NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4308 8.3049 118.1903 55.1558 32.7858 173.9980 2 T 3.8382 8.1771 114.9504 62.9878 69.5970 170.2876 3 E 5.0357 9.2423 127.7112 54.5217 32.7746 174.0605 4 Y 4.8611 9.0005 123.9116 56.1955 41.4850 174.6541 5 K 4.8965 9.4041 124.6158 55.1736 33.7510 175.4057 6 L 5.0308 9.0535 126.1825 52.8371 44.6293 175.9554 7 V 4.7585 8.1740 121.9721 61.0492 34.3913 174.1585 8 V 4.7177 8.8859 128.1220 61.5233 33.3027 174.9223 9 V 4.4047 9.9001 120.4958 59.0530 36.1487 174.8128 10 G 3.8867 8.0039 108.0012 43.4955 0.0000 172.4793 11 A 4.5123 7.7557 122.6306 50.8334 19.0750 177.2914 12 V 3.5677 8.3066 119.3341 64.7033 31.7633 176.6389 13 G 3.7351 8.9169 113.7739 45.9275 0.0000 174.7228 14 V 3.7017 7.3937 113.4227 62.4341 31.9126 177.0419 15 G 4.3015 8.4460 109.5100 45.6582 0.0000 176.0320 16 K 3.9326 8.6253 120.7364 59.4066 32.0660 179.0625 17 S 4.3052 8.3199 115.7281 61.1145 62.8582 176.2885 18 A 4.0172 8.0669 122.9463 55.1897 18.0392 179.5128 19 L 3.9992 8.1584 117.3206 58.3701 41.7490 179.9503 20 T 3.6182 7.9323 115.6044 66.6668 68.3767 176.9824 21 I 3.3844 7.9976 122.1302 63.9373 36.8483 178.3155 22 Q 4.0242 8.1262 122.0100 58.4909 28.7294 177.8568 23 L 3.7874 7.5145 119.8540 58.3504 42.0873 178.6418 24 I 3.9243 7.3665 117.7567 63.1221 36.8071 177.3005 25 Q 4.5139 8.3028 116.2393 54.2792 29.7553 175.4754 26 N 4.3994 8.5844 115.9509 53.2414 36.3154 173.4459 27 H 4.9553 7.3965 107.8405 54.1728 31.9736 171.5243 28 F 4.9312 8.6496 122.3138 56.6314 40.3392 175.2458 29 V 3.7670 7.6932 127.9810 61.8043 31.2933 175.1387 30 D 4.0494 8.2187 128.4183 56.2096 41.1880 177.0146 31 E 4.2886 7.7225 115.8435 55.4339 30.9419 174.8853 32 Y 4.7055 8.3523 119.9882 56.0132 39.6934 174.6202 33 D 4.4230 8.2519 127.5050 51.3478 42.7033 174.3736 34 P 4.1943 0.0000 0.0000 63.0247 31.8852 176.4091 35 T 4.3580 8.3077 118.8861 62.9231 69.0614 174.2650 36 I 4.0404 7.6483 126.0539 61.9152 38.4773 175.7870 37 E 4.7721 7.4842 119.4867 56.1534 33.6533 173.5847 38 D 5.2961 9.1507 125.0657 52.3159 44.7656 175.4094 39 S 5.3177 8.2959 114.4858 56.9309 66.4700 172.7057 40 Y 4.8082 9.0396 118.0296 56.3220 42.0892 174.4070 41 R 5.1833 8.5940 121.8349 54.6446 33.3905 174.1835 42 K 4.6385 8.9826 126.2673 55.0751 36.2614 174.2761 43 Q 4.7720 8.7057 128.6317 55.7681 29.8604 175.1116 44 V 4.5953 8.9029 118.7530 59.9377 36.8817 173.8660 45 V 4.6187 8.3235 123.0377 61.5739 32.8795 175.1792 46 I 4.0560 8.3449 128.8119 60.2039 39.0846 175.4390 47 D 4.2042 9.7433 127.0892 55.4084 38.2108 175.0451 48 G 3.8690 8.4300 104.6523 45.3475 0.0000 173.0762 49 E 4.5076 7.7871 121.6069 54.2448 30.8448 174.8108 50 T 4.6254 8.4676 123.9671 63.6994 69.1008 173.6236 51 C 4.9622 9.3582 120.8828 56.7486 34.2580 172.5205 52 L 4.7826 9.1999 122.1985 53.5813 43.4497 174.9616 53 L 4.9706 8.8633 127.6891 53.8698 43.5493 175.3983 54 D 5.4171 9.0417 124.2095 52.6316 43.4323 175.2616 55 I 5.0126 9.2582 124.9857 59.3770 40.4217 174.2891 56 L 4.8455 9.1411 130.1508 53.7187 43.4465 174.6549 57 D 5.1641 9.4525 128.3111 53.3704 42.0926 175.6873 58 T 4.7888 8.3526 115.9278 59.3727 71.0597 174.3639 59 A 4.1903 8.4942 124.6103 50.9618 18.9998 179.0210 60 G 3.8977 8.2297 112.3320 43.9881 0.0000 173.3250 *67 M 4.4780 7.8036 120.7359 55.4963 34.6573 176.9204 68 R 4.0298 8.0750 117.6818 59.6083 29.6448 177.8561 69 D 4.3834 8.0493 117.4075 57.6283 41.1105 178.3011 70 Q 4.2345 7.9138 119.6598 59.7455 28.2996 179.0954 *71 Y 4.0526 7.8832 121.2442 62.4348 37.0394 180.2194 72 M 4.2446 8.2798 120.5378 57.9790 31.7630 178.9475 73 R 4.0449 7.6285 118.1311 59.3322 30.3222 178.0778 74 T 4.2960 7.4552 110.2887 61.9469 67.9126 175.0629 75 G 3.4930 7.5781 110.1934 46.4528 0.0000 173.3860 76 E 4.3951 8.7570 123.2943 57.8452 30.6985 176.8729 77 G 4.3578 7.5391 104.6148 44.6745 0.0000 