9589 173.8419 2 R 4.9563 9.1307 119.0680 52.7139 34.1755 169.7057 3 V 4.9680 8.7655 121.8786 60.0286 35.8804 173.9963 4 V 4.8700 8.9181 123.5765 61.5527 33.5195 174.1370 5 I 4.9467 9.1085 129.7028 59.8815 39.3135 174.8304 6 Q 5.1412 9.0412 125.6519 53.9995 32.6200 174.4911 7 R 4.6586 8.6791 124.6379 55.9583 31.4273 175.4786 8 V 5.0028 9.3877 119.7193 59.6779 34.8958 176.9258 9 K 4.1781 8.9485 123.5705 59.2015 32.8116 177.0466 10 G 4.6692 7.8619 104.4194 45.2635 0.0000 172.3936 11 A 5.0901 8.5679 120.5690 50.9346 23.3425 175.3890 12 I 4.7627 8.9420 124.3557 59.3476 40.1562 174.3283 13 L 5.1419 8.8246 129.4827 53.4700 44.2005 175.3220 14 S 5.3114 9.4644 121.6208 56.9100 67.2861 173.1587 15 V 4.8772 8.3946 114.0196 59.4710 36.2160 175.0596 16 R 4.3696 8.5341 120.8627 55.6951 30.5667 176.4406 *27 L 4.5972 8.2623 122.3939 54.5660 43.2517 176.1198 28 E 4.7239 9.3872 120.5035 54.3517 32.8963 174.8851 29 I 4.4718 8.6356 125.3819 61.5527 37.1842 175.6969 30 I 4.4706 8.7115 120.0126 61.2175 39.3792 175.7205 31 S 4.7793 7.7895 117.5370 57.5422 67.5593 172.5026 32 E 5.2245 8.4293 121.4212 55.2329 32.4838 174.0744 33 I 5.0013 8.8621 119.4749 58.0083 41.7393 176.7993 34 K 4.6493 9.8188 127.1161 55.8571 30.5547 179.9407 35 N 4.6175 8.4356 126.0538 53.8776 39.3237 174.2881 36 G 4.1635 7.0873 108.1737 45.3724 0.0000 171.4663 37 L 5.2756 8.4031 122.2791 52.9805 45.0488 175.5177 38 I 4.5618 8.6729 123.9072 59.6070 40.2033 173.9632 39 C 5.0404 9.1735 127.5535 57.9588 30.9352 173.3027 40 F 5.0038 9.0415 124.7518 56.7010 39.8357 174.9680 41 L 4.9940 9.9424 129.0048 53.4578 43.8239 175.1684 42 G 4.5364 9.7228 115.6612 45.0994 0.0000 171.7937 43 I 5.0877 8.6883 126.3245 59.7847 39.1379 175.1078 44 H 3.7707 9.8003 128.2827 54.8301 30.5020 175.3458 45 K 3.9242 7.7375 123.9838 59.4956 32.5283 177.7373 46 N 4.9336 8.0161 116.1508 52.5608 38.9392 174.5161 47 D 4.9142 7.8284 117.6702 53.6402 42.2230 177.2249 48 T 4.7336 8.9254 114.3977 60.3381 71.4231 174.7742 49 W 4.2953 8.8187 128.8885 60.3220 30.5388 178.3782 50 E 3.9011 8.3210 118.5648 59.5213 29.0274 178.6796 51 D 4.3233 7.8365 117.1446 57.3535 40.9295 178.5067 52 A 3.8665 7.5211 120.7317 55.1300 18.2252 179.2793 53 L 3.3722 7.1797 117.0925 58.1129 41.7792 179.0446 54 Y 3.8318 8.0729 119.3214 60.9473 38.4815 178.5802 55 I 3.7233 7.7319 120.0306 64.4620 37.2977 178.1920 56 I 3.1610 7.3885 120.5228 64.4931 36.6857 178.2080 57 R 3.7312 8.4206 119.8799 59.5129 29.7255 178.5567 58 K 3.9164 7.5996 117.4614 59.2669 31.9622 179.1479 59 C 4.2346 8.1656 116.4267 62.9014 28.1698 175.8630 60 L 4.1627 8.3039 120.5246 56.8885 41.0737 178.2466 61 N 4.7059 7.5738 113.8493 52.2303 39.4490 175.4582 62 L 4.0058 7.6806 122.2648 54.8536 42.1212 176.5995 63 R 4.5963 8.4713 122.9494 55.0955 29.3160 175.6143 64 L 4.7740 8.2775 120.0047 53.7110 42.7260 176.5783 65 W 4.4908 7.8894 118.9650 54.5175 31.7183 175.0533 66 N 4.6808 8.3811 119.7066 52.7779 36.8971 174.6674 67 N 4.1594 8.8432 123.3841 53.6665 37.8845 174.4619 68 D 4.2479 9.1212 117.9904 56.0466 38.7879 172.4851 69 N 4.7229 8.7775 131.2152 53.6177 38.5479 174.7166 70 K 4.1169 7.4801 120.9716 56.3764 31.5123 176.4255 71 T 4.1639 8.3841 114.9891 62.1738 69.7759 174.4670 72 W 3.5087 8.3391 124.5820 57.5422 26.3775 172.8150 73 D 4.7380 9.2709 117.1330 54.4823 43.9533 175.9364 74 K 4.9207 7.9389 116.8896 54.4727 36.0142 175.7056 75 N 5.7710 8.6523 119.5362 51.4404 40.0172 175.8011 76 V 3.5672 7.8248 109.5623 65.0515 32.1894 178.8415 77 K 3.6457 8.0174 118.7602 59.6117 32.0518 178.4196 78 D 4.2890 7.9132 117.2332 57.8340 40.7211 178.1065 79 L 3.7255 7.3036 115.0278 54.2162 41.4266 176.7802 80 N 4.3841 