NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 N 4.7328 8.2785 117.7925 52.0592 40.1457 176.1000 1 A 3.9106 8.1880 118.3591 55.1118 18.4423 177.1060 2 S 4.5399 7.7692 110.4317 58.1131 63.8149 177.4976 3 D 4.7279 7.7900 121.5307 53.5176 41.2911 176.9354 4 K 3.8558 8.6719 119.8117 59.8156 31.9773 178.1667 5 F 2.8163 7.8774 119.9411 60.9752 39.2281 176.5568 6 N 3.9728 8.4349 116.2110 56.2518 38.0536 177.3554 7 Q 3.8753 7.7650 118.3380 58.8424 29.1392 178.3586 8 F 4.0812 7.8714 121.4032 61.3852 39.4374 176.9849 9 I 3.1032 7.3856 118.4379 63.9083 37.4618 177.5815 10 N 4.2692 7.4051 115.8327 55.8907 38.3120 177.1252 11 R 3.9613 7.4584 118.9532 57.9582 30.3102 177.6142 12 V 3.9104 7.1366 109.3257 60.7765 33.1751 175.0207 13 L 4.5557 7.3218 120.5549 53.0171 44.2279 175.6671 *33 G 3.8857 8.2274 107.4387 45.4409 0.0000 172.6734 34 I 4.4119 7.7974 120.7718 58.9730 39.0505 176.7867 35 T 4.1527 8.2972 116.2364 61.0414 70.7629 175.0884 36 K 3.8171 8.6332 123.1494 59.9619 32.0874 178.7535 37 R 4.0887 8.1346 117.6192 60.0132 30.1330 178.7078 38 T 3.8461 8.1356 114.6412 66.6304 68.4143 176.5050 39 A 4.0323 8.1466 122.5686 55.4557 18.1465 179.8105 40 Q 4.4284 9.2528 118.5311 58.3890 28.5800 178.3462 41 A 4.2581 8.1385 120.3686 53.5956 18.3743 177.4757 42 N 4.8599 7.2531 113.0912 52.6508 39.8001 174.3806 43 G 3.7664 8.0598 106.8006 48.0953 0.0000 173.9474 *44 Y 4.7260 7.7196 120.4583 54.6122 40.5372 176.2618 *52 T 4.3398 8.1556 108.5271 63.6547 69.5516 175.6141 53 R 4.0418 8.7224 129.1682 60.3027 30.1470 179.3396 54 E 4.1367 8.2636 120.4094 61.7536 29.7887 183.1649 55 Q 4.2942 8.1346 121.0318 60.0253 28.2340 180.4174 56 A 4.2567 8.2119 122.1828 55.1010 18.2853 179.9206 57 I 4.1327 8.1252 118.5894 64.7956 37.1311 178.5936 58 S 4.2752 8.2674 118.0636 62.3191 62.6181 177.6535 59 I 3.7952 7.7045 122.0960 65.4474 35.3099 179.9682 60 Y 4.8417 8.0429 119.0476 61.1768 37.7905 178.9032 61 R 2.9137 8.4339 119.6345 59.0094 30.0523 178.7295 62 K 4.0437 7.7033 116.3094 59.3416 32.1224 179.2894 63 A 3.8208 8.3210 120.0460 54.4947 18.5338 178.2417 64 F 4.9867 8.5605 118.1655 60.2537 40.3047 177.8023 65 W 3.8285 8.0398 126.9259 60.4594 30.9387 178.0872 66 E 3.7873 8.6724 118.7662 59.3631 28.8051 179.0088 67 R 3.5565 7.4841 117.6225 59.2175 29.9960 176.7733 68 Y 4.5354 7.5340 111.7150 56.7629 38.5136 175.8015 69 R 3.3940 7.4423 117.6304 57.1012 28.1928 177.7617 70 A 3.7393 7.0158 119.4251 53.6550 18.6806 179.2962 71 D 3.7830 6.3447 114.4868 55.2544 40.2984 177.2056 72 Q 4.1083 7.1945 121.5602 54.0864 27.6177 174.2854 *74 P 4.2041 0.0000 0.0000 61.8210 34.3260 176.8459 75 E 3.9681 8.8054 122.0564 59.7476 29.7667 179.2725 76 A 4.2931 8.1825 120.0652 55.0875 18.4413 179.6958 77 V 3.5163 7.8414 116.2479 66.2113 31.7016 178.0425 78 A 4.3853 8.3500 120.6876 55.1132 18.1722 179.6110 79 F 4.5372 8.7823 116.7492 61.2110 39.0589 177.9916 80 Q 4.2806 8.4113 117.3357 58.7405 28.4128 178.4660 81 F 4.4678 8.8816 122.3686 61.2812 39.4718 176.7785 82 F 3.3797 8.9324 120.7165 61.2090 39.0868 176.3122 83 D 4.2678 8.4130 117.2828 57.5822 40.8993 178.3141 84 A 4.0124 8.1999 121.0076 55.2269 18.3944 179.3621 85 C 3.8104 8.0443 115.5590 62.9032 27.8844 176.6011 86 V 3.2842 6.8640 118.3655 65.6663 31.0829 177.3489 87 N 4.3601 7.9399 116.0413 56.3217 38.9649 175.7825 88 H 4.9420 8.3041 114.7385 54.0317 31.2066 175.2084 89 G 4.0678 7.5331 108.5462 45.2737 0.0000 174.3621 90 Y 4.0066 8.9493 119.7478 60.9724 38.0868 179.4232 91 G 3.7452 8.3180 106.1308 47.6777 0.0000 175.4621 92 N 4.2514 8.1199 117.3158 56.1624 38.7534 176.8507 93 A 4.2134 7.8741 120.5391 55.1014 18.7840 179.1956 94 A 4.2093 8.4744 119.6262 55.2125 18.4545 181.2428 95 R 4.2088 7.8770 115.9000 56.2424 30.0449 178.8416 *97 L 4.3705 7.9285 122.0222 55.3563 44.0559 178.6210 98 Q 3.9803 8.1763 117.3750 59.0788 29.1156 179.0942 