NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.2823 8.3144 122.1409 53.5242 34.3513 175.0242 8 V 3.9243 7.8700 114.8973 62.1766 33.4709 175.2258 9 D 4.4876 9.8365 129.2458 56.3835 42.7729 176.2056 10 I 5.0027 7.4395 117.8360 59.2360 41.5441 174.1552 11 L 4.9345 8.8814 128.8923 53.6501 44.0486 174.2719 12 Y 5.2278 9.0301 129.3764 56.1297 40.8917 174.5704 13 L 4.6840 9.0334 128.7522 54.2126 42.5941 175.4982 14 E 4.7308 8.5793 124.2066 54.9451 33.2167 175.0886 15 D 4.7863 8.6218 123.4993 52.5485 40.7021 175.4041 16 D 4.6014 8.2448 121.0273 53.4555 42.1899 176.6058 17 E 3.9872 8.7423 127.4649 59.3409 29.4585 179.5045 18 V 3.6417 8.1177 118.5647 65.9550 31.5588 177.7727 19 D 4.4726 8.3429 118.2063 57.3693 40.6955 178.7126 20 I 3.8456 7.8891 120.2144 64.6690 37.1553 178.5578 21 Q 4.0643 8.0388 118.6416 58.9565 28.5212 179.0727 22 S 4.1221 8.5413 116.6338 61.6697 62.9366 176.9594 23 V 3.6381 8.1327 121.0492 66.0966 31.2013 177.9234 24 E 4.1250 8.4273 118.4377 59.3594 29.2785 179.3689 25 R 3.8915 8.2641 118.9546 59.2597 29.8879 178.7070 26 V 3.5108 7.8666 118.0601 66.1791 31.4472 178.1296 27 F 4.2184 8.1374 117.4826 60.6495 38.4899 177.2024 28 H 4.3669 8.3847 118.8448 58.6472 29.7040 177.2489 29 K 4.1341 7.9507 119.3069 58.7102 31.8522 179.0045 30 I 3.9103 6.8361 119.9152 62.5108 37.4626 176.3183 31 S 4.4022 7.7156 111.9671 57.3807 65.5478 175.2977 32 S 4.3153 8.6235 120.9839 59.2796 63.2840 174.3945 33 L 4.3838 7.8347 120.5399 54.7403 41.8777 176.3976 34 I 4.0859 7.4933 120.8050 60.5457 37.2241 175.3807 35 K 4.3558 9.4446 127.1219 55.5537 33.0980 176.0282 36 I 4.8465 8.3116 126.1543 59.3618 39.4606 174.7115 37 E 4.7267 9.2166 128.0459 54.4491 32.3542 174.3059 38 I 4.9731 8.3381 125.7987 59.4699 39.6214 174.6062 39 A 4.6066 8.7473 128.6016 49.9823 21.2656 176.6727 40 K 4.6562 9.4602 121.5558 55.3034 32.6131 176.8642 41 S 4.6005 7.1680 113.2068 56.3450 66.4359 176.2117 42 G 3.4042 8.3364 109.3925 47.8385 0.0000 175.6317 43 N 4.4072 8.1392 118.3618 56.4036 38.4140 177.1164 44 Q 3.9683 7.9521 119.3166 58.8600 29.1730 177.6157 45 A 4.0600 7.6523 121.1802 55.2085 18.6738 179.3213 46 L 4.2001 8.1862 117.4544 57.8481 41.6325 180.0391 47 D 4.7093 8.0729 115.9089 55.1639 40.4659 178.2696 *49 L 4.1000 7.8837 121.4155 54.5199 43.4047 177.4069 50 Y 4.5710 8.1404 114.0480 57.2230 39.0165 175.2064 51 G 3.8647 8.2812 107.2221 46.7022 0.0000 171.9644 52 R 4.6319 7.8910 114.3338 54.2928 33.3911 174.1859 53 N 4.1495 9.5878 112.9990 54.8429 36.9946 174.4939 54 K 3.9874 8.1830 112.3737 56.7149 30.1464 176.0294 55 E 4.5735 7.9567 119.5544 54.9057 30.8881 174.9400 56 N 4.7268 8.4823 120.3449 52.4354 39.6223 174.9993 57 K 4.2210 8.7919 125.4157 56.6839 32.7676 175.7884 58 I 4.6751 8.3202 119.7523 59.5494 40.8403 175.2089 59 H 4.8308 8.6116 119.9871 53.1630 29.0250 171.3870 60 P 5.3507 0.0000 0.0000 61.8428 32.6774 177.6903 61 K 4.2797 8.5867 119.5633 58.7175 33.4010 176.8730 62 L 5.3739 8.2337 118.3559 52.8598 46.2444 175.8474 63 I 4.8753 8.8572 122.6941 59.4821 40.3118 174.1558 64 L 5.0231 9.0295 129.7835 53.3232 44.1915 174.5742 65 L 4.9194 8.9193 129.4493 53.2110 44.4090 174.7587 66 D 5.2102 8.7523 127.5864 53.7274 41.2362 175.3365 67 I 4.3572 8.4842 119.8402 60.8439 38.3379 175.9429 68 N 4.7808 8.7964 118.7789 53.5199 37.3418 175.4906 69 I 4.2900 7.3365 121.4505 58.7037 36.8880 174.0095 70 P 4.5053 0.0000 0.0000 65.6232 31.7232 178.2934 71 K 4.1062 7.1250 117.8450 56.0319 31.2265 179.0340 *73 N 4.5939 7.8929 117.2543 53.3685 39.7479 173.1188 74 G 3.8295 8.4353 114.8133 47.5541 0.0000 173.1281 75 I 3.8999 7.8983 121.6385 64.4101 37.2060 178.2077 76 E 