7.8964 115.2030 53.6366 37.8773 173.3125 81 Y 4.7289 7.5940 114.2414 57.8367 39.1824 174.8321 82 E 4.9501 8.8013 119.4629 55.3365 32.4835 175.5170 83 L 5.2880 8.9142 121.1037 52.9484 45.5162 175.3867 84 L 4.8887 8.8949 126.0759 53.6255 43.7766 174.8508 85 I 4.7163 8.3299 127.9012 59.7719 39.2514 175.0406 86 V 4.5487 8.9473 126.7265 60.9253 34.8148 174.2483 87 S 5.0378 8.8044 122.9458 58.4692 62.9178 173.4376 88 Q 4.5666 9.1661 127.7049 53.6347 29.7825 176.3232 89 F 4.4690 8.8557 120.7353 59.6347 38.5310 178.1990 90 T 3.8028 6.8420 111.0948 64.0153 68.6142 176.0305 91 L 4.1268 7.4243 121.7441 57.5137 41.6276 177.8449 92 F 4.4835 8.4397 115.1816 57.0540 38.9882 175.6277 93 G 3.4214 8.4747 111.2132 45.6742 0.0000 173.0292 94 N 4.5457 8.6424 126.3591 53.1416 39.4644 175.4550 95 T 4.6559 8.1741 114.4754 61.3357 69.7778 175.1671 96 K 4.1071 9.0808 124.7254 59.7988 32.1171 178.5696 97 K 4.1615 7.8007 116.3256 57.3516 32.6446 176.0785 98 G 3.9273 7.1769 105.2444 45.5159 0.0000 172.6598 99 N 4.4188 8.7949 115.2086 53.8522 38.8767 175.3249 100 K 4.3623 7.7020 120.2693 53.6558 32.6273 173.8747 101 P 4.8682 0.0000 0.0000 61.8819 32.2343 175.2766 102 D 4.7436 8.1238 120.7328 51.5544 41.5943 176.4299 103 F 5.1067 8.3683 120.1432 57.4661 40.0007 177.6024 104 H 4.3343 8.5269 118.1795 58.4891 29.1291 176.6049 105 L 3.7765 7.6407 119.5102 57.1331 41.7266 176.9834 106 A 4.0256 7.2705 119.9156 51.1497 18.9478 177.7229 107 K 3.9127 8.3718 123.4332 56.1181 33.1860 176.4489 108 E 3.9600 8.8033 127.6430 55.9236 30.3673 175.4746 109 P 4.3421 0.0000 0.0000 66.2521 30.7053 178.5880 110 N 4.4034 8.2022 114.3852 56.3675 38.5642 177.3091 111 E 4.2511 9.2270 120.2736 59.2740 29.5580 179.1554 112 A 4.1456 8.0886 120.8953 54.9614 18.3538 179.2361 113 L 2.5649 7.4550 118.8625 58.2057 42.1083 179.3692 114 I 3.7241 7.2144 119.9593 64.1449 37.0145 178.1972 115 F 4.0320 8.3899 121.5938 61.5052 39.2172 176.5284 116 Y 4.2974 8.7310 119.3418 61.0726 38.6593 177.8708 117 N 4.3446 8.7793 117.7535 56.0382 38.5497 177.5398 118 K 3.8840 8.1723 120.0526 59.5563 32.0953 179.3982 119 I 3.8153 7.7756 119.9752 64.4026 37.0180 178.5518 120 I 3.8112 8.0114 121.0482 64.6573 36.9011 178.2711 121 D 4.4087 8.2916 119.6769 57.3270 40.5110 178.5251 122 E 4.0186 8.4342 120.0130 58.9741 29.5970 178.7924 123 F 4.1275 8.3896 118.0359 60.5473 39.1232 177.2963 124 K 3.8622 8.3079 117.9669 59.7308 31.7342 178.9473 125 K 3.9938 8.4238 118.4942 59.9686 32.2076 178.4732 126 Q 4.2614 8.4265 116.7040 57.1705 28.8874 175.5399 127 Y 4.6756 8.2040 117.4971 56.7180 40.6185 174.7834 128 N 4.2248 5.8348 116.7944 52.8310 42.2323 174.4237 129 D 4.6190 8.7376 126.4455 55.3073 40.0115 177.0907 130 D 4.3419 8.0499 119.3057 56.8213 41.3856 176.4962 131 K 4.3651 8.3367 116.3736 56.0803 33.4796 176.2117 132 I 4.7227 7.5822 121.3615 59.5786 38.6306 175.2893 133 K 4.6059 8.6892 127.3319 55.3264 34.4113 175.6920 134 I 5.0618 7.5157 114.1461 58.8678 41.2429 173.2591 135 G 4.3291 7.9946 108.9086 44.8854 0.0000 173.0508 136 K 4.4832 8.4891 121.0128 54.9782 32.1523 176.8163 137 F 3.9090 9.1188 126.8997 61.3413 39.1577 176.6700 138 G 3.6194 8.0385 106.7265 46.4903 0.0000 173.4060 139 N 4.7589 7.4023 117.3403 51.7870 39.8097 174.3642 140 Y 4.0967 8.4976 121.2618 58.3855 39.3380 175.3670 141 M 4.8398 7.4556 125.3021 53.4191 35.7092 174.1016 142 N 4.7457 8.7676 121.7764 52.2300 41.2188 173.8145 143 I 4.9614 8.1055 125.6077 59.7412 40.7498 174.5236 144 D 4.6661 8.9373 128.7966 53.6461 41.8014 175.8784 145 V 4.7296 8.3878 123.5913 61.3140 34.3991 175.0218 146 T 4.3830 8.7778 125.1428 62.4021 69.3637 173.7254 147 N 4.9256 8.6828 125.2399 52.9465 39.3397 