99 R 3.9143 8.4598 116.8971 59.1724 30.3257 178.9743 100 A 4.0096 8.1008 119.2663 55.0550 18.4972 178.0638 101 A 4.1178 8.1562 116.7752 52.6700 18.6883 177.8884 102 G 3.8821 8.0414 103.7959 46.2290 0.0000 173.9733 103 V 4.4935 7.5228 111.2837 57.8636 34.6252 174.1327 104 P 4.2643 0.0000 0.0000 63.4162 31.8937 177.6070 105 D 4.8813 8.4794 125.1126 52.1901 38.0075 175.8274 106 D 4.5911 7.9651 118.5206 53.6845 40.4945 178.4968 107 G 3.9690 8.8512 108.6676 45.5501 0.0000 173.5266 108 V 4.2029 7.8931 119.7455 61.1272 32.4056 175.6203 109 I 4.2027 8.4233 129.5599 59.9839 36.5876 175.0681 110 G 4.3547 7.8260 117.4613 43.7767 0.0000 171.1740 111 A 3.8956 8.6823 119.8504 55.2415 18.4378 180.0275 112 V 3.4943 7.7495 116.1386 66.3899 31.5187 178.1190 113 S 4.0685 7.9903 114.0769 61.7573 62.6632 176.6903 114 L 3.9027 7.8628 121.5427 57.3747 41.0714 179.3713 115 K 3.8123 8.1050 118.9065 59.4946 32.5322 178.3620 116 A 4.1716 7.7478 122.0562 54.7019 18.0976 179.4383 117 I 3.5839 7.7475 117.4609 64.6434 37.3321 177.7897 118 N 4.5917 8.1641 114.5514 54.2674 38.6827 176.6068 119 S 4.4299 7.7858 115.0316 58.2520 63.7868 173.8062 120 L 4.5472 7.0655 122.0194 52.6907 43.1834 175.1077 121 P 4.3346 0.0000 0.0000 62.6245 32.9610 177.3185 122 E 3.9398 8.7711 122.6933 59.6887 29.6678 179.0037 123 N 4.4332 8.1527 115.9225 56.3019 38.6145 177.0410 124 D 4.3588 8.0579 120.0520 57.1744 40.9868 178.3508 125 L 3.9928 8.0337 120.8596 58.1207 42.0887 179.0031 126 L 4.1304 8.0927 118.9787 57.6609 41.5919 179.1211 127 L 3.9854 8.2748 120.5682 58.4572 41.9564 179.3816 128 R 3.9948 8.1188 117.8999 59.1388 29.9140 178.8244 129 F 4.2553 8.8209 120.9790 61.4470 39.3751 176.9522 130 N 4.1706 8.5708 116.0089 56.0467 38.2484 177.1854 131 A 4.0076 8.1260 122.1672 55.2958 18.5146 179.4734 132 E 3.9238 8.4440 117.3751 59.5827 29.4472 179.6526 133 R 3.8451 7.9731 118.7747 59.3295 30.1357 178.5394 134 L 4.3778 8.4720 119.2496 58.0305 41.4631 179.6396 135 V 3.6382 7.8380 116.9442 65.9124 31.8692 177.6387 136 F 4.1772 8.3650 120.3789 61.5526 39.3538 176.6928 137 Y 4.2223 8.6217 119.8411 60.6583 38.3316 177.4218 138 T 4.0689 7.9088 109.8092 63.6025 69.1001 175.9312 139 K 4.1559 7.2440 118.8204 57.7822 33.0261 177.8940 140 L 4.0076 7.4976 120.7981 57.1759 42.3565 176.4073 141 G 3.6605 7.1527 106.4305 44.9155 0.0000 171.1204 142 T 4.6497 8.1057 114.9738 60.2656 69.6449 174.5021 143 F 4.6173 8.5375 123.9761 55.6131 42.0197 175.9404 *147 G 4.0638 8.5874 114.2049 46.2126 0.0000 176.0264 148 K 4.3639 8.3729 124.7268 59.7113 31.7309 183.5531 149 G 3.8794 8.2354 106.7136 47.3392 0.0000 175.0347 150 W 4.1655 8.5472 130.7455 60.5118 30.5452 178.0067 151 V 3.8695 8.4841 117.8033 66.1768 30.8646 178.1334 152 R 3.9177 8.2740 117.8809 59.2703 29.9092 179.1012 153 R 3.8019 8.0812 118.5419 59.3861 30.1903 178.7558 154 V 3.3675 7.6858 117.8671 65.2967 31.3247 177.7799 155 A 3.9617 8.1626 121.2675 55.3030 18.1867 179.6031 156 Q 3.9219 7.7054 116.5071 59.1293 28.7895 178.4467 157 N 4.2766 8.0747 117.5067 56.5322 38.5689 177.4155 158 L 3.9863 7.7353 119.7129 57.8677 41.5693 179.4239 159 I 3.7420 7.3902 119.6032 63.9643 37.1403 177.5199 160 H 4.1722 8.4169 117.6816 59.4880 29.8157 176.9837 161 A 4.1745 8.0459 120.9280 54.4134 18.4977 177.9381 162 S 4.4449 8.1497 117.6334 58.7741 63.2904 173.9711 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 0 N 8.28 4.73 0.00 2.67 2.90 0.00 0.00 6.65 7.33 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 1 A 8.19 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 7.77 4.54 0.00 3.64 3.76 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 0.00 0.00 0.00 0.00 3 D 7.79 4.73 0.00 3.03 2.93 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 K 8.67 3.86 0.00 2.00 2.15 0.00 1.87 0.00 0.00 1.96 0.00 0.00 3.17 0.00 0.00 3.32 0.00 0.00 0.00 0.00 2.02 1.71 7.81 