171.7300 78 F 5.2511 9.2055 119.9569 55.2617 42.8820 173.9014 79 L 4.5589 8.9297 126.5811 54.2727 43.2323 175.2711 80 C 4.8983 9.1361 126.3626 58.6607 29.1026 172.8483 81 V 4.8811 8.8129 125.6047 61.0591 33.5013 174.6315 82 F 5.1420 9.0303 121.6289 55.1290 42.1756 172.9522 83 A 5.2057 8.8470 120.2261 49.9276 21.1027 178.0269 84 I 4.0911 8.7096 114.9130 62.6697 37.9593 176.9864 85 N 5.2217 7.9626 117.5108 51.6282 37.5912 175.0685 86 N 4.9702 8.1853 118.6846 51.9424 39.8395 174.4875 87 T 3.9632 8.3589 120.4398 66.0409 68.8033 175.5303 88 K 4.2705 8.3707 122.6731 58.9600 32.0504 178.7930 89 S 4.4032 8.1594 113.3747 61.3616 63.1741 175.9603 90 F 3.9935 8.1749 124.1204 61.1806 38.9681 176.9324 91 E 3.7775 8.3944 118.2203 59.5810 29.2653 179.1452 92 D 4.3039 8.3589 118.5516 56.8319 40.7436 178.4892 93 I 3.9227 7.5722 121.0349 64.7143 37.0764 177.2888 94 H 4.2135 7.6463 119.8522 58.9502 29.6005 177.2528 95 Q 3.8726 7.9812 118.8986 58.9731 28.4128 178.0954 96 Y 4.0066 7.7679 117.8259 60.9937 37.8186 178.6125 97 R 3.7451 8.4169 120.0699 59.3702 30.1172 178.3990 98 E 3.8062 8.0201 118.4321 59.3055 29.3172 179.1384 99 Q 3.8701 8.0990 119.6164 59.1175 29.1373 178.3464 100 I 3.2932 7.7139 120.8483 64.2214 37.1967 178.4523 101 K 4.0972 8.0141 120.9137 58.8655 31.5955 179.6727 102 R 3.8724 7.7792 117.2519 59.4679 30.1551 179.3918 103 V 3.7722 7.9353 110.9763 63.4836 31.6072 177.8164 104 K 4.2952 7.9623 115.9055 55.0400 33.4388 175.4882 105 D 4.3750 7.6215 117.9133 54.1953 39.9353 172.8926 106 S 4.5866 7.3326 110.8018 57.6127 65.5362 173.6683 107 D 4.7742 8.6233 124.4661 53.2856 40.0522 176.3083 108 D 4.8673 8.0332 118.9656 52.3938 40.8170 174.0707 109 V 4.4274 7.3965 119.6733 59.7159 34.2233 173.3186 110 P 4.3874 0.0000 0.0000 63.2452 32.1004 175.1655 111 M 5.9621 8.3957 121.9639 54.4560 36.4699 174.2571 112 V 4.5287 8.2696 120.0922 61.1020 35.6325 173.7738 113 L 4.9390 8.8879 130.0023 54.4560 43.6267 175.2435 114 V 4.7199 9.1921 126.5777 61.0738 34.4866 174.3482 115 G 3.4014 8.4699 115.8601 43.8688 0.0000 172.4920 116 N 5.2259 8.4299 126.4764 50.6660 41.9386 174.3860 117 K 4.1729 8.3756 116.7577 57.6570 29.2379 177.1049 118 C 4.3842 8.1675 112.4132 59.1930 29.7998 173.9404 119 D 4.4383 7.7751 119.7653 55.0669 39.7069 176.6234 120 L 4.3184 7.6045 119.5898 54.1386 42.4998 176.3772 121 A 4.4576 8.2971 121.9724 52.5203 20.6650 177.3702 122 A 4.3321 7.6140 120.7860 51.4863 17.8065 177.7639 123 R 4.3032 7.7070 122.3330 56.7036 31.0206 175.8293 124 T 4.4032 8.8237 114.1386 60.9014 70.2993 173.8173 125 V 4.0707 7.5831 122.0777 60.9627 32.5595 174.8088 126 E 4.2485 9.0724 128.0753 55.6720 30.5144 177.8568 127 S 4.2246 8.8987 116.4309 62.0193 62.3653 176.8220 128 R 3.8951 7.9832 120.4541 59.4332 29.7334 178.3078 129 Q 3.9011 7.8582 117.3125 58.8744 28.6073 178.6214 130 A 3.9489 7.4455 121.2316 54.9192 18.2752 179.3756 131 Q 3.9352 8.0850 117.0227 59.3222 28.7853 178.9929 132 D 4.2804 8.0648 119.7206 57.0968 40.8980 178.5772 133 L 3.5522 7.6473 120.0971 58.0052 42.0714 178.7314 134 A 3.9592 7.9818 120.8543 55.2836 18.3233 179.4881 135 R 3.8614 8.1843 117.4651 59.6457 29.9076 178.8963 136 S 4.1820 7.7095 113.0259 61.3337 62.8392 175.3575 137 Y 4.7071 7.8242 118.4657 57.5296 37.8383 175.7875 138 G 3.6916 8.2355 108.0922 46.5614 0.0000 173.1790 139 I 4.8836 7.8619 110.9983 58.0376 41.3863 173.2209 140 P 4.6742 0.0000 0.0000 62.5797 32.5414 174.5119 141 Y 5.5159 8.6042 122.9596 56.1216 41.5605 174.3711 142 I 4.4324 8.1499 126.1361 59.4685 41.7906 174.2455 143 E 4.7917 8.2381 125.6190 55.5701 31.3896 175.2480 144 T 4.9935 8.7055 112.3833 60.1398 73.3294 172.7546 145 S 4.7192 8.9334 116.4715 56.4383 64.6941 174.7015 146 A 4.1149 8.5796 130.2315 54.7612 18.6265 178.6529 147 K 2.7633 7.7737 116.6195 59.0135 32.2151 177.8492 148 T 4.0613 7.5520 105.7350 