NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.3818 8.1400 114.8169 57.9750 64.5051 173.9373 2 L 4.1289 8.4371 120.5901 56.7916 41.5803 176.8889 3 L 4.0076 8.4171 120.8864 58.3910 42.4967 178.4054 4 E 4.0863 8.0036 117.8431 59.3260 29.4463 178.8621 5 F 4.6637 8.5778 120.8826 61.5271 39.4981 177.3533 6 G 3.5595 8.8625 105.8038 47.5968 0.0000 175.5774 7 K 4.0325 8.0411 121.5315 59.5996 32.2215 178.8253 8 M 4.2255 8.2667 118.9682 58.4995 31.7887 178.7379 9 I 3.5770 7.9193 120.1818 64.2926 37.2556 178.2666 10 L 4.3495 7.9343 122.3747 57.8225 41.7279 178.8726 11 E 4.0055 8.2449 117.4841 59.2109 29.4537 178.5733 12 E 4.3199 8.3309 117.6652 57.7195 30.0200 177.7451 13 T 4.5269 8.2502 107.6991 60.5058 70.6999 175.4504 14 G 3.7881 8.1430 109.7494 45.7342 0.0000 173.1599 *16 K 4.4851 7.4049 117.6207 56.1268 33.5604 174.5898 17 L 4.4663 8.0655 120.6274 53.6161 43.0208 177.4676 18 A 4.0221 8.8675 126.9059 54.9225 18.3353 177.1187 19 I 4.7294 7.7023 115.5033 59.2772 38.5379 173.8199 20 P 5.3090 0.0000 0.0000 61.9344 32.0827 177.3991 21 S 4.0676 7.7505 115.0650 60.8471 62.7302 174.7919 22 Y 4.5551 8.2472 115.3891 57.3913 38.7878 176.0718 23 S 4.3579 7.9375 114.0313 58.3132 64.9110 173.9424 24 S 4.9782 7.5137 115.4294 56.9651 62.6262 172.1133 25 Y 4.8132 8.4683 123.0658 56.7081 42.5144 175.1172 26 G 3.3551 7.9975 117.2035 46.3236 0.0000 172.5758 27 C 4.4376 8.8727 114.1530 58.4023 40.9309 174.5534 28 Y 4.2970 8.7322 115.0739 58.0711 39.4758 175.6668 29 C 4.7242 8.4650 118.0633 56.6168 39.8417 173.2434 30 G 3.3913 6.6748 118.1397 44.8169 0.0000 171.2696 31 W 4.9470 8.0292 126.5906 54.6214 32.7183 174.0347 32 G 4.1578 9.1949 104.8270 46.2179 0.0000 174.1891 33 G 3.8265 8.2062 107.1675 45.2928 0.0000 173.6337 34 K 4.3713 7.6121 119.9938 56.5276 35.1182 176.0289 35 G 4.2746 9.0804 106.9354 44.6029 0.0000 172.0145 36 T 4.4195 8.0426 115.3802 60.9528 69.8087 172.9853 37 P 4.5721 0.0000 0.0000 63.2551 31.8306 176.7307 38 K 3.9369 9.1029 122.5443 58.8549 32.4403 176.2323 39 D 4.4473 7.1842 115.5652 51.4719 41.7708 175.0117 40 A 3.9837 8.7972 119.6724 56.1611 18.2619 179.9737 41 T 3.9526 7.9770 113.6856 66.9364 68.5649 176.2507 42 D 4.5185 8.9901 120.3425 57.4497 41.1107 178.5370 43 R 4.0018 8.2671 118.8781 59.1859 29.9984 178.2547 44 C 4.2882 8.3187 116.5336 60.3743 41.2409 175.5955 45 C 4.4012 8.3526 117.6364 59.8229 40.4133 175.8473 46 F 3.7008 8.3092 122.3490 61.2985 38.8478 177.3623 47 V 3.2571 8.0612 118.0658 66.0340 31.2528 177.3892 48 H 3.7731 8.0753 118.0099 59.1914 29.5571 177.0132 49 D 4.1659 7.9947 120.7032 57.5740 40.4304 178.1736 50 C 4.0666 7.4796 115.8158 59.7895 34.6279 175.0788 51 C 4.2657 8.0379 120.4102 59.9881 42.5227 175.3352 52 Y 4.2805 7.9329 118.4095 60.9993 37.1584 178.6911 53 G 3.6963 8.1201 106.2024 47.5734 0.0000 174.4986 54 N 4.6948 7.7378 115.5844 53.2946 39.9852 175.1582 55 L 4.8387 7.7029 120.2096 52.7805 41.9305 175.1666 56 P 4.1917 0.0000 0.0000 65.7659 32.2246 178.3830 *59 D 4.9191 7.8867 116.3875 54.3234 42.6021 175.2211 *61 C 5.2993 7.5260 116.1611 57.1858 37.2657 172.7427 *67 N 4.9542 7.9551 115.6753 52.4930 38.2816 173.2521 68 P 4.1288 0.0000 0.0000 65.1793 31.8261 178.8444 69 K 4.0576 8.1172 118.2148 58.4760 32.2124 177.1104 70 S 4.5895 7.7993 109.7632 57.7747 64.4895 173.5623 71 D 4.4895 8.5503 121.8763 54.0951 39.8817 176.3392 72 R 4.4050 8.2822 123.6302 55.9149 31.1980 175.1840 73 Y 4.8577 7.5420 116.6417 56.1637 40.5617 173.4658 74 K 4.9935 8.7138 118.7919 55.3683 35.6146 174.6147 75 Y 