NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7319 8.1633 120.2779 55.2221 34.1945 173.9551 2 K 4.8498 8.8389 120.8082 53.6350 36.8718 173.6033 3 K 4.6519 9.7373 127.0516 55.8468 34.1811 174.9706 4 I 4.8581 9.1449 129.2258 59.7918 39.4006 174.3155 5 E 5.1238 9.3607 127.2400 54.5300 32.1364 174.8591 6 A 4.9018 9.1890 127.2726 50.0962 22.1107 174.6674 7 I 4.8339 8.6208 124.9685 60.3361 38.8436 175.3777 8 I 5.1801 8.9220 120.0467 58.5954 42.0052 174.9643 9 R 4.2133 8.3440 121.2191 55.7213 30.6661 176.4075 10 P 4.3002 0.0000 0.0000 65.6208 31.1580 178.7701 11 F 4.4674 8.1776 111.6035 58.9480 38.2421 176.5280 12 K 3.9495 7.4547 118.1962 56.3969 31.9281 178.0638 13 L 3.8525 7.6549 122.4323 58.3444 42.0132 178.2069 14 D 4.3209 8.0834 117.1550 57.5971 41.1614 178.0393 15 E 3.9739 8.0622 118.4722 59.1469 29.5113 179.1322 16 V 3.5263 7.7109 118.3760 65.8937 31.5364 177.7700 17 K 3.8384 8.2297 119.4572 59.8570 32.0241 178.7415 18 I 3.6987 7.8338 119.6170 64.2712 36.8572 178.3686 19 A 4.0190 8.1624 121.7226 54.9222 18.1642 179.7830 20 L 3.9074 8.0804 117.5744 57.9008 41.7773 179.7605 21 V 3.6705 7.8687 118.1336 66.3018 31.3014 177.8544 22 N 4.3973 8.0307 114.1840 56.0151 38.4910 175.6745 23 A 4.2912 7.6413 119.3112 51.9319 18.6220 178.0440 24 G 3.8192 8.6665 105.1815 46.1040 0.0000 174.6339 25 I 4.0453 7.6017 121.0969 59.8251 36.0744 175.4945 26 V 4.1321 9.3599 118.9119 61.9692 32.4245 174.3132 27 G 3.6502 7.7787 116.0077 44.7504 0.0000 170.6402 28 M 4.9499 7.7740 122.4373 54.5864 34.1692 174.0700 29 T 4.7370 9.0264 116.6358 61.7931 72.3779 173.2462 30 V 4.9485 8.4140 124.3850 61.3287 34.4544 174.6101 31 S 4.8382 8.8655 122.2402 56.6565 67.4574 172.3670 32 E 4.6728 8.6927 122.9715 55.5692 30.5781 175.4961 33 V 4.6701 8.7612 118.7965 59.8823 36.7637 174.1839 34 R 5.1567 8.1407 119.3561 55.0070 33.3464 175.3638 35 G 4.4217 8.9621 107.7859 46.0044 0.0000 171.8701 36 F 5.3141 8.2891 114.1088 55.0303 41.1240 175.2190 37 G 4.3344 8.5884 108.5706 44.9648 0.0000 175.4413 38 R 3.9280 8.9918 119.2645 59.5632 30.3375 177.3261 39 Q 4.2695 8.1099 113.7063 55.0965 29.3515 175.6763 40 K 3.0842 8.8034 117.3009 57.5285 29.7444 177.3147 41 G 4.0345 8.3696 103.8888 46.3336 0.0000 173.8673 42 Q 4.4256 7.7500 118.8758 54.7975 29.9205 175.6229 43 T 4.1785 8.3172 118.5683 64.0134 68.2666 174.6737 44 E 4.9062 7.6400 111.0710 55.1625 31.4233 178.1238 *49 S 4.2544 7.6494 119.0817 57.5970 64.2328 174.9706 50 E 4.0666 8.7233 122.8450 57.3266 29.6755 176.1072 51 Y 4.5239 7.7559 114.0308 58.4063 38.4691 174.5714 52 T 4.5206 7.4022 114.1098 59.9231 69.0840 173.8012 53 V 4.3100 8.1040 127.6215 59.7029 33.7719 174.6094 54 E 4.6603 8.2255 121.8218 54.7649 34.2229 174.1543 55 F 5.1830 8.8526 121.3461 56.5534 40.6805 175.1815 56 L 4.9849 8.8586 122.1943 52.5817 45.3093 175.6361 57 Q 4.6088 8.7091 123.0758 56.4457 29.7493 175.2646 58 K 4.9226 9.2851 124.7032 54.8134 37.4653 174.7557 59 L 5.1074 8.7764 121.1967 52.9903 44.7536 175.7798 60 K 4.8750 8.9548 125.0278 55.0449 33.9282 174.7354 61 L 5.1278 8.9926 128.9564 53.3241 43.8095 175.4976 62 E 5.2024 9.6611 123.8962 54.6069 32.6491 175.1815 63 I 4.7969 8.8312 124.9146 59.6146 41.2229 174.2602 64 V 4.7584 8.5150 127.1954 61.4576 33.0311 175.0291 65 V 4.6632 8.6415 119.8193 59.3531 36.9249 174.8352 66 E 4.3655 8.7593 120.8073 56.2337 30.2793 178.1907 67 D 4.4790 8.8982 121.1508 57.8745 40.6046 179.2977 68 A 4.0673 7.9930 119.4082 54.6935 18.7024 178.5920 69 Q 4.2545 8.0798 115.1105 56.4638 29.1291 177.8884 70 V 3.5559 7.5258 120.2828 66.4813 31.4934 177.7106 71 D 4.3942 8.0646 117.5484 57.4033 40.7214 178.8738 72 T 3.8683 7.8091 116.2409 66.4140 68.4470 176.7908 73 V 3.5607 7.8170 120.2121 65.9240 31.4976 177.9062 74 I 3.6466 7.7985 119.5489 64.7654 37.1287 177.9821 75 D 4.3413 8.2878 119.5871 57.4652 40.6336 179.2733 76 K 4.0125 7.9913 118.5848 59.2143 32.0988 179.4420 77 I 3.6131 