61.4703 69.4880 175.8763 149 R 4.0027 8.0004 121.0522 55.9281 29.1725 175.8051 150 Q 4.0236 7.6114 119.9613 57.4938 29.3381 177.6119 151 G 3.9574 8.8290 111.3972 46.3098 0.0000 175.4798 152 V 3.5523 7.7465 119.8124 66.1688 31.5204 177.6767 153 E 3.5827 7.9637 117.7842 59.1565 29.2714 178.5210 154 D 4.2597 7.9939 117.3021 57.3352 41.2275 178.1025 155 A 3.8445 8.1922 121.2673 55.3220 18.4130 179.6929 156 F 4.0419 7.9813 115.8137 60.9961 38.9194 177.6968 157 Y 4.3131 8.6134 116.8616 61.3158 37.5474 178.4844 158 T 3.8740 8.5843 117.2674 66.4763 68.4430 176.2940 159 L 3.9227 7.9163 122.1893 58.1278 42.1512 179.0232 160 V 3.2809 7.6858 118.1225 66.2424 31.1199 178.2967 161 R 3.9425 7.8889 116.5209 59.0981 30.1007 178.6346 162 E 4.3211 8.5366 119.1190 59.3916 29.4691 179.2850 163 I 3.7389 8.0469 120.1589 64.4930 36.9998 178.6086 164 R 4.1851 7.9966 117.3161 58.5169 29.9461 178.1513 165 Q 4.3324 7.8551 116.3405 56.9417 29.1557 175.4208 166 H 4.4574 8.1511 122.1803 55.9115 28.9067 174.9384 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.43 0.00 2.13 2.33 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 2 T 8.18 3.84 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 0.63 0.00 0.00 3 E 9.24 5.04 0.00 1.87 1.69 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 2.33 2.22 0.00 4 Y 9.00 4.86 0.00 2.87 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 5 K 9.40 4.90 0.00 1.68 1.73 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.68 7.81 6 L 9.05 5.03 0.00 1.63 1.59 1.14 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.17 4.76 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 1.15 0.00 0.00 0.65 0.00 0.00 8 V 8.89 4.72 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 0.92 0.00 0.00 1.08 0.00 0.00 9 V 9.90 4.40 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 0.86 0.00 0.00 1.02 0.00 0.00 10 G 8.00 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 11 A 7.76 4.51 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 12 V 8.31 3.57 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 0.91 0.00 0.00 1.02 0.00 0.00 13 G 8.92 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 14 V 7.39 3.70 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 0.80 0.00 0.00 0.96 0.00 0.00 15 G 8.45 4.30 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 0.00 16 K 8.63 3.93 0.00 1.86 2.03 0.00 1.83 0.00 0.00 1.83 0.00 0.00 3.17 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.54 7.81 17 S 8.32 4.31 0.00 3.92 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 18 A 8.07 4.02 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 19 L 8.16 4.00 0.00 2.05 1.97 0.86 0.62 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 20 T 7.93 3.62 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 0.67 0.00 0.00 21 I 8.00 3.38 1.81 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 1.29 0.35 0.79 0.00 0.00 22 Q 8.13 4.02 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.24 0.00 23 L 7.51 3.79 0.00 1.17 1.23 0.70 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.37 3.92 1.65 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.62 0.94 0.00 0.00 25 Q 8.30 4.51 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.31 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 26 N 8.58 4.40 0.00 2.90 2.91 0.00 0.00 6.73 7.44 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 27 H 7.40 4.96 0.00 3.36 3.37 0.00 5.44 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.65 4.93 0.00 2.90 3.04 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 0.00 0.00 0.00 0.00 29 V 7.69 3.77 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.85 0.00 0.00 30 D 8.22 4.05 0.00 2.64 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 31 E 7.72 4.29 0.00 2.07 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 