5.2312 8.3942 119.2600 55.5951 41.5809 173.5546 76 K 4.5947 9.1482 118.9382 55.4948 37.1548 174.7123 77 R 5.1788 8.5362 118.8073 54.4485 32.0888 176.0970 78 V 4.2669 8.7360 124.1549 61.9812 33.8296 174.8665 79 N 4.1809 9.8217 125.5187 54.7275 37.1473 175.0360 80 G 3.9185 8.5070 102.9534 45.2262 0.0000 173.7098 81 A 4.8619 7.7096 121.7176 49.8399 22.1408 176.1999 82 I 4.4066 8.2833 120.9096 61.3186 38.2548 175.7804 83 V 4.3427 9.1685 127.0783 61.1848 34.1923 173.8324 84 C 4.9691 8.8908 126.3053 56.2225 40.2552 173.6618 85 E 4.3156 8.4812 124.0654 55.6098 30.2252 177.3858 86 K 3.8153 8.6236 123.4172 56.7870 33.1746 175.9643 *88 G 4.2033 8.2886 115.1974 45.3775 0.0000 172.2758 89 T 4.1709 8.3347 112.1130 61.0798 70.9305 175.4216 90 S 4.0273 8.4768 114.9474 61.7864 62.2998 176.6885 91 C 4.2183 8.1047 118.4993 60.0571 41.0579 175.7064 92 E 3.9642 8.2345 119.9987 59.6478 29.1000 179.3305 93 N 4.1983 8.2534 116.3745 56.2974 38.5844 177.8011 94 R 3.8407 8.0649 119.5282 59.2672 30.1079 179.2337 95 I 3.6617 7.9665 120.0110 64.4320 37.0503 177.6289 96 C 3.3256 7.7112 119.3381 59.4474 44.4770 175.5563 97 E 3.7877 8.0880 120.1151 59.3761 29.0378 178.7296 98 C 4.1614 7.9485 116.7238 60.0360 40.7723 175.9091 99 D 3.6113 8.0855 120.5903 56.8234 40.3871 178.6778 100 K 3.7421 8.2742 120.3536 59.4512 32.1744 178.6302 101 A 3.8638 7.9671 120.7888 55.0337 18.2144 179.5393 102 A 3.4175 7.6709 118.7632 55.0380 18.4043 179.6933 103 A 3.5897 7.9479 119.4611 55.3052 18.3257 179.9980 104 I 3.6559 7.6495 118.3062 64.4007 36.9094 177.8209 105 C 4.2023 7.8255 118.7390 59.5793 38.3374 175.2860 106 F 4.5811 8.1350 119.8261 60.6590 38.4949 177.5816 107 R 3.9230 8.0084 118.2277 59.6856 29.7313 178.6193 108 Q 4.2039 8.2973 116.2990 57.8563 28.8232 176.9203 109 N 5.1921 7.6173 116.4370 52.8917 39.4957 176.5465 110 L 4.1810 7.9155 121.9018 57.6705 41.7933 179.3153 111 N 4.4771 8.3167 115.1993 55.0406 37.2599 175.5147 112 T 4.5193 7.7350 106.8637 61.0226 69.1683 173.3217 113 Y 4.0242 8.0642 124.9686 58.1076 39.1448 174.5662 114 S 4.9764 8.9649 122.4615 56.0556 64.6204 174.9662 115 K 4.0713 8.7466 127.2296 58.9184 32.0487 178.9917 116 K 3.9311 7.2988 116.2453 59.0364 32.6548 177.2372 117 Y 4.2331 7.3376 116.5789 58.0750 38.1837 175.4783 118 M 5.1190 7.3584 119.4680 55.2342 32.9830 175.6060 119 L 3.6178 8.3039 118.7217 55.9239 39.9508 175.1355 120 Y 4.2177 7.8868 118.5126 56.0782 39.5868 173.0205 121 P 4.0570 0.0000 0.0000 62.4633 32.1635 176.3988 122 D 4.0549 8.6100 121.2030 57.3124 41.1023 178.3485 *124 F 4.7371 7.8161 110.4946 56.4844 39.5334 175.3630 125 L 4.1598 6.6816 119.5427 55.5317 41.5007 176.4167 126 C 4.8756 8.1203 116.7277 54.6489 41.1481 173.0625 127 K 4.6171 8.3667 123.1644 55.2270 34.7661 177.3728 128 G 4.2863 8.9808 106.2572 45.4687 0.0000 172.0211 129 E 4.9344 8.2833 115.5279 54.2788 32.0894 175.7779 130 L 4.5180 8.5127 122.6132 52.5644 41.2108 176.1130 131 K 4.0128 8.2572 125.2758 56.3744 33.0375 175.8780 *133 C 4.8106 8.5032 116.9638 55.8317 42.9173 173.5536 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 S 8.14 5.38 0.00 4.18 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 2 L 8.44 4.13 0.00 2.13 1.88 1.15 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.42 4.01 0.00 1.86 1.64 0.94 0.88 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 4 E 8.00 4.09 0.00 1.72 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 1.59 2.23 0.00 5 F 8.58 4.66 0.00 3.33 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 6 G 8.86 