4.0036 9.1922 119.8793 59.1348 29.1595 179.1919 77 F 4.1581 8.2412 120.3400 61.4735 39.4886 177.2345 78 L 3.7626 8.5045 118.9701 57.5623 41.1409 179.7409 79 K 3.9443 8.1231 118.0318 59.4798 32.4515 178.7089 80 E 4.0748 8.1199 119.6134 58.9390 29.4357 178.4238 81 L 3.8878 7.8069 120.7658 58.2952 41.9570 178.8837 82 R 4.2302 7.9714 114.8912 57.6602 30.1772 177.4498 83 D 4.8059 7.7377 117.5476 53.3574 41.5871 175.3117 84 D 4.8218 7.5009 120.7659 51.9603 42.3870 176.8993 85 S 4.3784 8.3984 121.1546 60.1350 63.2230 176.3917 86 S 3.9680 8.1401 117.3077 60.6111 62.7315 174.8670 87 F 5.0478 7.4790 117.7698 57.3479 39.2765 177.3840 88 T 3.9054 7.7260 120.5891 66.9254 68.2618 175.5101 89 D 4.6274 7.9617 117.6637 55.1034 41.3506 176.1487 90 I 4.2226 7.5535 121.7840 61.0549 37.7345 175.5282 91 E 4.4199 8.8968 127.1100 55.5079 31.3707 175.5183 92 V 4.9153 8.1306 122.5903 61.1043 34.8244 173.9701 93 F 5.1426 9.1970 125.7371 55.7711 42.4960 174.4350 94 V 4.6768 8.3916 116.5743 59.8260 33.9984 174.5914 95 L 5.2650 9.0732 126.4927 53.6903 44.6397 175.0491 96 T 5.0454 8.8588 118.9509 61.2505 71.0851 173.7958 97 A 4.2790 8.9656 126.7627 52.7389 19.4043 177.7877 98 A 4.2473 8.1468 118.6583 51.6207 20.2294 175.3092 99 Y 4.5694 8.6558 124.7211 57.6751 39.4067 175.1290 100 T 4.3614 8.3835 118.5448 59.9088 72.6361 175.4876 101 S 4.0350 8.2885 116.4712 61.4578 62.6704 176.8704 102 K 3.8501 7.8329 121.8807 59.4903 32.0272 178.4063 103 D 4.0661 7.5199 118.6790 57.0260 40.4649 178.4531 104 K 4.0974 7.3359 120.0971 59.0272 32.6262 178.3402 105 L 4.0958 7.9139 118.7068 57.8199 41.3043 179.4820 106 A 3.9281 7.7847 119.6746 54.5553 18.5604 178.7935 107 F 4.7295 7.9431 114.1136 57.5756 39.1622 177.2790 108 E 3.9505 7.6123 119.4458 59.0381 29.3922 177.7516 109 S 4.6728 8.0450 109.1664 58.1961 63.3404 173.9775 110 L 4.4163 7.9006 119.4109 53.9583 42.0797 176.1792 111 N 4.0604 7.9109 115.8085 54.4865 36.7906 173.3892 112 I 4.2190 7.1851 118.0041 59.5288 39.1352 176.8483 113 R 3.6868 8.3737 126.3370 58.2929 30.2107 175.9601 114 G 4.0713 6.1474 103.6296 46.3210 0.0000 171.3404 115 H 5.5334 8.5525 114.6312 53.5259 31.4524 173.2781 116 L 4.7956 9.0437 119.6127 53.0879 45.3752 175.3830 117 I 4.9365 8.1966 123.4392 59.5761 38.4666 175.9598 118 K 4.2869 8.9362 127.6078 55.8617 32.5979 175.3386 119 P 4.4181 0.0000 0.0000 62.0139 32.3247 176.4578 120 L 4.8134 8.4839 122.0054 54.2178 40.9226 176.2260 121 D 4.7743 7.8999 127.5537 51.6637 43.2202 175.4318 122 Y 3.9466 8.5278 118.7547 61.2195 38.1061 178.6408 123 G 3.5634 8.1206 105.7636 48.0249 0.0000 175.2904 124 E 3.8227 7.9668 120.9888 58.7945 29.3793 179.2947 125 A 3.4452 7.7054 121.0351 54.9653 18.2882 179.5899 126 I 3.3659 7.4439 117.4872 63.6951 37.7539 178.0526 127 K 4.0518 7.5498 120.3131 59.5112 31.9740 178.8678 128 L 3.9141 7.7220 119.2500 57.4816 41.4861 179.1272 129 F 4.0754 8.4344 121.0941 61.2276 39.3025 177.3295 130 W 4.2493 8.0497 118.3595 59.5421 28.5511 178.7157 131 I 3.9426 7.2685 120.7418 63.6494 36.5946 177.9708 132 L 4.0900 7.7724 119.0677 57.8363 41.5117 179.4092 133 Q 4.0118 7.4829 116.7804 58.8394 28.5892 177.1643 134 S 4.4365 8.6169 119.9110 58.8822 62.7870 173.7850 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 7 K 8.31 4.28 0.00 1.79 1.58 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 8 V 7.87 3.92 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 0.93 0.00 0.00 0.93 0.00 0.00 9 D 9.84 4.49 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.44 5.00 1.61 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.56 0.76 0.00 0.00 11 L 8.88 4.93 0.00 1.72 1.52 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 