NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 S 4.4705 8.1927 115.4168 58.1402 64.4427 171.3916 30 V 4.4617 7.9026 118.5059 60.0333 34.5477 174.1493 31 Q 4.0624 9.6187 129.7499 56.3210 29.6161 174.5034 32 P 4.3775 0.0000 0.0000 63.1106 32.3830 175.7363 33 N 4.2110 8.9063 117.9265 53.9128 36.1965 174.7017 34 F 4.2909 8.5117 119.0553 58.6632 40.0493 174.2392 35 Q 4.2172 8.1115 127.2738 53.6334 29.1660 175.8602 36 Q 3.9028 8.3103 125.1356 59.0430 28.6428 177.5296 37 D 4.4071 8.0202 119.6586 56.4834 39.0935 178.2062 38 K 4.1040 7.4747 117.5041 57.5637 32.2471 177.9526 39 F 5.1006 8.0785 119.8490 58.1700 39.8561 175.4420 40 L 4.3420 6.9361 117.1644 55.4820 42.7109 176.0640 41 G 3.6934 8.6661 104.7608 44.0259 0.0000 171.9927 42 R 4.5966 7.9735 121.0094 55.2583 31.1006 177.2091 43 W 5.1076 9.0117 125.4819 54.8979 33.8109 173.9904 44 F 5.1932 9.5976 120.8234 55.9675 41.4020 175.5570 45 S 4.2136 9.0655 119.3217 58.3074 61.8114 173.2744 46 A 4.4288 8.9226 128.1952 53.2449 20.5172 177.0937 47 G 3.7493 7.2722 100.2667 44.4653 0.0000 171.6090 48 L 5.2605 8.7644 122.7564 53.2116 46.2488 174.6714 49 A 5.4634 9.0584 126.4027 49.1786 22.1386 174.9167 50 S 5.0676 8.4221 115.8038 56.6334 65.8480 173.0682 51 N 4.8572 8.6555 121.4253 52.8597 38.2617 174.6103 52 S 4.7819 8.1884 115.9797 57.0530 63.1682 174.7554 53 S 4.1934 8.8568 125.3886 61.2798 62.6189 176.1419 54 W 4.1931 8.4178 130.6778 60.6251 30.3912 177.6567 55 L 3.7772 8.5279 120.0412 58.1731 41.6208 178.9711 56 R 3.8928 8.2164 118.1061 59.4030 29.7707 178.9526 57 E 3.9156 8.0834 117.3939 59.1858 29.5862 179.1842 58 K 3.8185 7.5589 118.5291 59.3724 32.1253 179.6151 59 K 3.8113 8.0347 118.4828 59.1618 31.7052 179.2799 60 A 4.0466 7.8933 119.9061 54.2813 18.3375 178.4827 61 A 4.3517 7.3672 117.6611 51.5380 19.0524 176.4068 62 L 4.9805 7.2737 116.7255 53.8268 44.0271 175.7977 63 S 4.9565 8.6989 114.6158 56.9342 65.7734 173.6010 64 M 4.3001 8.7346 124.6393 55.5289 32.4082 175.3108 65 A 4.9901 9.3399 126.8881 52.3893 19.7739 177.2412 66 K 4.6736 7.7470 109.8496 55.0266 37.4291 174.7987 67 S 5.2821 9.1757 115.7800 56.6755 66.9764 173.5406 68 V 4.7432 8.8071 122.6154 61.1185 34.4305 174.1953 69 V 4.7899 8.7895 128.0417 61.2943 33.3680 174.3130 70 A 5.0501 8.7684 128.4977 49.4170 23.0211 173.3885 71 P 4.8247 0.0000 0.0000 62.8720 32.3671 176.1882 72 A 4.7835 8.8466 125.9398 50.5584 20.9550 178.4114 73 T 3.9883 8.6919 109.0576 63.7512 68.9295 174.8080 74 D 4.6569 8.1972 120.5222 53.0515 39.7661 177.2174 75 G 4.0721 8.4101 108.7256 45.2929 0.0000 174.8922 76 G 4.4986 8.6262 110.2156 46.0710 0.0000 172.8669 77 L 5.3945 8.8719 122.3402 52.9767 46.0193 175.5322 78 N 5.0971 9.3579 120.5884 52.1475 40.5300 173.8280 79 L 4.8273 8.9618 126.6566 53.8618 44.1679 175.0621 80 T 4.9059 8.8728 124.9623 62.1846 70.4997 173.9178 81 S 5.2602 9.3063 123.7225 57.1101 65.4867 173.3846 82 T 5.1512 9.0421 121.7229 61.8358 71.2079 173.3813 83 F 5.3374 8.6188 119.8235 55.8408 42.3813 172.4217 84 L 5.0696 9.3887 121.9874 53.3742 44.1877 174.8986 85 R 4.7915 8.7643 126.5130 54.6724 32.9184 175.4156 86 K 3.8746 9.3549 127.1109 58.6674 29.5365 174.2202 87 N 4.2812 8.0956 106.9663 54.0883 36.9860 174.5600 88 Q 4.6334 7.7105 115.8148 53.9330 31.6883 174.5151 89 C 4.8302 8.5919 119.8688 57.1715 41.5375 172.8836 90 E 4.7796 8.8876 121.7194 54.6943 33.7994 174.4975 91 T 5.0748 8.2083 111.3721 60.0929 72.0406 173.3114 92 R 4.8434 9.2210 122.0519 54.8940 34.6956 174.1158 93 T 5.1475 8.6724 118.5819 62.0406 71.5532 173.2954 94 M 4.8740 8.9181 124.9827 53.3846 35.3652 174.4761 95 L 4.6825 8.9052 126.0807 54.4639 43.2194 176.0127 96 L 4.8120 9.2176 128.3609 53.4372 42.6712 176.1221 97 Q 4.7402 9.1876 124.4214 54.7605 30.1387 174.4011 98 P 4.5341 0.0000 0.0000 