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 4.03 0.00 2.06 2.23 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.64 1.56 7.81 8 M 8.27 4.23 0.00 2.05 2.31 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 1.95 0.00 9 I 7.92 3.58 1.87 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.32 0.80 0.00 0.00 10 L 7.93 4.35 0.00 1.77 1.83 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.24 4.01 0.00 2.17 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 2.41 2.72 0.00 12 E 8.33 4.32 0.00 1.91 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 2.45 2.40 0.00 13 T 8.25 4.53 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 1.24 0.00 0.00 14 G 8.14 3.79 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 0.00 0.00 0.00 *16 K 7.40 4.49 0.00 1.92 1.66 0.00 1.47 0.00 0.00 0.99 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.44 7.81 17 L 8.07 4.47 0.00 1.75 1.69 0.93 0.97 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 18 A 8.87 4.02 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 19 I 7.70 4.73 1.96 0.00 0.00 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 1.72 0.84 1.02 0.00 0.00 20 P 0.00 5.31 0.00 2.25 2.32 0.00 3.88 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 21 S 7.75 4.07 0.00 3.90 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 22 Y 8.25 4.56 0.00 2.67 2.57 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 0.00 0.00 0.00 0.00 23 S 7.94 4.36 0.00 4.06 4.09 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 24 S 7.51 4.98 0.00 3.90 3.78 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 25 Y 8.47 4.81 0.00 2.83 2.57 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 0.00 0.00 0.00 0.00 26 G 8.00 3.36 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 0.00 27 C 8.87 4.44 0.00 2.99 2.91 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 28 Y 8.73 4.30 0.00 3.30 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 29 C 8.46 4.72 0.00 3.27 3.21 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 30 G 6.67 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 0.00 0.00 0.00 31 W 8.03 4.95 0.00 3.53 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 32 G 9.19 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 33 G 8.21 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 34 K 7.61 4.37 0.00 2.01 1.76 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.22 1.52 7.81 35 G 9.08 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 36 T 8.04 4.42 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 1.14 0.00 0.00 37 P 0.00 4.57 0.00 1.90 1.95 0.00 3.39 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.70 0.00 38 K 9.10 3.94 0.00 0.79 0.74 0.00 1.85 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.11 0.52 7.81 39 D 7.18 4.45 0.00 2.78 2.64 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 0.00 0.00 0.00 0.00 40 A 8.80 3.98 1.41 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 0.00 0.00 41 T 7.98 3.95 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 0.77 0.00 0.00 42 D 8.99 4.52 0.00 2.83 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 43 R 8.27 4.00 0.00 2.10 1.99 0.00 3.17 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 44 C 8.32 4.29 0.00 3.53 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 45 C 8.35 4.40 0.00 3.35 3.44 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 0.00 46 F 8.31 3.70 0.00 2.45 3.02 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 0.00 0.00 0.00 47 V 