175.3035 148 D 4.3081 10.2631 126.2441 54.4654 40.1182 173.9356 149 G 3.6197 8.7538 116.9655 44.4926 0.0000 170.5061 150 P 4.4079 0.0000 0.0000 61.4691 32.7121 175.7068 151 V 4.4906 8.1476 117.6194 61.5607 34.4266 173.9666 152 T 5.1688 8.7379 124.1736 61.8519 71.4147 173.3359 153 I 4.5465 8.9574 127.6319 59.5924 40.0256 173.8335 154 Y 5.1297 8.6812 127.7273 56.0002 40.7408 174.6935 155 I 4.4518 7.8028 126.1351 59.3676 41.4137 173.6367 156 D 5.0865 8.3936 125.9967 52.2196 43.1703 175.4081 157 T 3.9002 8.8506 115.1559 62.0177 69.1633 174.4813 158 H 5.0187 8.0736 118.9003 56.0604 29.7585 173.4389 159 D 4.5630 8.1877 123.9030 54.5111 40.9431 176.8094 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 M 8.16 5.11 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.13 4.96 0.00 1.39 1.60 0.00 2.21 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.18 0.00 3 V 8.77 4.97 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 0.73 0.00 0.00 1.07 0.00 0.00 4 V 8.92 4.87 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 1.10 0.00 0.00 1.10 0.00 0.00 5 I 9.11 4.95 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.64 0.92 0.00 0.00 6 Q 9.04 5.14 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 7 R 8.68 4.66 0.00 1.75 1.86 0.00 2.21 0.00 0.00 2.57 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.06 0.00 8 V 9.39 5.00 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 0.71 0.00 0.00 1.02 0.00 0.00 9 K 8.95 4.18 0.00 1.65 1.83 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.54 7.81 10 G 7.86 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 0.00 0.00 0.00 0.00 11 A 8.57 5.09 1.20 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 0.00 0.00 0.00 12 I 8.94 4.76 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 0.94 0.91 0.00 0.00 13 L 8.82 5.14 0.00 1.69 1.50 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.46 5.31 0.00 3.75 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 15 V 8.39 4.88 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 0.78 0.00 0.00 1.02 0.00 0.00 16 R 8.53 4.37 0.00 1.85 1.89 0.00 3.10 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 *27 L 8.26 4.60 0.00 1.59 1.68 0.98 1.04 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 28 E 9.39 4.72 0.00 1.94 2.01 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 2.20 2.29 0.00 29 I 8.64 4.47 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 1.41 0.55 1.01 0.00 0.00 30 I 8.71 4.47 1.90 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 1.25 0.53 1.00 0.00 0.00 31 S 7.79 4.78 0.00 3.75 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 32 E 8.43 5.22 0.00 1.93 1.75 0.00 0.00 0.00 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 2.29 0.00 33 I 8.86 5.00 1.93 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 1.19 0.64 0.88 0.00 0.00 34 K 9.82 4.65 0.00 1.69 0.89 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 35 N 8.44 4.62 0.00 1.44 1.42 0.00 0.00 6.73 7.61 0.00 0.00 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 G 7.09 4.16 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 0.00 0.00 0.00 37 L 8.40 5.28 0.00 1.66 1.59 1.05 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.67 4.56 1.76 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 1.45 0.97 0.00 0.00 39 C 9.17 5.04 0.00 2.71 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 9.04 5.00 0.00 3.00 2.99 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 41 L 9.94 4.99 0.00 1.91 1.84 1.29 1.08 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 42 G 9.72 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.69 5.09 2.01 