62.7818 31.9954 175.9618 99 A 4.4926 8.4253 124.2502 51.5064 19.6736 177.6876 100 G 3.9115 8.9393 104.5401 46.1342 0.0000 174.0237 101 S 4.6294 7.3051 114.7358 55.9974 66.7166 173.4675 102 L 4.1856 8.3753 124.6448 56.3207 41.9417 177.7799 103 G 2.9587 8.7636 111.1792 44.5456 0.0000 172.4209 104 S 5.0412 7.3240 116.1621 56.8605 65.7598 172.9677 105 Y 5.4180 9.2646 121.1420 56.3688 43.0220 174.0262 106 S 5.3570 9.5804 114.7373 56.8769 66.5910 172.3350 107 Y 5.0430 9.4173 123.9365 55.8296 41.5677 173.8398 108 R 4.7215 7.8822 126.6899 54.3752 31.9312 175.0203 109 S 4.1042 8.1630 122.5691 56.3675 62.6841 173.7546 110 P 4.4634 0.0000 0.0000 62.3167 29.8066 176.0541 *114 S 4.3338 7.5129 114.5868 58.7675 65.3425 174.7877 115 T 4.9153 8.0545 117.8326 62.0456 72.0140 172.8342 116 Y 5.2667 9.1702 122.0450 56.1787 42.1612 174.9239 117 S 5.0120 9.1913 118.9120 57.9845 65.2458 173.2457 118 V 4.9649 9.1417 122.7859 61.3839 34.4454 174.1690 119 S 5.1462 9.2198 123.9230 56.6651 66.6926 173.8179 120 V 3.8742 8.4354 125.0097 62.2629 30.9218 176.5794 121 V 3.8016 8.5410 129.5244 64.9780 32.2721 176.0980 122 E 4.9314 7.7488 119.6090 55.4086 32.9756 173.9578 123 T 4.1878 8.8375 119.8519 60.9739 70.5362 172.7650 124 D 4.6696 7.1885 125.7605 52.8340 39.8970 176.5312 125 Y 4.4110 7.9526 123.8623 58.8878 37.1801 170.0424 126 D 4.8292 8.0936 114.4035 53.2265 40.5873 175.8630 127 Q 4.7053 8.4308 117.4880 57.5591 32.0770 174.4906 128 Y 5.8540 8.7911 114.9527 55.9694 42.0968 173.4864 129 A 4.7015 9.3600 121.0776 50.4230 23.3562 174.9592 130 L 5.0877 9.1348 121.1583 53.1021 43.9596 175.7538 131 L 5.2790 8.9693 124.0706 53.1500 45.1651 174.9391 132 Y 5.3703 9.0977 122.3375 56.2117 42.2983 174.2239 133 S 5.7764 8.8509 121.9297 55.9799 67.1872 172.9479 134 Q 5.6425 7.7903 119.2904 55.3049 32.0952 173.9710 135 G 3.8981 9.1036 108.4657 46.7469 0.0000 173.3284 136 S 4.8742 8.8645 116.5750 57.7265 65.0661 173.9796 137 K 4.6103 7.2304 120.9571 57.0414 35.6569 176.2162 138 G 4.0319 8.8548 113.5817 44.4052 0.0000 172.0574 139 P 4.3683 0.0000 0.0000 64.9703 30.8441 178.1024 140 G 3.6948 7.9359 105.6417 46.8174 0.0000 175.1846 141 E 4.1130 8.4047 121.2679 59.2165 29.1926 178.4937 142 D 4.4977 7.8608 117.6567 55.0756 41.3939 175.7248 143 F 5.0368 8.2222 123.8034 57.0772 41.2000 174.7909 144 R 4.7931 8.5793 124.0565 54.6433 34.5754 174.0103 145 M 5.0493 8.5329 121.4734 54.1977 36.1802 173.1301 146 A 5.5580 8.8004 127.8818 50.6613 22.2933 175.4040 147 T 4.8317 9.0681 117.0811 61.6015 72.9350 172.6884 148 L 4.6948 7.7439 128.1776 53.7029 43.7192 174.5343 149 Y 5.1538 8.8742 124.6349 56.4597 40.6452 174.8307 150 S 5.5940 9.4109 117.0703 56.7798 65.7422 174.9768 151 R 4.3832 9.2700 124.6559 58.0654 30.2891 176.8732 152 T 4.6764 7.7872 108.2487 59.5711 71.1207 174.2312 153 Q 3.5342 7.8407 124.3594 58.4375 29.3916 176.6759 154 T 4.0170 7.4706 108.4099 60.0263 69.5228 172.4351 155 P 4.2410 0.0000 0.0000 63.0301 31.9612 176.2876 156 R 4.4923 8.2476 118.9585 53.6511 33.3077 176.1502 157 A 3.9283 8.6706 126.4368 55.3508 18.4415 179.1346 158 E 3.8897 8.0936 115.4239 59.4826 29.6645 179.2732 159 L 3.9205 7.7872 119.5309 57.4338 41.7096 179.2774 160 K 4.1542 8.1201 118.5408 59.4334 31.8513 178.9724 161 E 3.9669 8.4718 119.8223 59.1102 29.5748 178.7011 162 K 3.9086 8.1920 119.7076 59.5012 32.1414 178.5588 163 F 4.4398 8.5545 120.8942 61.7671 39.3526 177.2258 164 T 3.7196 8.5450 115.5398 66.5274 68.2551 176.4844 165 A 3.9764 8.3103 122.8393 55.0517 18.4944 179.4535 166 F 4.1342 8.3688 119.1549 61.7074 39.5227 177.1779 167 C 3.9815 8.1347 116.6374 62.6347 27.8517 176.2336 168 K 3.9160 8.1499 119.9439 59.4604 31.4256 179.3074 169 A 3.9897 7.7749 119.7838 54.5568 18.2806 178.6409 170 Q 4.0531 7.2804 114.2999 55.4842 28.9346 