8.06 3.26 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 0.90 0.00 0.00 1.00 0.00 0.00 48 H 8.08 3.77 0.00 3.12 3.27 0.00 5.64 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 49 D 7.99 4.17 0.00 2.70 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 50 C 7.48 4.07 0.00 2.74 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 51 C 8.04 4.27 0.00 2.94 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 52 Y 7.93 4.28 0.00 3.07 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 53 G 8.12 3.70 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 0.00 0.00 0.00 54 N 7.74 4.69 0.00 2.79 2.83 0.00 0.00 6.79 9.13 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 55 L 7.70 4.84 0.00 1.59 1.52 0.87 0.98 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 56 P 0.00 4.19 0.00 2.21 2.31 0.00 3.80 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 *59 D 7.89 4.92 0.00 2.73 2.76 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 *61 C 7.53 5.30 0.00 3.01 3.18 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 0.00 0.00 0.00 0.00 *67 N 7.96 4.95 0.00 2.97 2.79 0.00 0.00 7.60 8.03 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 68 P 0.00 4.13 0.00 1.46 0.79 0.00 3.36 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.41 0.00 69 K 8.12 4.06 0.00 1.81 1.88 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.52 7.81 70 S 7.80 4.59 0.00 3.98 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 4.49 0.00 2.69 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 72 R 8.28 4.40 0.00 1.79 1.87 0.00 3.23 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 73 Y 7.54 4.86 0.00 3.03 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 74 K 8.71 4.99 0.00 1.83 1.95 0.00 1.48 0.00 0.00 1.91 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.59 7.81 75 Y 8.39 5.23 0.00 3.14 3.14 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 76 K 9.15 4.59 0.00 1.78 1.99 0.00 1.27 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.43 7.81 77 R 8.54 5.18 0.00 1.73 1.94 0.00 3.45 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 78 V 8.74 4.27 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 1.06 0.00 0.00 0.95 0.00 0.00 79 N 9.82 4.18 0.00 2.84 2.84 0.00 0.00 7.21 7.98 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 80 G 8.51 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.71 4.86 1.24 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 0.00 0.00 0.00 82 I 8.28 4.41 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.59 0.76 0.00 0.00 83 V 9.17 4.34 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 1.01 0.00 0.00 0.96 0.00 0.00 84 C 8.89 4.97 0.00 2.96 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 85 E 8.48 4.32 0.00 2.01 1.92 0.00 0.00 0.00 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 2.34 0.00 86 K 8.62 3.82 0.00 1.83 1.70 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.51 7.81 *88 G 8.29 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 0.00 0.00 0.00 0.00 89 T 8.33 4.17 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 1.22 0.00 0.00 90 S 8.48 4.03 0.00 3.89 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 91 C 8.10 4.22 0.00 2.99 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 92 E 8.23 3.96 0.00 2.26 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 2.66 2.41 0.00 93 N 8.25 4.20 0.00 2.79 2.79 0.00 0.00 7.10 7.30 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 94 R 8.06 3.84 0.00 1.84 1.91 0.00 3.19 