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.09 0.70 0.00 0.00 44 H 9.80 3.77 0.00 2.97 3.40 0.00 5.76 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.74 3.92 0.00 1.81 1.74 0.00 1.57 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.12 1.32 7.81 46 N 8.02 4.93 0.00 2.77 2.87 0.00 0.00 6.88 8.06 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 47 D 7.83 4.91 0.00 2.55 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.93 4.73 4.40 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 1.30 0.00 0.00 49 W 8.82 4.30 0.00 3.37 3.13 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 50 E 8.32 3.90 0.00 2.04 2.01 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 2.49 2.40 0.00 51 D 7.84 4.32 0.00 3.04 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 52 A 7.52 3.87 0.74 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 0.00 0.00 53 L 7.18 3.37 0.00 1.51 1.51 0.27 0.57 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 54 Y 8.07 3.83 0.00 3.15 3.11 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 0.00 0.00 0.00 55 I 7.73 3.72 2.04 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 1.84 0.88 1.04 0.00 0.00 56 I 7.39 3.16 1.50 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.13 0.07 0.00 0.00 57 R 8.42 3.73 0.00 1.79 1.76 0.00 2.98 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 1.45 1.55 0.00 58 K 7.60 3.92 0.00 1.87 1.75 0.00 1.62 0.00 0.00 1.46 0.00 0.00 2.47 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.06 1.35 7.81 59 C 8.17 4.23 0.00 3.28 3.17 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 60 L 8.30 4.16 0.00 1.71 1.60 0.96 0.61 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 61 N 7.57 4.71 0.00 2.77 2.80 0.00 0.00 7.05 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 62 L 7.68 4.01 0.00 1.76 1.60 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.47 4.60 0.00 1.88 1.92 0.00 3.45 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 64 L 8.28 4.77 0.00 0.44 1.20 0.74 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 65 W 7.89 4.49 0.00 3.42 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 66 N 8.38 4.68 0.00 2.60 2.74 0.00 0.00 6.95 8.00 0.00 0.00 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 N 8.84 4.16 0.00 2.79 2.97 0.00 0.00 6.82 8.29 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 68 D 9.12 4.25 0.00 2.73 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 69 N 8.78 4.72 0.00 2.91 2.97 0.00 0.00 7.28 6.68 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 70 K 7.48 4.12 0.00 2.03 1.88 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.39 7.81 71 T 8.38 4.16 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 1.30 0.00 0.00 72 W 8.34 3.51 0.00 3.45 3.28 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 0.00 73 D 9.27 4.74 0.00 2.77 2.65 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 0.00 0.00 0.00 0.00 74 K 7.94 4.92 0.00 1.83 1.62 0.00 1.74 0.00 0.00 1.93 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.28 7.81 75 N 8.65 5.77 0.00 3.17 3.11 0.00 0.00 6.89 6.95 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 76 V 7.82 3.57 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 1.03 0.00 0.00 1.02 0.00 0.00 77 K 8.02 3.65 0.00 1.79 1.69 0.00 1.53 0.00 0.00 1.49 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.30 1.17 7.81 78 D 7.91 4.29 0.00 2.86 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 79 L 7.30 3.73 0.00 0.27 0.13 0.07 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.90 4.38 0.00 2.76 2.84 0.00 0.00 7.18 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 81 Y 7.59 4.73 0.00 2.66 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 