9.03 5.23 0.00 2.89 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 9.03 4.68 0.00 1.55 1.41 0.70 -0.49 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 14 E 8.58 4.73 0.00 1.16 1.12 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 1.81 2.08 0.00 15 D 8.62 4.79 0.00 2.71 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 16 D 8.24 4.60 0.00 2.78 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 17 E 8.74 3.99 0.00 2.01 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 2.38 2.30 0.00 18 V 8.12 3.64 2.23 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 1.10 0.00 0.00 0.94 0.00 0.00 19 D 8.34 4.47 0.00 2.93 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 20 I 7.89 3.85 2.03 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 1.36 0.84 0.93 0.00 0.00 21 Q 8.04 4.06 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 22 S 8.54 4.12 0.00 4.04 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 23 V 8.13 3.64 2.34 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 0.98 0.00 0.00 0.98 0.00 0.00 24 E 8.43 4.13 0.00 2.13 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 2.41 2.64 0.00 25 R 8.26 3.89 0.00 2.00 2.08 0.00 3.09 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 26 V 7.87 3.51 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 0.68 0.00 0.00 1.00 0.00 0.00 27 F 8.14 4.22 0.00 3.23 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 28 H 8.38 4.37 0.00 3.30 3.52 0.00 5.60 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.95 4.13 0.00 1.94 1.83 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.72 7.81 30 I 6.84 3.91 1.91 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.58 0.34 0.00 0.00 31 S 7.72 4.40 0.00 3.59 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.62 4.32 0.00 3.98 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 33 L 7.83 4.38 0.00 1.65 1.74 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.49 4.09 1.87 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.50 0.68 0.00 0.00 35 K 9.44 4.36 0.00 1.73 1.72 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.57 7.81 36 I 8.31 4.85 1.85 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 0.91 0.39 0.93 0.00 0.00 37 E 9.22 4.73 0.00 2.02 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 2.19 2.28 0.00 38 I 8.34 4.97 1.83 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.03 0.78 0.00 0.00 39 A 8.75 4.61 1.14 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 0.00 0.00 40 K 9.46 4.66 0.00 1.65 1.76 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.25 7.81 41 S 7.17 4.60 0.00 3.95 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 42 G 8.34 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 43 N 8.14 4.41 0.00 2.79 2.92 0.00 0.00 6.78 7.77 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 44 Q 7.95 3.97 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 45 A 7.65 4.06 1.04 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 0.00 0.00 46 L 8.19 4.20 0.00 2.06 2.05 1.22 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.07 4.71 0.00 2.91 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 *49 L 7.88 4.10 0.00 1.31 1.09 0.28 0.56 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 50 Y 8.14 4.57 0.00 3.16 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 51 G 8.28 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 52 R 7.89 4.63 0.00 1.98 2.08 0.00 2.94 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.69 0.00 53 N 9.59 4.15 0.00 2.83 2.98 0.00 0.00 6.99 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.18 3.99 0.00 