176.7809 171 G 3.7409 7.6665 108.2657 45.2651 0.0000 174.1120 172 F 4.2677 7.6093 118.6245 56.9482 39.7441 175.7529 173 T 4.2282 8.3139 114.3448 61.1139 69.9213 175.2641 174 E 3.9732 8.8848 122.4555 59.9131 29.5854 179.4396 175 D 4.4699 8.1046 116.6846 56.6676 41.2095 176.9337 176 T 4.2577 7.9524 108.4619 61.4081 69.2150 173.8450 177 I 4.4278 7.4790 124.1342 60.3216 37.7321 175.4527 178 V 4.4312 8.6229 120.5615 59.3149 36.0676 175.0717 179 F 5.0507 8.5385 121.6391 55.5571 40.2151 175.7784 180 L 4.2759 8.1959 125.1564 53.7958 42.5112 175.6915 181 P 4.4158 0.0000 0.0000 63.2503 32.3029 175.4978 182 Q 5.0931 8.6538 122.1777 54.7807 31.0722 174.5767 183 T 4.7345 8.6529 115.1556 60.6791 70.3205 173.5926 184 D 4.6604 8.8169 124.9078 54.5039 40.4777 176.9149 185 K 4.2467 7.8345 120.1387 56.8586 33.0352 176.8109 186 C 3.8905 8.7649 114.6904 57.8899 37.2580 174.2884 187 M 3.9844 7.4999 117.2315 57.1492 32.2081 176.2723 188 T 4.1732 7.7629 112.7972 62.0944 69.2763 174.4237 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 29 S 8.19 4.47 0.00 4.03 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 30 V 7.90 4.46 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 0.71 0.00 0.00 0.89 0.00 0.00 31 Q 9.62 4.06 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.63 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 32 P 0.00 4.38 0.00 2.03 2.01 0.00 3.93 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 33 N 8.91 4.21 0.00 2.93 2.93 0.00 0.00 6.91 7.45 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 34 F 8.51 4.29 0.00 3.14 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 35 Q 8.11 4.22 0.00 1.40 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.15 0.00 36 Q 8.31 3.90 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.88 0.00 0.00 0.00 0.00 0.00 2.64 2.84 0.00 37 D 8.02 4.41 0.00 2.87 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 38 K 7.47 4.10 0.00 1.00 1.56 0.00 1.39 0.00 0.00 0.91 0.00 0.00 2.38 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.15 7.81 39 F 8.08 5.10 0.00 3.19 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 40 L 6.94 4.34 0.00 1.70 1.69 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.67 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 42 R 7.97 4.60 0.00 1.63 1.57 0.00 3.06 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.29 0.00 43 W 9.01 5.11 0.00 2.99 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 9.60 5.19 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.07 4.21 0.00 3.76 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 46 A 8.92 4.43 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 47 G 7.27 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 48 L 8.76 5.26 0.00 1.48 1.31 0.84 0.98 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 49 A 9.06 5.46 0.30 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 50 S 8.42 5.07 0.00 3.82 3.71 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 51 N 8.66 4.86 0.00 2.78 2.92 0.00 0.00 6.75 8.76 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 52 S 8.19 4.78 0.00 4.29 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 53 S 8.86 4.19 0.00 4.00 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 54 W 8.42 4.19 0.00 3.42 3.25 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 0.00 55 L 8.53 3.78 0.00 2.15 2.04 1.09 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.22 3.89 0.00 1.90 1.94 0.00 3.16 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.99 0.00 57 E 8.08 3.92 0.00 1.91 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 2.31 2.45 0.00 58 K 7.56 3.82 0.00 1.43 1.43 0.00 1.11 0.00 0.00 1.26 0.00 0.00 2.67 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.36 0.21 7.81 59 K 8.03 