82 E 8.80 4.95 0.00 1.95 1.86 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 2.25 2.29 0.00 83 L 8.91 5.29 0.00 1.42 1.36 1.11 0.39 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 84 L 8.89 4.89 0.00 1.66 1.42 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.33 4.72 1.82 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.37 1.00 0.00 0.00 86 V 8.95 4.55 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 0.99 0.00 0.00 0.74 0.00 0.00 87 S 8.80 5.04 0.00 3.54 3.49 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 88 Q 9.17 4.57 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 89 F 8.86 4.47 0.00 3.29 3.30 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 90 T 6.84 3.80 4.08 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 0.00 0.00 0.17 0.00 0.00 91 L 7.42 4.13 0.00 1.76 1.54 1.05 0.82 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 92 F 8.44 4.48 0.00 3.41 3.19 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 93 G 8.47 3.42 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 0.00 94 N 8.64 4.55 0.00 2.85 2.94 0.00 0.00 6.39 7.17 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 95 T 8.17 4.66 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 1.19 0.00 0.00 96 K 9.08 4.11 0.00 1.79 1.90 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.42 7.81 97 K 7.80 4.16 0.00 1.71 1.84 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.41 7.81 98 G 7.18 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 0.00 0.00 0.00 99 N 8.79 4.42 0.00 2.72 2.87 0.00 0.00 6.69 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.70 4.36 0.00 1.70 1.71 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.44 7.81 101 P 0.00 4.87 0.00 1.58 1.88 0.00 3.41 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.97 0.00 102 D 8.12 4.74 0.00 2.87 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 0.00 103 F 8.37 5.11 0.00 3.22 3.35 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 0.00 104 H 8.53 4.33 0.00 3.29 3.45 0.00 5.54 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.64 3.78 0.00 1.74 1.68 0.81 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.27 4.03 1.47 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 0.00 0.00 107 K 8.37 3.91 0.00 1.76 1.65 0.00 1.60 0.00 0.00 1.24 0.00 0.00 2.69 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.26 7.81 108 E 8.80 3.96 0.00 2.03 1.77 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 2.37 2.28 0.00 109 P 0.00 4.34 0.00 2.19 2.13 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 110 N 8.20 4.40 0.00 2.94 2.87 0.00 0.00 7.10 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 0.00 111 E 9.23 4.25 0.00 2.21 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 2.36 2.34 0.00 112 A 8.09 4.15 1.62 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 0.00 113 L 7.45 2.56 0.00 0.79 1.57 0.46 0.93 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 0.00 114 I 7.21 3.72 1.91 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 1.39 0.74 0.89 0.00 0.00 115 F 8.39 4.03 0.00 3.37 3.39 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 0.00 116 Y 8.73 4.30 0.00 3.27 3.19 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 0.00 117 N 8.78 4.34 0.00 2.75 2.86 0.00 0.00 7.08 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 0.00 118 K 8.17 3.88 0.00 1.93 1.52 0.00 1.34 0.00 0.00 0.79 0.00 0.00 2.48 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.17 1.49 7.81 119 I 7.78 3.82 2.11 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 1.40 0.77 1.05 0.00 0.00 120 I 8.01 3.81 1.88 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.47 