NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7271 8.2833 118.2156 52.2081 38.7518 175.0048 3 L 3.8314 8.3634 117.9944 57.7050 41.8109 177.6800 4 T 4.0253 8.8536 115.6118 66.7236 69.2807 175.0868 5 E 4.3152 9.4087 121.2831 59.5520 29.6773 180.5147 6 L 3.9793 7.9215 118.2736 54.8337 40.7745 178.9589 *8 E 4.2564 8.2163 120.0311 55.9755 31.3225 177.1787 9 R 4.3664 7.5270 114.7891 56.1618 31.2178 176.2050 10 I 4.5258 7.8233 119.3785 58.3884 38.9655 173.3711 11 P 4.1674 0.0000 0.0000 64.2781 31.8737 175.8603 12 H 4.1356 8.8597 116.7810 56.8935 26.6484 176.5724 13 L 4.0370 7.7730 123.4918 58.2711 41.7091 178.8904 14 R 3.9755 8.1915 120.5913 60.2665 29.9476 178.7987 15 E 4.0557 8.2026 117.4531 61.1733 29.7912 180.7242 16 I 4.0110 8.0376 120.9500 64.1804 37.0987 178.4351 17 L 4.1235 8.3748 120.2340 57.8947 41.4744 178.9556 18 N 4.3372 8.4811 117.0692 56.9919 38.8134 176.8410 19 I 3.9288 8.1133 121.2307 64.4071 37.2800 178.6097 20 V 3.7192 8.1153 119.0674 66.1216 31.1827 178.1832 21 R 4.0874 8.2141 116.8217 59.5127 30.1851 178.5594 22 E 4.1486 8.5359 118.0945 59.4260 29.2401 179.2569 23 A 3.9083 8.2556 120.1491 54.7753 18.6519 178.7970 24 F 4.4518 8.1956 113.8820 56.3580 39.2233 175.6874 25 K 4.0259 7.3910 123.5400 58.5774 32.1794 176.5344 26 D 4.4933 9.0550 123.6173 54.0888 37.0216 169.5558 27 Y 4.6896 8.4950 124.0910 57.9411 39.1162 175.1366 28 D 4.7483 8.1532 124.3412 52.4291 40.9767 172.9181 29 D 4.2377 7.0972 120.5178 54.7063 41.1001 175.4931 30 P 4.3067 0.0000 0.0000 65.2701 31.4409 177.2910 31 A 4.0992 8.2344 121.1908 54.3581 18.5272 178.0362 32 H 4.9006 8.1803 111.1580 55.8008 31.2256 173.2364 33 D 4.8148 7.9105 120.8949 52.3295 40.7199 176.6691 34 I 2.3913 7.9634 117.9576 63.6774 37.4933 177.6362 35 S 4.1704 7.8070 115.3008 61.2725 62.7017 175.7768 36 H 4.0363 8.0224 121.5832 59.6621 29.3367 177.1307 37 T 3.7509 7.4200 115.1924 66.7726 68.2961 176.1181 38 F 4.6690 7.2724 118.3441 60.6527 39.1545 177.7092 39 R 4.1703 8.2703 117.9342 58.9143 29.8086 179.8748 40 V 3.8906 7.9869 116.9663 63.2113 31.4406 177.6149 *42 E 4.3047 8.1696 117.9725 56.0595 31.5888 178.0624 43 N 4.3168 8.4291 115.9318 56.3423 38.4481 177.3750 44 A 4.0098 8.5189 122.5867 55.0037 18.3935 179.6618 45 S 4.0303 7.9988 111.2707 61.5233 62.5135 176.0438 46 E 3.9308 8.0932 121.1425 59.4846 29.1805 179.4276 47 I 3.6701 7.9125 119.4284 64.4390 37.2664 178.3580 48 A 4.0066 8.2920 121.8412 55.2209 18.0466 179.8027 49 S 4.0752 8.0398 113.5419 62.0730 62.7830 177.3344 50 R 4.0276 8.0126 119.1224 58.7738 29.9155 178.1455 51 E 4.2055 8.4659 116.5240 55.7409 30.0122 176.3929 52 K 3.8077 7.6991 117.4334 57.8557 29.9750 174.8953 53 C 4.5451 7.7698 116.3065 57.8843 30.8351 173.9086 54 D 4.5002 8.2805 119.2624 54.0321 40.7904 176.0901 55 L 3.9816 8.4393 129.8965 58.1170 42.2456 178.4711 56 Q 4.1132 8.2405 117.5036 59.0959 28.7282 178.8625 57 K 3.4862 8.3531 119.0673 59.2318 32.0104 179.2791 58 A 3.9175 7.8388 120.7090 55.1847 18.2513 179.7728 59 I 3.6718 8.0690 118.6116 64.6870 37.2411 178.8247 60 I 3.7279 7.8094 120.4109 64.2719 36.9328 178.4045 61 A 3.9564 8.2451 121.6227 55.0066 17.9779 179.4718 62 A 3.9105 7.9040 118.2252 55.4094 18.5550 179.5139 63 L 4.1534 8.1131 116.5471 57.6451 42.0902 179.0210 64 L 4.4912 8.1577 117.2405 55.7043 41.7539 178.4654 65 H 4.3136 8.0746 115.1666 57.8459 28.5279 175.8371 66 D 4.9575 7.4203 119.3295 53.7905 41.2113 177.8599 67 I 3.6108 7.8452 121.9475 63.2367 38.1374 177.3025 68 K 4.2734 7.7262 118.3116 56.1859 32.1888 178.0881 69 R 3.6496 7.7087 121.7789 58.8979 29.9803 177.1593 70 P 3.0340 0.0000 0.0000 65.3749 31.1923 178.1308 71 H 4.0021 7.7159 116.5648 59.0325 29.7150 176.7952 72 E 4.0059 8.4754 122.5835 58.6174 29.2389 178.5718 73 A 3.9702 7.6654 119.8669 55.1106 18.4474 179.1811 74 L 4.1457 7.4343 116.3714 56.8170 41.9541 