1.97 1.96 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.46 7.81 55 E 7.96 4.57 0.00 2.27 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 2.44 2.42 0.00 56 N 8.48 4.73 0.00 2.62 2.76 0.00 0.00 6.94 7.61 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 57 K 8.79 4.22 0.00 1.81 1.77 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.60 7.81 58 I 8.32 4.68 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.80 0.96 0.00 0.00 59 H 8.61 4.83 0.00 3.08 3.28 0.00 5.89 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 5.35 0.00 2.35 2.03 0.00 3.34 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 61 K 8.59 4.28 0.00 1.88 1.89 0.00 1.57 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.46 7.81 62 L 8.23 5.37 0.00 1.56 1.57 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.86 4.88 1.94 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 1.15 0.81 1.04 0.00 0.00 64 L 9.03 5.02 0.00 1.68 1.52 0.89 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.92 4.92 0.00 1.84 1.54 0.88 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.75 5.21 0.00 3.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.48 4.36 2.09 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.91 1.11 0.00 0.00 68 N 8.80 4.78 0.00 2.91 2.90 0.00 0.00 6.77 7.93 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 69 I 7.34 4.29 1.87 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 1.41 0.95 0.89 0.00 0.00 70 P 0.00 4.51 0.00 2.04 2.15 0.00 3.68 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 2.05 2.15 0.00 71 K 7.12 4.11 0.00 1.90 1.81 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.37 7.81 *73 N 7.89 4.59 0.00 2.82 2.84 0.00 0.00 6.94 7.97 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 74 G 8.44 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 75 I 7.90 3.90 2.03 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.70 0.89 0.00 0.00 76 E 9.19 4.00 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 2.36 2.60 0.00 77 F 8.24 4.16 0.00 3.21 3.33 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 78 L 8.50 3.76 0.00 1.97 1.78 1.18 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.12 3.94 0.00 1.89 1.88 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.72 7.81 80 E 8.12 4.07 0.00 2.16 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 2.41 2.37 0.00 81 L 7.81 3.89 0.00 1.03 1.49 0.33 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.97 4.23 0.00 1.86 1.97 0.00 3.38 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.95 0.00 83 D 7.74 4.81 0.00 2.86 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 84 D 7.50 4.82 0.00 2.74 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 85 S 8.40 4.38 0.00 3.99 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 86 S 8.14 3.97 0.00 2.79 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.48 5.05 0.00 3.19 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 88 T 7.73 3.91 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 89 D 7.96 4.63 0.00 2.69 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 90 I 7.55 4.22 2.02 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 1.48 0.57 0.92 0.00 0.00 91 E 8.90 4.42 0.00 1.96 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 2.30 2.42 0.00 92 V 8.13 4.92 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 1.01 0.00 0.00 0.94 0.00 0.00 93 F 9.20 5.14 0.00 2.93 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 94 V 8.39 4.68 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 0.01 0.00 0.00 0.82 0.00 0.00 95 L 9.07 5.27 0.00 1.72 1.59 0.99 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 