0.88 0.00 0.00 121 D 8.29 4.41 0.00 2.90 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 0.00 122 E 8.43 4.02 0.00 2.48 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 2.19 0.00 123 F 8.39 4.13 0.00 3.33 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 0.00 124 K 8.31 3.86 0.00 2.06 1.91 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.65 7.81 125 K 8.42 3.99 0.00 1.82 2.08 0.00 1.84 0.00 0.00 1.92 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.52 7.81 126 Q 8.43 4.26 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 127 Y 8.20 4.68 0.00 2.95 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 0.00 128 N 5.83 4.22 0.00 1.73 1.73 0.00 0.00 7.22 8.37 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 0.00 129 D 8.74 4.62 0.00 2.81 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 0.00 130 D 8.05 4.34 0.00 2.55 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.34 4.37 0.00 1.19 1.74 0.00 2.04 0.00 0.00 1.61 0.00 0.00 2.76 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.10 1.11 7.81 132 I 7.58 4.72 1.87 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.07 0.80 0.00 0.00 133 K 8.69 4.61 0.00 1.67 1.71 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.38 1.63 7.81 134 I 7.52 5.06 2.14 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.56 0.93 0.00 0.00 135 G 7.99 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 0.00 136 K 8.49 4.48 0.00 1.82 1.81 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.40 7.81 137 F 9.12 3.91 0.00 2.83 3.11 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 0.00 0.00 0.00 138 G 8.04 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 0.00 139 N 7.40 4.76 0.00 2.71 2.81 0.00 0.00 6.90 7.32 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 0.00 140 Y 8.50 4.10 0.00 2.94 2.90 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 0.00 141 M 7.46 4.84 0.00 1.77 1.74 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 142 N 8.77 4.75 0.00 2.97 2.70 0.00 0.00 6.72 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 0.00 143 I 8.11 4.96 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 1.33 0.75 0.93 0.00 0.00 144 D 8.94 4.67 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.39 4.73 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 0.86 0.00 0.00 1.00 0.00 0.00 146 T 8.78 4.38 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 1.21 0.00 0.00 147 N 8.68 4.93 0.00 2.63 2.80 0.00 0.00 7.04 8.06 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 0.00 148 D 10.26 4.31 0.00 2.74 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 0.00 149 G 8.75 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 0.00 150 P 0.00 4.41 0.00 2.22 2.10 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 151 V 8.15 4.49 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 1.20 0.00 0.00 0.97 0.00 0.00 152 T 8.74 5.17 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 1.27 0.00 0.00 153 I 8.96 4.55 1.89 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 1.13 1.04 0.91 0.00 0.00 154 Y 8.68 5.13 0.00 2.95 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 0.00 155 I 7.80 4.45 1.77 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 1.10 0.55 0.97 0.00 0.00 156 D 8.39 5.09 0.00 2.66 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 0.00 157 T 8.85 3.90 3.85 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 1.24 0.00 0.00 158 H 8.07 5.02 0.00 3.26 3.25 0.00 5.65 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.19 4.56 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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.