178.5087 75 T 4.4486 7.8062 107.2664 60.4710 70.4268 175.4493 76 G 3.8567 8.2139 109.1539 45.1486 0.0000 173.5036 77 V 3.7117 7.5484 120.9922 61.8286 32.2811 174.7910 78 D 4.3850 8.7558 126.4697 55.0052 42.0647 176.8754 79 H 4.4842 9.8706 125.2281 57.9676 28.5850 177.7585 80 A 3.9515 7.8043 123.2833 55.0663 18.3356 179.2971 81 E 3.9316 8.2527 117.1209 59.5634 29.4287 179.8060 82 S 4.2725 8.2109 114.5731 61.3450 63.0511 176.7032 83 G 3.6525 8.5953 109.5977 47.4414 0.0000 175.5444 84 A 4.0102 8.1498 123.1558 54.9330 18.3636 179.3537 85 E 3.8854 8.3066 117.8912 59.4078 29.6042 178.3961 86 Y 3.9849 8.4476 119.7231 60.7394 38.9408 177.8274 87 A 3.8835 8.3139 121.8090 55.4315 18.2428 179.8224 88 S 4.2369 8.0042 112.6187 61.1060 62.8535 176.7024 89 G 3.6675 7.3710 107.5899 47.0327 0.0000 175.6203 90 L 3.9112 7.6685 123.0581 57.8770 42.0345 178.9382 91 L 4.1377 7.7885 118.9187 57.5119 41.3341 177.8291 92 P 4.5163 0.0000 0.0000 65.2291 31.6397 178.0504 93 T 4.0561 7.5766 108.9397 61.4160 67.7730 175.4035 *95 G 3.6881 8.0488 108.5626 45.8949 0.0000 173.5169 96 F 4.0441 7.4999 119.2051 56.8343 39.5354 175.7915 97 D 4.7374 8.4202 124.3475 52.5435 41.7728 177.5729 98 I 3.7226 8.2828 120.3559 64.9860 37.0634 178.9000 99 S 4.1529 8.1443 115.2658 61.2876 62.7241 176.3275 100 F 3.9734 8.9232 123.6786 61.3960 39.1676 177.2884 101 V 3.7025 8.4040 117.8681 66.0806 31.2870 177.8048 102 A 3.9709 8.2837 120.6028 54.9949 18.1883 179.3105 103 E 3.7499 8.1076 117.8479 59.3236 29.7517 179.1250 104 V 3.4099 7.5442 118.2182 66.1036 31.4742 178.0988 105 S 4.0966 8.2826 115.1621 61.5498 62.6767 176.6923 106 K 3.8859 8.2267 122.1019 59.2900 31.6840 178.6685 107 A 3.9416 7.8348 120.2575 55.2731 18.5177 179.4160 108 I 3.8674 7.7839 118.3282 64.5126 36.9691 178.6142 109 R 4.0996 8.1201 118.7939 59.0882 29.9705 177.8094 110 S 4.5507 7.8258 112.4420 59.0548 63.3622 175.4489 111 H 4.4076 7.9002 117.9627 58.3651 28.3191 176.7581 112 R 3.9081 7.6512 119.5600 58.3787 30.3701 176.2858 *118 T 4.2992 7.5123 106.5123 60.3721 69.8191 171.8257 119 P 4.3530 0.0000 0.0000 62.9753 31.7647 176.5809 120 T 4.2778 8.1843 109.2045 61.1539 70.7706 174.7232 121 S 4.6474 7.3461 117.2169 56.4085 66.5729 174.8180 122 L 3.8611 8.0772 121.9483 58.2919 41.2928 179.8967 123 T 3.8684 7.7493 115.4128 66.5981 68.3070 176.9849 124 G 3.4639 8.1406 107.6736 47.4321 0.0000 176.0835 125 K 3.4189 7.8315 120.7169 59.1977 31.9863 179.4847 126 I 3.7575 7.8479 120.2396 64.1913 36.9297 178.2570 127 L 3.8924 8.1116 121.3055 58.2579 41.9048 178.7731 128 Q 4.0369 8.2742 119.5322 59.2740 28.9577 177.9585 129 D 4.6428 8.5857 119.7050 57.5840 40.7586 178.5899 130 A 4.0569 8.2703 120.2272 55.1590 18.6541 178.9965 131 D 4.4401 8.3944 116.5631 57.8060 41.4476 178.8210 132 R 4.1328 8.4439 118.5151 58.9176 30.1639 178.9227 133 L 4.2557 8.4858 119.0081 57.4442 41.3354 178.4740 134 D 4.5374 8.0452 116.5621 56.1467 41.2668 177.1945 135 A 4.2739 8.0061 120.0967 52.9663 18.7885 176.8848 136 I 4.5409 7.2739 109.4421 59.4382 41.0075 173.7863 137 G 3.7209 8.7299 105.6058 44.2893 0.0000 174.2625 138 A 4.1056 8.8093 119.5564 55.2822 18.2047 180.1400 139 V 3.5070 7.7597 116.1116 65.9304 31.6822 177.8135 140 A 3.9449 7.9836 120.0778 55.2011 18.2378 179.3654 141 I 3.3805 7.7479 117.8997 64.5451 37.1153 178.3747 142 A 4.1284 8.1439 121.5275 55.4500 18.1768 179.9030 143 R 3.8326 8.1974 116.7009 59.2275 29.8729 179.3678 144 V 3.4019 7.3836 117.1199 66.1394 31.5440 177.9167 145 F 4.4078 7.5546 115.6065 60.4745 38.7778 177.6774 146 S 4.4156 8.3857 117.0294 63.0648 62.7142 176.0126 *147 Y 3.9086 7.9432 123.1928 60.7531 36.5129 176.8636 *186 P 4.7483 0.0000 0.0000 62.4738 33.9118 178.5522 187 E 4.2855 8.0731 113.5671 57.7952 29.8724 177.2800 188 T 3.9337 7.7311 108.7579 62.4740 69.4715 174.6951 189 F 4.3492 7.5078 120.1782 56.5369 