96 T 8.86 5.05 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 97 A 8.97 4.28 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 98 A 8.15 4.25 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 99 Y 8.66 4.57 0.00 3.06 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 0.00 100 T 8.38 4.36 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 1.23 0.00 0.00 101 S 8.29 4.03 0.00 3.84 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 0.00 102 K 7.83 3.85 0.00 1.74 1.70 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.45 7.81 103 D 7.52 4.07 0.00 2.04 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 0.00 104 K 7.34 4.10 0.00 1.72 2.01 0.00 1.73 0.00 0.00 1.59 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.50 7.81 105 L 7.91 4.10 0.00 1.86 1.64 0.96 0.61 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 0.00 106 A 7.78 3.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 F 7.94 4.73 0.00 3.24 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 0.00 108 E 7.61 3.95 0.00 2.02 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 2.35 2.35 0.00 109 S 8.05 4.67 0.00 4.02 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 0.00 110 L 7.90 4.42 0.00 1.97 1.83 1.09 1.11 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 0.00 111 N 7.91 4.06 0.00 2.77 2.78 0.00 0.00 7.06 7.94 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 0.00 112 I 7.19 4.22 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.83 0.74 0.00 0.00 113 R 8.37 3.69 0.00 1.40 0.90 0.00 3.52 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.40 0.00 114 G 6.15 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 0.00 115 H 8.55 5.53 0.00 2.62 2.53 0.00 5.47 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 0.00 116 L 9.04 4.80 0.00 1.50 1.70 0.70 0.71 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 0.00 117 I 8.20 4.94 1.89 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 1.37 0.85 0.95 0.00 0.00 118 K 8.94 4.29 0.00 1.65 1.77 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.50 7.81 119 P 0.00 4.42 0.00 2.17 2.05 0.00 3.76 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 1.97 1.94 0.00 120 L 8.48 4.81 0.00 1.56 1.56 0.82 0.99 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 0.00 121 D 7.90 4.77 0.00 2.97 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 0.00 122 Y 8.53 3.95 0.00 3.03 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 0.00 123 G 8.12 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 0.00 124 E 7.97 3.82 0.00 1.93 1.81 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 2.21 2.22 0.00 125 A 7.71 3.45 0.34 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 0.00 126 I 7.44 3.37 0.94 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.23 0.71 0.00 0.00 127 K 7.55 4.05 0.00 1.92 1.86 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.39 1.50 7.81 128 L 7.72 3.91 0.00 2.08 1.69 0.87 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 129 F 8.43 4.08 0.00 2.96 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 0.00 130 W 8.05 4.25 0.00 3.43 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 0.00 131 I 7.27 3.94 2.08 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.13 1.03 0.00 0.00 132 L 7.77 4.09 0.00 1.59 1.60 0.85 0.83 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 0.00 133 Q 7.48 4.01 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.95 0.00 0.00 0.00 0.00 0.00 1.50 1.96 0.00 134 S 8.62 4.44 0.00 4.01 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 0.00 * Residues marked with a * may have inaccurate shift predictions.