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 95 I 7.97 3.66 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.60 0.96 0.00 0.00 96 C 7.71 3.33 0.00 1.59 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 97 E 8.09 3.79 0.00 2.06 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 2.42 2.41 0.00 98 C 7.95 4.16 0.00 3.19 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 99 D 8.09 3.61 0.00 2.77 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 0.00 100 K 8.27 3.74 0.00 1.69 1.86 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.35 7.81 101 A 7.97 3.86 1.26 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 0.00 0.00 0.00 102 A 7.67 3.42 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 0.00 103 A 7.95 3.59 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 0.00 104 I 7.65 3.66 1.84 0.00 0.00 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 1.36 0.64 0.86 0.00 0.00 105 C 7.83 4.20 0.00 2.99 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 0.00 106 F 8.14 4.58 0.00 2.94 2.64 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 0.00 0.00 0.00 0.00 107 R 8.01 3.92 0.00 1.98 2.10 0.00 3.33 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 108 Q 8.30 4.20 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 109 N 7.62 5.19 0.00 2.87 2.85 0.00 0.00 6.83 7.78 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 0.00 110 L 7.92 4.18 0.00 1.75 1.74 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.32 4.48 0.00 2.86 2.99 0.00 0.00 5.83 7.71 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 0.00 112 T 7.74 4.52 4.32 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 1.26 0.00 0.00 113 Y 8.06 4.02 0.00 3.03 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 0.00 114 S 8.96 4.98 0.00 3.88 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 0.00 115 K 8.75 4.07 0.00 1.86 1.86 0.00 1.75 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.67 1.56 7.81 116 K 7.30 3.93 0.00 1.64 1.70 0.00 1.24 0.00 0.00 1.37 0.00 0.00 2.30 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.62 0.29 7.81 117 Y 7.34 4.23 0.00 1.82 1.67 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 0.00 118 M 7.36 5.12 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.64 0.00 119 L 8.30 3.62 0.00 1.75 1.71 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.89 4.22 0.00 3.00 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 0.00 121 P 0.00 4.06 0.00 0.69 1.78 0.00 3.00 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.45 0.00 122 D 8.61 4.05 0.00 2.68 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 *124 F 7.82 4.74 0.00 3.20 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 0.00 125 L 6.68 4.16 0.00 1.00 1.54 0.13 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.12 4.88 0.00 2.83 3.20 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 0.00 127 K 8.37 4.62 0.00 1.77 1.70 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.60 1.38 7.81 128 G 8.98 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 0.00 129 E 8.28 4.93 0.00 2.14 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 2.21 2.35 0.00 130 L 8.51 4.52 0.00 1.67 1.79 0.42 0.86 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 0.00 131 K 8.26 4.01 0.00 1.88 1.72 0.00 1.77 0.00 0.00 1.91 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.54 1.59 7.81 *133 C 8.50 4.81 0.00 3.04 3.22 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 0.00 * Residues marked with a * may have inaccurate shift predictions.