3.81 0.00 1.79 1.73 0.00 1.50 0.00 0.00 1.43 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.50 7.81 60 A 7.89 4.05 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 61 A 7.37 4.35 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 62 L 7.27 4.98 0.00 2.01 1.66 0.72 0.24 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 63 S 8.70 4.96 0.00 3.82 3.81 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 64 M 8.73 4.30 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 65 A 9.34 4.99 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 66 K 7.75 4.67 0.00 1.44 1.78 0.00 1.34 0.00 0.00 1.79 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.41 7.81 67 S 9.18 5.28 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 68 V 8.81 4.74 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 0.98 0.00 0.00 0.86 0.00 0.00 69 V 8.79 4.79 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 1.00 0.00 0.00 0.65 0.00 0.00 70 A 8.77 5.05 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 71 P 0.00 4.82 0.00 1.99 2.06 0.00 3.69 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 2.06 2.15 0.00 72 A 8.85 4.78 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 73 T 8.69 3.99 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 1.23 0.00 0.00 74 D 8.20 4.66 0.00 2.84 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 75 G 8.41 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 76 G 8.63 4.50 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 0.00 77 L 8.87 5.39 0.00 1.28 1.44 0.76 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 78 N 9.36 5.10 0.00 2.59 2.74 0.00 0.00 6.40 6.61 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 79 L 8.96 4.83 0.00 1.61 1.45 0.70 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.87 4.91 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 1.22 0.00 0.00 81 S 9.31 5.26 0.00 3.85 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 9.04 5.15 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 1.22 0.00 0.00 83 F 8.62 5.34 0.00 3.25 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 84 L 9.39 5.07 0.00 1.76 1.61 0.93 0.89 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 85 R 8.76 4.79 0.00 2.12 1.94 0.00 3.34 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 86 K 9.35 3.87 0.00 1.90 1.82 0.00 1.97 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.39 7.81 87 N 8.10 4.28 0.00 2.83 2.86 0.00 0.00 7.00 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 88 Q 7.71 4.63 0.00 2.21 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 7.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 89 C 8.59 4.83 0.00 2.78 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 90 E 8.89 4.78 0.00 1.16 1.25 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 2.04 2.17 0.00 91 T 8.21 5.07 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 92 R 9.22 4.84 0.00 1.87 1.90 0.00 3.34 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.04 0.00 93 T 8.67 5.15 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 1.28 0.00 0.00 94 M 8.92 4.87 0.00 1.63 1.79 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.26 0.00 95 L 8.91 4.68 0.00 1.71 1.69 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 96 L 9.22 4.81 0.00 1.41 1.54 0.69 1.00 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 97 Q 9.19 4.74 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.98 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 98 P 0.00 4.53 0.00 1.95 1.98 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.37 0.00 99 A 8.43 4.49 1.18 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 0.00 0.00 100 G 8.94 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 S 7.31 4.63 0.00 3.74 