5 F 7.88 2.82 0.00 1.83 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 6 N 8.43 3.97 0.00 2.90 2.79 0.00 0.00 7.10 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 7 Q 7.77 3.88 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.95 0.00 0.00 0.00 0.00 0.00 2.69 2.52 0.00 8 F 7.87 4.08 0.00 2.94 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 9 I 7.39 3.10 0.60 0.00 0.00 0.52 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 0.80 0.40 0.00 0.00 10 N 7.41 4.27 0.00 2.64 2.76 0.00 0.00 7.11 9.01 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 11 R 7.46 3.96 0.00 1.89 1.68 0.00 3.40 0.00 0.00 3.47 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 12 V 7.14 3.91 1.72 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 0.41 0.00 0.00 -0.23 0.00 0.00 13 L 7.32 4.56 0.00 1.37 1.53 1.07 0.97 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 *33 G 8.23 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 34 I 7.80 4.41 1.82 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.54 0.84 0.00 0.00 35 T 8.30 4.15 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 1.25 0.00 0.00 36 K 8.63 3.82 0.00 1.85 1.87 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.55 7.81 37 R 8.13 4.09 0.00 1.93 2.03 0.00 3.23 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 38 T 8.14 3.85 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 1.20 0.00 0.00 39 A 8.15 4.03 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 40 Q 9.25 4.43 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 41 A 8.14 4.26 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 42 N 7.25 4.86 0.00 2.82 2.73 0.00 0.00 6.98 7.53 0.00 0.00 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 G 8.06 3.77 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 0.00 0.00 0.00 *44 Y 7.72 4.73 0.00 2.19 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 0.00 0.00 0.00 0.00 *52 T 8.16 4.34 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 1.25 0.00 0.00 53 R 8.72 4.04 0.00 1.95 1.95 0.00 3.25 0.00 0.00 3.39 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 54 E 8.26 4.14 0.00 2.00 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 2.24 2.19 0.00 55 Q 8.13 4.29 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.00 0.00 56 A 8.21 4.26 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 57 I 8.13 4.13 2.14 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 1.63 0.98 1.13 0.00 0.00 58 S 8.27 4.28 0.00 4.11 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 59 I 7.70 3.80 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 1.52 0.73 0.91 0.00 0.00 60 Y 8.04 4.84 0.00 3.65 3.58 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 61 R 8.43 2.91 0.00 1.52 1.99 0.00 3.06 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.20 0.00 62 K 7.70 4.04 0.00 1.81 1.77 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.66 1.57 7.81 63 A 8.32 3.82 1.09 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 0.00 0.00 64 F 8.56 4.99 0.00 3.83 3.75 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 65 W 8.04 3.83 0.00 3.07 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.67 3.79 0.00 2.15 1.89 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 2.31 2.35 0.00 67 R 7.48 3.56 0.00 1.56 1.61 0.00 2.94 0.00 0.00 2.86 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 68 Y 7.53 4.54 0.00 3.13 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 69 R 7.44 3.39 0.00 1.84 1.73 0.00 3.01 0.00 0.00 3.06 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.42 0.00 70 A 7.02 3.74 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 6.34 3.78 0.00 2.78 2.40 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 72 Q 7.19 4.11 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.45 0.00 0.00 0.00 0.00 0.00 2.24 2.16 0.00 *74 P 0.00 