40.1141 176.0420 190 W 4.3495 9.7019 125.2313 59.7186 29.3162 177.7749 191 T 4.6330 8.7917 109.3410 60.3214 71.2108 175.3472 192 E 3.9424 8.6789 123.2288 59.7900 29.5319 179.3669 193 T 3.8357 8.2212 114.7691 66.6347 68.6187 176.1621 194 A 4.0288 7.8091 121.4111 55.0940 18.5920 179.4939 195 R 4.0612 8.1853 116.6989 59.2031 30.1181 179.9170 196 K 4.2267 8.0094 115.6118 56.8108 31.8569 178.8263 *198 A 4.0560 7.9577 124.2147 52.1755 20.5612 179.5146 199 E 3.9436 8.3751 116.3991 59.3815 29.6367 178.5749 200 D 4.3379 8.1574 117.8985 57.5658 41.3354 178.4169 201 R 4.0151 7.9562 118.0679 59.4208 30.0422 178.2875 202 Y 3.9766 8.5897 119.7460 60.9355 38.8713 178.3637 203 S 4.1973 8.5539 116.0854 61.3067 62.7642 176.5378 204 F 4.1300 8.2254 123.7178 61.1445 39.1865 177.3852 205 V 3.4395 8.0261 118.0720 65.8440 31.1923 178.1511 206 V 3.4116 7.7619 118.1553 65.9592 31.3112 177.4776 207 E 3.9820 7.9489 118.9648 59.2173 29.3106 178.4257 208 F 3.7060 8.0716 120.7976 61.2729 39.3331 177.3111 209 V 3.6934 7.9656 117.6744 66.0970 31.2560 177.9088 210 Q 3.9949 8.3570 118.1137 59.1226 28.5212 179.1801 211 R 3.8274 8.1669 119.2444 59.0175 30.0185 178.6604 212 F 3.8332 8.2753 120.7969 61.4601 39.1780 177.2516 213 L 4.1334 8.4171 118.3402 57.7720 41.2060 179.3930 214 A 4.0306 8.0842 119.9511 55.3287 18.4117 179.3056 215 E 4.0029 8.3396 116.4607 59.0745 29.5785 179.0599 216 W 3.9635 8.1516 128.0902 58.3059 30.7914 176.0182 217 G 4.0082 7.8307 111.9003 45.5945 0.0000 172.8643 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 2 N 8.28 4.73 0.00 2.94 3.03 0.00 0.00 6.14 5.79 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 3 L 8.36 3.83 0.00 1.94 1.73 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.85 4.03 4.41 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 1.20 0.00 0.00 5 E 9.41 4.32 0.00 2.22 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 2.33 2.39 0.00 6 L 7.92 3.98 0.00 1.87 1.70 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *8 E 8.22 4.26 0.00 2.20 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 2.21 2.52 0.00 9 R 7.53 4.37 0.00 1.85 2.00 0.00 3.12 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 10 I 7.82 4.53 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.08 1.05 0.00 0.00 11 P 0.00 4.17 0.00 1.94 1.81 0.00 4.00 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 1.93 2.05 0.00 12 H 8.86 4.14 0.00 3.55 3.48 0.00 5.63 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.77 4.04 0.00 1.96 1.71 1.00 0.81 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 14 R 8.19 3.98 0.00 1.94 1.95 0.00 3.23 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 15 E 8.20 4.06 0.00 2.01 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 2.31 1.97 0.00 16 I 8.04 4.01 2.10 0.00 0.00 1.00 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 0.70 1.02 0.00 0.00 17 L 8.37 4.12 0.00 1.92 1.82 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.48 4.34 0.00 2.95 3.06 0.00 0.00 7.28 8.62 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 19 I 8.11 3.93 2.13 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 1.50 0.71 1.06 0.00 0.00 20 V 8.12 3.72 2.36 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 1.12 0.00 0.00 1.12 0.00 0.00 21 R 8.21 4.09 0.00 2.10 2.11 0.00 3.34 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.09 0.00 22 E 8.54 4.15 0.00 2.22 2.03 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 0.00 2.37 2.48 0.00 23 A 8.26 3.91 1.17 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 0.00 0.00 24 F 8.20 4.45 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 25 K 7.39 4.03 0.00 1.80 1.85 0.00 1.91 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.45 7.81 26 D 9.05 4.49 0.00 2.91 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 27 Y 8.50 4.69 0.00 2.74 