7.9541 120.3901 64.3842 37.0763 178.5332 78 V 3.5112 7.9763 118.9105 66.1226 31.1358 177.9884 79 A 3.9896 7.7250 118.6239 54.8036 18.2257 179.1160 80 A 4.0764 7.8041 118.4459 54.7712 18.8769 179.0542 81 A 4.1374 8.1041 117.6492 52.3353 19.5245 177.9092 82 R 4.0935 7.5832 118.7579 56.6676 30.4792 176.2057 83 T 4.4514 9.7262 114.0936 61.0091 70.1713 175.0155 84 G 3.9823 8.9249 110.2180 45.1860 0.0000 172.7182 85 E 4.8042 7.8761 117.8005 53.5353 32.8172 175.5410 86 I 3.6363 8.1016 114.2983 62.7707 37.8407 176.4683 87 G 3.9990 8.8518 110.5988 45.5371 0.0000 174.0334 88 D 4.3151 7.6497 119.7103 56.0225 40.9029 176.4712 89 G 4.6376 6.8468 103.1728 44.1026 0.0000 171.5972 90 K 4.5203 7.7723 119.9358 54.5202 35.9998 174.6568 91 I 4.7376 7.7956 124.8929 59.3561 40.5107 174.7798 92 F 5.0189 9.3751 124.9805 55.6798 42.4057 173.9838 93 V 4.9977 8.6627 123.4337 61.2438 33.4039 174.6861 94 S 4.9003 8.9200 121.1485 56.0908 66.8464 171.4041 95 P 4.8041 0.0000 0.0000 62.5553 32.4351 175.3965 96 V 4.3759 8.3071 121.3083 61.5492 33.2837 175.3844 97 D 4.5863 8.9302 127.2926 56.8851 41.3518 176.8790 98 Q 4.8305 7.5708 114.8006 54.7851 32.9244 173.6437 99 T 4.6762 9.1700 117.8206 61.8318 72.0368 172.8490 100 I 4.8994 8.3501 126.7372 59.3050 39.9785 175.1063 101 R 4.1087 8.9722 128.5677 55.8508 30.3163 177.3555 102 I 3.7172 8.5573 128.1327 64.3870 37.5994 177.5234 103 R 4.0392 8.1644 119.6780 58.7684 30.0012 176.9222 104 T 4.3271 7.8212 104.7128 60.5576 70.3524 175.1349 105 G 3.8972 8.4683 109.9359 45.7670 0.0000 173.7120 106 E 4.2271 7.7266 119.5125 56.0682 30.1778 176.1747 107 K 5.1692 7.8560 118.8230 55.7016 37.1412 177.4647 108 N 3.9456 8.7384 119.1300 53.9548 38.0140 177.5862 109 A 3.9324 8.8114 127.1912 55.4945 18.0374 178.3054 110 D 4.5393 7.7876 113.1150 55.1804 41.3690 176.9743 111 A 4.6002 8.4896 121.6902 51.6985 19.3416 177.0716 112 I 4.1624 7.4438 123.2850 61.9353 38.0065 175.3648 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 8.16 4.73 0.00 1.99 2.18 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 2 K 8.84 4.85 0.00 1.62 1.72 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.60 7.81 3 K 9.74 4.65 0.00 1.84 1.69 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.43 7.81 4 I 9.14 4.86 1.87 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 1.22 0.40 0.90 0.00 0.00 5 E 9.36 5.12 0.00 2.24 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 2.28 2.28 0.00 6 A 9.19 4.90 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 7 I 8.62 4.83 1.85 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 1.35 1.45 0.93 0.00 0.00 8 I 8.92 5.18 1.76 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 1.32 0.80 0.84 0.00 0.00 9 R 8.34 4.21 0.00 1.61 1.84 0.00 3.19 0.00 0.00 3.57 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 10 P 0.00 4.30 0.00 2.23 2.14 0.00 3.67 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.18 0.00 11 F 8.18 4.47 0.00 3.14 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 12 K 7.45 3.95 0.00 1.62 1.61 0.00 1.72 0.00 0.00 1.22 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 1.23 7.81 13 L 7.65 3.85 0.00 1.75 1.66 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.08 4.32 0.00 2.80 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 15 E 8.06 3.97 0.00 2.01 1.95 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 2.40 2.37 0.00 16 V 7.71 3.53 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 0.95 0.00 0.00 0.93 0.00 0.00 17 K 8.23 3.84 0.00 1.83 2.06 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.49 7.81 18 I 7.83 3.70 1.87 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 1.45 0.68 0.91 0.00 0.00 19 A 8.16 4.02 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 20 L 8.08 3.91 0.00 1.85 1.86 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.87 3.67 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 1.03 0.00 0.00 0.99 0.00 