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 0.00 102 L 8.38 4.19 0.00 1.73 1.82 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 103 G 8.76 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 0.00 0.00 0.00 104 S 7.32 5.04 0.00 3.74 3.64 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 0.00 105 Y 9.26 5.42 0.00 2.82 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 0.00 106 S 9.58 5.36 0.00 3.87 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 0.00 107 Y 9.42 5.04 0.00 3.09 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 R 7.88 4.72 0.00 1.71 1.59 0.00 3.22 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.49 0.00 109 S 8.16 4.10 0.00 4.09 3.87 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 0.00 110 P 0.00 4.46 0.00 2.11 2.02 0.00 3.84 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 *114 S 7.51 4.33 0.00 3.73 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 0.00 115 T 8.05 4.92 4.15 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 1.28 0.00 0.00 116 Y 9.17 5.27 0.00 3.02 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 0.00 117 S 9.19 5.01 0.00 3.98 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 0.00 118 V 9.14 4.96 2.24 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 1.00 0.00 0.00 1.06 0.00 0.00 119 S 9.22 5.15 0.00 3.89 3.71 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 0.00 120 V 8.44 3.87 1.33 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 0.61 0.00 0.00 0.23 0.00 0.00 121 V 8.54 3.80 1.93 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 0.94 0.00 0.00 1.07 0.00 0.00 122 E 7.75 4.93 0.00 2.03 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 2.40 2.36 0.00 123 T 8.84 4.19 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 124 D 7.19 4.67 0.00 2.81 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 0.00 125 Y 7.95 4.41 0.00 3.26 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 0.00 126 D 8.09 4.83 0.00 2.74 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 0.00 127 Q 8.43 4.71 0.00 2.58 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 128 Y 8.79 5.85 0.00 3.28 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 0.00 129 A 9.36 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 9.13 5.09 0.00 1.27 1.13 0.84 0.79 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 0.00 131 L 8.97 5.28 0.00 1.74 1.63 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 9.10 5.37 0.00 3.42 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 0.00 133 S 8.85 5.78 0.00 3.73 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 0.00 134 Q 7.79 5.64 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.25 0.00 135 G 9.10 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 S 8.86 4.87 0.00 3.78 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.23 4.61 0.00 1.75 1.53 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.24 7.81 138 G 8.85 4.03 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 0.00 0.00 0.00 139 P 0.00 4.37 0.00 2.24 2.29 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 140 G 7.94 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 0.00 141 E 8.40 4.11 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 142 D 7.86 4.50 0.00 2.69 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 0.00 143 F 8.22 5.04 0.00 3.29 3.45 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 0.00 144 R 8.58 4.79 0.00 1.63 1.75 0.00 3.13 0.00 0.00 2.99 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 145 M 8.53 5.05 0.00 1.98 1.58 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 146 A 8.80 5.56 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 0.00 147 T 9.07 4.83 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 0.55 0.00 0.00 148 L 7.74 4.69 