2.21 2.39 0.00 32 Y 8.35 4.71 0.00 2.85 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 33 D 8.25 4.42 0.00 2.56 2.44 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 34 P 0.00 4.19 0.00 1.93 2.00 0.00 3.32 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.52 0.00 35 T 8.31 4.36 4.31 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 1.35 0.00 0.00 36 I 7.65 4.04 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.77 0.92 0.00 0.00 37 E 7.48 4.77 0.00 1.86 1.84 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 2.32 2.29 0.00 38 D 9.15 5.30 0.00 2.65 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.30 5.32 0.00 3.80 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 40 Y 9.04 4.81 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.59 5.18 0.00 1.92 1.76 0.00 3.23 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 42 K 8.98 4.64 0.00 1.85 1.57 0.00 1.74 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.40 7.81 43 Q 8.71 4.77 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.54 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 44 V 8.90 4.60 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 0.66 0.00 0.00 0.93 0.00 0.00 45 V 8.32 4.62 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 0.78 0.00 0.00 0.93 0.00 0.00 46 I 8.34 4.06 1.57 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.18 0.09 0.44 0.00 0.00 47 D 9.74 4.20 0.00 2.74 2.70 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 48 G 8.43 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 0.00 0.00 0.00 49 E 7.79 4.51 0.00 2.03 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 2.27 2.28 0.00 50 T 8.47 4.63 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 51 C 9.36 4.96 0.00 3.24 3.12 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 52 L 9.20 4.78 0.00 1.74 1.58 0.93 0.85 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 53 L 8.86 4.97 0.00 1.76 1.62 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 54 D 9.04 5.42 0.00 2.78 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 9.26 5.01 1.97 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 1.21 0.78 1.07 0.00 0.00 56 L 9.14 4.85 0.00 1.74 1.56 1.05 1.02 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 57 D 9.45 5.16 0.00 3.02 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 58 T 8.35 4.79 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 1.35 0.00 0.00 59 A 8.49 4.19 1.43 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 0.00 0.00 60 G 8.23 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 *67 M 7.80 4.48 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 68 R 8.08 4.03 0.00 1.98 2.01 0.00 3.38 0.00 0.00 3.60 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.84 0.00 69 D 8.05 4.38 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 70 Q 7.91 4.23 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 *71 Y 7.88 4.05 0.00 2.32 2.30 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 72 M 8.28 4.24 0.00 2.35 2.47 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.89 0.00 73 R 7.63 4.04 0.00 1.98 2.05 0.00 3.18 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.86 0.00 74 T 7.46 4.30 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 1.29 0.00 0.00 75 G 7.58 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 0.00 0.00 0.00 76 E 8.76 4.40 0.00 2.03 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 0.00 2.32 2.27 0.00 77 G 7.54 4.36 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 78 F 9.21 5.25 0.00 3.02 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 79 L 8.93 4.56 0.00 1.61 1.44 0.60 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 80 C 9.14 4.90 0.00 3.05 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 81 V 8.81 4.88 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 