4.20 0.00 2.19 2.20 0.00 3.55 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.12 0.00 75 E 8.81 3.97 0.00 2.16 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 0.00 2.76 2.56 0.00 76 A 8.18 4.29 1.46 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 0.00 0.00 77 V 7.84 3.52 2.16 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 0.82 0.00 0.00 0.91 0.00 0.00 78 A 8.35 4.39 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 79 F 8.78 4.54 0.00 3.38 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 80 Q 8.41 4.28 0.00 2.29 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.68 0.00 81 F 8.88 4.47 0.00 2.80 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.93 3.38 0.00 2.85 3.27 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 83 D 8.41 4.27 0.00 2.97 2.93 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 84 A 8.20 4.01 1.72 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 85 C 8.04 3.81 0.00 2.44 1.80 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 86 V 6.86 3.28 1.68 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 0.69 0.00 0.00 0.14 0.00 0.00 87 N 7.94 4.36 0.00 2.80 2.36 0.00 0.00 7.09 7.40 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 88 H 8.30 4.94 0.00 3.08 3.10 0.00 5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 7.53 4.07 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 0.00 0.00 0.00 90 Y 8.95 4.01 0.00 3.20 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 91 G 8.32 3.75 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 0.00 0.00 0.00 92 N 8.12 4.25 0.00 2.79 2.24 0.00 0.00 6.86 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 93 A 7.87 4.21 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.47 4.21 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 95 R 7.88 4.21 0.00 2.06 2.00 0.00 3.30 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 *97 L 7.93 4.37 0.00 1.50 1.58 0.40 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.18 3.98 0.00 2.31 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.29 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 99 R 8.46 3.91 0.00 1.92 2.15 0.00 3.17 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 100 A 8.10 4.01 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 0.00 101 A 8.16 4.12 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 0.00 102 G 8.04 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 0.00 0.00 0.00 103 V 7.52 4.49 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 0.73 0.00 0.00 0.91 0.00 0.00 104 P 0.00 4.26 0.00 2.04 2.02 0.00 3.67 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 2.03 2.09 0.00 105 D 8.48 4.88 0.00 2.82 2.74 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 0.00 106 D 7.97 4.59 0.00 2.83 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 0.00 107 G 8.85 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 0.00 108 V 7.89 4.20 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 0.81 0.00 0.00 0.95 0.00 0.00 109 I 8.42 4.20 2.03 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 1.32 0.84 0.82 0.00 0.00 110 G 7.83 4.35 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 0.00 111 A 8.68 3.90 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 0.00 112 V 7.75 3.49 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 1.05 0.00 0.00 0.91 0.00 0.00 113 S 7.99 4.07 0.00 3.99 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 0.00 114 L 7.86 3.90 0.00 1.76 1.63 0.86 0.84 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 0.00 115 K 8.11 3.81 0.00 1.80 1.97 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 116 A 7.75 4.17 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 0.00 117 I 7.75 3.58 1.90 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.54 0.79 0.00 0.00 118 N 8.16 4.59 0.00 2.72 2.83 0.00 0.00 