0.00 0.47 0.65 0.99 1.14 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 0.00 149 Y 8.87 5.15 0.00 2.48 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 0.00 150 S 9.41 5.59 0.00 4.03 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 0.00 151 R 9.27 4.38 0.00 1.71 1.84 0.00 2.61 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.45 0.00 152 T 7.79 4.68 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 1.23 0.00 0.00 153 Q 7.84 3.53 0.00 0.93 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.97 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 154 T 7.47 4.02 4.18 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 1.12 0.00 0.00 155 P 0.00 4.24 0.00 2.08 2.00 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 156 R 8.25 4.49 0.00 1.81 1.82 0.00 3.16 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.83 0.00 157 A 8.67 3.93 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 0.00 158 E 8.09 3.89 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 159 L 7.79 3.92 0.00 1.88 1.77 1.05 0.89 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 0.00 160 K 8.12 4.15 0.00 1.79 1.50 0.00 1.29 0.00 0.00 0.61 0.00 0.00 2.17 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.83 1.38 7.81 161 E 8.47 3.97 0.00 2.22 2.05 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 2.32 2.38 0.00 162 K 8.19 3.91 0.00 1.89 1.87 0.00 0.96 0.00 0.00 1.23 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.38 7.81 163 F 8.55 4.44 0.00 3.21 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 T 8.55 3.72 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 1.24 0.00 0.00 165 A 8.31 3.98 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 0.00 166 F 8.37 4.13 0.00 3.18 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 0.00 167 C 8.13 3.98 0.00 2.77 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 0.00 168 K 8.15 3.92 0.00 1.88 1.81 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.66 7.81 169 A 7.77 3.99 1.25 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 0.00 0.00 0.00 170 Q 7.28 4.05 0.00 1.96 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.75 0.00 0.00 0.00 0.00 0.00 1.38 1.51 0.00 171 G 7.67 3.74 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 0.00 172 F 7.61 4.27 0.00 3.06 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 0.00 173 T 8.31 4.23 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 174 E 8.88 3.97 0.00 2.06 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 2.35 0.00 175 D 8.10 4.47 0.00 2.68 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 0.00 176 T 7.95 4.26 4.44 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 1.26 0.00 0.00 177 I 7.48 4.43 1.89 0.00 0.00 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 0.94 0.68 0.65 0.00 0.00 178 V 8.62 4.43 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 0.71 0.00 0.00 0.85 0.00 0.00 179 F 8.54 5.05 0.00 2.94 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 0.00 180 L 8.20 4.28 0.00 1.45 1.57 0.82 1.20 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 0.00 181 P 0.00 4.42 0.00 2.12 2.19 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.99 0.00 182 Q 8.65 5.09 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.26 0.00 183 T 8.65 4.73 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 1.30 0.00 0.00 184 D 8.82 4.66 0.00 2.70 2.69 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 0.00 185 K 7.83 4.25 0.00 1.86 1.74 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.41 7.81 186 C 8.76 3.89 0.00 3.16 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 0.00 187 M 7.50 3.98 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.63 0.00 188 T 7.76 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.