0.94 0.00 0.00 0.91 0.00 0.00 82 F 9.03 5.14 0.00 3.20 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 83 A 8.85 5.21 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 84 I 8.71 4.09 1.92 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 1.33 1.12 1.02 0.00 0.00 85 N 7.96 5.22 0.00 2.91 2.94 0.00 0.00 6.09 8.04 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 86 N 8.19 4.97 0.00 2.80 2.92 0.00 0.00 7.25 7.38 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 87 T 8.36 3.96 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 88 K 8.37 4.27 0.00 1.90 1.86 0.00 1.68 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.62 7.81 89 S 8.16 4.40 0.00 4.24 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 90 F 8.17 3.99 0.00 2.64 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 91 E 8.39 3.78 0.00 2.19 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 2.35 2.63 0.00 92 D 8.36 4.30 0.00 3.10 2.94 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 93 I 7.57 3.92 1.80 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.93 1.09 0.00 0.00 94 H 7.65 4.21 0.00 3.32 3.29 0.00 5.83 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 95 Q 7.98 3.87 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 96 Y 7.77 4.01 0.00 3.31 3.01 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 97 R 8.42 3.75 0.00 1.57 1.79 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.31 0.00 98 E 8.02 3.81 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 99 Q 8.10 3.87 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 100 I 7.71 3.29 1.71 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.64 0.11 0.00 0.00 101 K 8.01 4.10 0.00 1.79 1.78 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.20 7.81 102 R 7.78 3.87 0.00 1.88 1.95 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 103 V 7.94 3.77 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 0.84 0.00 0.00 0.98 0.00 0.00 104 K 7.96 4.30 0.00 1.76 1.87 0.00 1.99 0.00 0.00 2.03 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.64 7.81 105 D 7.62 4.37 0.00 2.76 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 0.00 106 S 7.33 4.59 0.00 3.86 3.63 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 0.00 107 D 8.62 4.77 0.00 2.79 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 0.00 108 D 8.03 4.87 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.40 4.43 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.91 0.00 0.00 110 P 0.00 4.39 0.00 2.20 1.85 0.00 3.85 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 2.18 1.69 0.00 111 M 8.40 5.96 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.50 0.00 112 V 8.27 4.53 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 1.06 0.00 0.00 0.97 0.00 0.00 113 L 8.89 4.94 0.00 2.07 1.97 1.30 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 114 V 9.19 4.72 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 0.84 0.00 0.00 0.78 0.00 0.00 115 G 8.47 3.40 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 0.00 116 N 8.43 5.23 0.00 2.70 2.70 0.00 0.00 7.06 6.08 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 0.00 117 K 8.38 4.17 0.00 1.99 1.86 0.00 1.89 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.39 7.81 118 C 8.17 4.38 0.00 3.02 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 0.00 119 D 7.78 4.44 0.00 2.71 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 0.00 120 L 7.60 4.32 0.00 1.78 1.62 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.30 4.46 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 0.00 122 A 7.61 4.33 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 0.00 123 R 7.71 4.30 0.00 1.78 1.85 0.00 3.17 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 124 T 8.82 4.40 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 