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 28 D 8.15 4.75 0.00 2.70 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.10 4.24 0.00 2.30 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 0.00 0.00 0.00 30 P 0.00 4.31 0.00 2.16 2.13 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 31 A 8.23 4.10 1.17 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 0.00 0.00 32 H 8.18 4.90 0.00 3.30 3.48 0.00 5.66 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.91 4.81 0.00 2.86 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 7.96 2.39 1.36 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.19 0.80 0.00 0.00 35 S 7.81 4.17 0.00 4.08 4.13 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 36 H 8.02 4.04 0.00 3.23 3.51 0.00 5.79 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 37 T 7.42 3.75 3.73 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 1.14 0.00 0.00 38 F 7.27 4.67 0.00 3.17 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 39 R 8.27 4.17 0.00 1.98 1.99 0.00 3.15 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 40 V 7.99 3.89 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 0.91 0.00 0.00 0.83 0.00 0.00 *42 E 8.17 4.30 0.00 2.25 2.03 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 0.00 2.56 2.30 0.00 43 N 8.43 4.32 0.00 2.91 2.89 0.00 0.00 6.95 6.65 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 44 A 8.52 4.01 1.36 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 45 S 8.00 4.03 0.00 3.92 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 46 E 8.09 3.93 0.00 2.30 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 2.33 2.23 0.00 47 I 7.91 3.67 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.83 0.95 0.00 0.00 48 A 8.29 4.01 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 49 S 8.04 4.08 0.00 4.12 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 50 R 8.01 4.03 0.00 1.85 2.00 0.00 3.15 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 51 E 8.47 4.21 0.00 1.99 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 2.50 2.51 0.00 52 K 7.70 3.81 0.00 1.87 1.92 0.00 1.70 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.54 7.81 53 C 7.77 4.55 0.00 2.95 2.86 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 0.00 0.00 0.00 54 D 8.28 4.50 0.00 2.70 2.54 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 55 L 8.44 3.98 0.00 1.82 1.69 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.24 4.11 0.00 2.59 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 57 K 8.35 3.49 0.00 1.77 1.54 0.00 1.57 0.00 0.00 1.47 0.00 0.00 2.66 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.30 0.95 7.81 58 A 7.84 3.92 1.36 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 59 I 8.07 3.67 1.98 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 1.75 1.01 0.97 0.00 0.00 60 I 7.81 3.73 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.90 0.85 0.00 0.00 61 A 8.25 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.90 3.91 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 63 L 8.11 4.15 0.00 1.90 1.85 1.03 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.16 4.49 0.00 1.83 1.80 0.98 1.07 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 65 H 8.07 4.31 0.00 3.15 3.62 0.00 5.52 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.42 4.96 0.00 2.66 2.80 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 67 I 7.85 3.61 1.98 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.74 0.77 0.00 0.00 68 K 7.73 4.27 0.00 1.89 1.70 0.00 1.50 0.00 0.00 1.54 0.00 0.00 2.43 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 1.46 7.81 69 R 7.71 3.65 0.00 1.84 1.72 0.00 3.14 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.78 0.00 70 P 0.00 3.03 0.00 1.62 1.48 0.00 3.04 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.84 0.00 71 H 7.72 4.00 0.00 3.07 3.32 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.48 4.01 0.00 2.09 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 2.25 2.27 0.00 73 A 7.67 3.97 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 74 L 7.43 4.15 0.00 1.63 1.65 0.