7.06 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 0.00 119 S 7.79 4.43 0.00 4.05 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 0.00 120 L 7.07 4.55 0.00 1.62 1.62 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.33 0.00 2.30 1.98 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 122 E 8.77 3.94 0.00 2.05 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 2.41 2.42 0.00 123 N 8.15 4.43 0.00 2.87 3.06 0.00 0.00 7.10 8.08 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 0.00 124 D 8.06 4.36 0.00 2.89 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 0.00 125 L 8.03 3.99 0.00 1.77 1.84 0.91 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.09 4.13 0.00 2.01 1.79 0.99 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.27 3.99 0.00 1.99 1.87 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.12 3.99 0.00 2.12 2.02 0.00 3.21 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 129 F 8.82 4.26 0.00 3.17 3.27 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 0.00 130 N 8.57 4.17 0.00 2.79 2.82 0.00 0.00 6.92 7.37 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 0.00 131 A 8.13 4.01 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 0.00 132 E 8.44 3.92 0.00 2.03 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 2.59 2.53 0.00 133 R 7.97 3.85 0.00 1.54 2.03 0.00 2.87 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.86 0.00 134 L 8.47 4.38 0.00 2.02 1.81 0.95 0.99 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 0.00 135 V 7.84 3.64 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 0.84 0.00 0.00 0.96 0.00 0.00 136 F 8.36 4.18 0.00 3.22 3.23 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 0.00 137 Y 8.62 4.22 0.00 2.96 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.91 4.07 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 0.97 0.00 0.00 139 K 7.24 4.16 0.00 1.90 1.88 0.00 1.44 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.59 1.26 7.81 140 L 7.50 4.01 0.00 1.40 1.45 0.80 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 141 G 7.15 3.66 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 0.00 0.00 0.00 142 T 8.11 4.65 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 1.12 0.00 0.00 143 F 8.54 4.62 0.00 2.98 2.97 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 *147 G 8.59 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 0.00 0.00 0.00 148 K 8.37 4.36 0.00 1.78 1.83 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.07 7.81 149 G 8.24 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 0.00 0.00 0.00 150 W 8.55 4.17 0.00 3.56 3.75 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 0.00 151 V 8.48 3.87 2.39 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 1.12 0.00 0.00 1.15 0.00 0.00 152 R 8.27 3.92 0.00 2.14 1.98 0.00 3.30 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 153 R 8.08 3.80 0.00 1.89 1.82 0.00 2.98 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 154 V 7.69 3.37 1.44 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 0.72 0.00 0.00 -0.26 0.00 0.00 155 A 8.16 3.96 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 0.00 156 Q 7.71 3.92 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 157 N 8.07 4.28 0.00 2.89 2.92 0.00 0.00 7.06 6.62 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 0.00 158 L 7.74 3.99 0.00 1.90 1.71 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 159 I 7.39 3.74 2.00 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 1.39 0.98 0.91 0.00 0.00 160 H 8.42 4.17 0.00 3.22 3.47 0.00 5.76 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 A 8.05 4.17 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 0.00 0.00 162 S 8.15 4.44 0.00 4.08 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 * Residues marked with a * may have inaccurate shift predictions.