1.21 0.00 0.00 125 V 7.58 4.07 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 -0.16 0.00 0.00 0.76 0.00 0.00 126 E 9.07 4.25 0.00 1.93 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 2.26 2.34 0.00 127 S 8.90 4.22 0.00 3.97 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 0.00 128 R 7.98 3.90 0.00 1.95 1.88 0.00 3.27 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 129 Q 7.86 3.90 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 130 A 7.45 3.95 0.38 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 0.00 131 Q 8.08 3.94 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.59 2.68 0.00 132 D 8.06 4.28 0.00 2.85 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 0.00 133 L 7.65 3.55 0.00 1.56 1.67 0.18 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.98 3.96 1.49 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 0.00 0.00 135 R 8.18 3.86 0.00 1.95 2.10 0.00 3.11 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 136 S 7.71 4.18 0.00 4.06 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 0.00 137 Y 7.82 4.71 0.00 3.14 2.94 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 0.00 138 G 8.24 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 0.00 139 I 7.86 4.88 2.16 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.92 1.08 0.00 0.00 140 P 0.00 4.67 0.00 2.14 2.04 0.00 3.62 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 2.15 2.12 0.00 141 Y 8.60 5.52 0.00 3.07 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 0.00 142 I 8.15 4.43 1.69 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 1.12 0.62 0.75 0.00 0.00 143 E 8.24 4.79 0.00 1.73 1.70 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 2.13 1.87 0.00 144 T 8.71 4.99 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 1.09 0.00 0.00 145 S 8.93 4.72 0.00 3.75 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.58 4.11 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 7.77 2.76 0.00 0.79 1.33 0.00 1.38 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.98 0.43 7.81 148 T 7.55 4.06 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 1.08 0.00 0.00 149 R 8.00 4.00 0.00 2.06 2.12 0.00 3.23 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 1.56 1.51 0.00 150 Q 7.61 4.02 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.82 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 151 G 8.83 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 0.00 0.00 0.00 152 V 7.75 3.55 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.00 0.00 0.00 153 E 7.96 3.58 0.00 1.79 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 1.94 2.15 0.00 154 D 7.99 4.26 0.00 2.63 2.70 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 0.00 155 A 8.19 3.84 1.15 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 0.00 0.00 156 F 7.98 4.04 0.00 3.03 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 0.00 157 Y 8.61 4.31 0.00 3.04 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 0.00 158 T 8.58 3.87 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 159 L 7.92 3.92 0.00 1.73 1.86 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.69 3.28 1.99 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 0.13 0.00 0.00 0.64 0.00 0.00 161 R 7.89 3.94 0.00 1.97 1.98 0.00 3.25 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 162 E 8.54 4.32 0.00 2.12 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 2.53 0.00 163 I 8.05 3.74 2.08 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.92 1.12 0.00 0.00 164 R 8.00 4.19 0.00 1.98 2.05 0.00 3.07 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.86 0.00 165 Q 7.86 4.33 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 166 H 8.15 4.46 0.00 3.17 3.27 0.00 5.88 0.00 0.00 0.00 0.00 6.91 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.