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.81 4.45 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 0.98 0.00 0.00 76 G 8.21 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.55 3.71 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 0.93 0.00 0.00 0.93 0.00 0.00 78 D 8.76 4.39 0.00 2.81 2.53 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 0.00 0.00 0.00 0.00 79 H 9.87 4.48 0.00 3.30 3.62 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.80 3.95 1.28 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 0.00 0.00 81 E 8.25 3.93 0.00 2.28 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 2.33 2.19 0.00 82 S 8.21 4.27 0.00 4.03 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 83 G 8.60 3.65 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 0.00 0.00 0.00 84 A 8.15 4.01 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 85 E 8.31 3.89 0.00 2.08 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 2.33 2.32 0.00 86 Y 8.45 3.98 0.00 3.12 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 87 A 8.31 3.88 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 88 S 8.00 4.24 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 89 G 7.37 3.67 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 90 L 7.67 3.91 0.00 1.00 1.32 0.89 0.86 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 91 L 7.79 4.14 0.00 1.87 1.80 0.89 0.97 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 92 P 0.00 4.52 0.00 2.01 2.13 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 93 T 7.58 4.06 4.21 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 1.18 0.00 0.00 *95 G 8.05 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 0.00 0.00 0.00 96 F 7.50 4.04 0.00 3.07 2.66 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 97 D 8.42 4.74 0.00 2.98 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 98 I 8.28 3.72 1.90 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 1.66 0.57 0.93 0.00 0.00 99 S 8.14 4.15 0.00 3.92 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 0.00 100 F 8.92 3.97 0.00 3.25 3.24 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 0.00 101 V 8.40 3.70 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 1.07 0.00 0.00 1.16 0.00 0.00 102 A 8.28 3.97 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 0.00 103 E 8.11 3.75 0.00 1.96 1.86 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.65 3.91 0.00 1.76 1.99 0.00 3.22 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.41 0.00 *118 T 7.51 4.30 4.62 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 1.47 0.00 0.00 119 P 0.00 4.35 0.00 1.62 1.82 0.00 3.84 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.05 0.00 120 T 8.18 4.28 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 1.15 0.00 0.00 121 S 7.35 4.65 0.00 4.06 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 0.00 122 L 8.08 3.86 0.00 1.64 1.70 0.89 0.61 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 0.00 123 T 7.75 3.87 4.10 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 0.00 0.00 0.00 1.11 0.00 0.00 124 G 8.14 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 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8.49 4.26 0.00 1.94 1.75 0.88 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.05 4.54 0.00 2.76 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 0.00 135 A 8.01 4.27 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 0.00 136 I 7.27 4.54 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.83 1.03 0.00 0.00 137 G 8.73 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 0.00 0.00 0.00 138 A 8.81 4.11 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 0.00 139 V 7.76 3.51 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 1.13 0.00 0.00 0.93 0.00 0.00 140 A 7.98 3.94 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 0.00 141 I 7.75 3.38 1.84 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.99 0.24 0.00 0.00 142 A 8.14 4.13 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 0.00 143 R 8.20 3.83 0.00 1.98 1.93 0.00 3.09 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 1.63 1.62 0.00 144 V 7.38 3.40 1.71 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 0.27 0.00 0.00 0.73 0.00 0.00 145 F 7.55 4.41 0.00 3.10 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 0.00 146 S 8.39 4.42 0.00 3.85 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 *147 Y 7.94 3.91 0.00 2.43 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 0.00 0.00 0.00 *186 P 0.00 4.75 0.00 2.10 2.15 0.00 3.21 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 187 E 8.07 4.29 0.00 2.04 2.03 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 0.00 2.21 2.18 0.00 188 T 7.73 3.93 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 1.07 0.00 0.00 189 F 7.51 4.35 0.00 3.06 3.08 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 0.00 190 W 9.70 4.35 0.00 3.48 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 0.00 191 T 8.79 4.63 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 192 E 8.68 3.94 0.00 2.13 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 2.39 2.47 0.00 193 T 8.22 3.84 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 1.21 0.00 0.00 194 A 7.81 4.03 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 0.00 195 R 8.19 4.06 0.00 2.03 1.98 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 196 K 8.01 4.23 0.00 1.91 1.79 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.64 7.81 *198 A 7.96 4.06 0.77 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 0.00 199 E 8.38 3.94 0.00 2.18 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 2.31 2.19 0.00 200 D 8.16 4.34 0.00 2.92 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 0.00 201 R 7.96 4.02 0.00 1.93 2.03 0.00 3.16 0.00 0.00 3.50 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 202 Y 8.59 3.98 0.00 3.10 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 0.00 203 S 8.55 4.20 0.00 4.02 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 0.00 204 F 8.23 4.13 0.00 3.21 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 0.00 205 V 8.03 3.44 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 0.77 0.00 0.00 1.00 0.00 0.00 206 V 7.76 3.41 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 1.00 0.00 0.00 0.63 0.00 0.00 207 E 7.95 3.98 0.00 2.13 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 2.20 2.28 0.00 208 F 8.07 3.71 0.00 2.81 3.03 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 0.00 0.00 0.00 0.00 209 V 7.97 3.69 2.20 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 1.04 0.00 0.00 0.99 0.00 0.00 210 Q 8.36 3.99 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 211 R 8.17 3.83 0.00 1.80 1.97 0.00 3.00 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 212 F 8.28 3.83 0.00 2.98 3.15 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 0.00 0.00 0.00 0.00 213 L 8.42 4.13 0.00 1.94 1.78 0.95 1.14 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 0.00 214 A 8.08 4.03 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 0.00 215 E 8.34 4.00 0.00 1.95 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 2.26 2.35 0.00 216 W 8.15 3.96 0.00 3.24 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 0.00 217 G 7.83 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 * Residues marked with a * may have inaccurate shift predictions.