0.00 22 N 8.03 4.40 0.00 2.83 2.87 0.00 0.00 7.06 7.08 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 23 A 7.64 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.67 3.82 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 0.00 0.00 0.00 25 I 7.60 4.05 1.96 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 1.29 0.89 0.90 0.00 0.00 26 V 9.36 4.13 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 0.72 0.00 0.00 0.93 0.00 0.00 27 G 7.78 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 28 M 7.77 4.95 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 29 T 9.03 4.74 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 30 V 8.41 4.95 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 0.82 0.00 0.00 0.93 0.00 0.00 31 S 8.87 4.84 0.00 3.78 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 32 E 8.69 4.67 0.00 1.98 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 2.25 2.34 0.00 33 V 8.76 4.67 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 0.70 0.00 0.00 0.98 0.00 0.00 34 R 8.14 5.16 0.00 1.47 1.83 0.00 3.23 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 35 G 8.96 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 0.00 0.00 0.00 0.00 36 F 8.29 5.31 0.00 2.91 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 37 G 8.59 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 0.00 0.00 0.00 0.00 38 R 8.99 3.93 0.00 1.83 2.05 0.00 3.21 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 39 Q 8.11 4.27 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.39 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 40 K 8.80 3.08 0.00 1.82 1.44 0.00 1.61 0.00 0.00 1.49 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.84 1.08 7.81 41 G 8.37 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 42 Q 7.75 4.43 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 43 T 8.32 4.18 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 44 E 7.64 4.91 0.00 1.97 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 1.99 1.70 0.00 *49 S 7.65 4.25 0.00 4.05 4.08 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 50 E 8.72 4.07 0.00 1.81 1.64 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 1.92 2.14 0.00 51 Y 7.76 4.52 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 52 T 7.40 4.52 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 1.24 0.00 0.00 53 V 8.10 4.31 1.61 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 0.63 0.00 0.00 -0.15 0.00 0.00 54 E 8.23 4.66 0.00 1.83 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 2.18 2.19 0.00 55 F 8.85 5.18 0.00 3.04 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 56 L 8.86 4.98 0.00 1.66 1.60 0.98 0.78 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 57 Q 8.71 4.61 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 58 K 9.29 4.92 0.00 1.67 1.78 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.58 7.81 59 L 8.78 5.11 0.00 1.54 1.53 0.97 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.95 4.88 0.00 1.83 1.69 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.43 7.81 61 L 8.99 5.13 0.00 1.72 1.55 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.66 5.20 0.00 1.85 1.83 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 2.23 2.26 0.00 63 I 8.83 4.80 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.02 0.91 0.00 0.00 64 V 8.52 4.76 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 0.85 0.00 0.00 0.93 0.00 0.00 65 V 8.64 4.66 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 0.67 0.00 0.00 0.93 0.00 0.00 66 E 8.76 4.37 0.00 2.16 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 2.33 2.28 0.00 67 D 8.90 4.48 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 68 A 7.99 4.07 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 69 Q 8.08 4.25 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.70 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 70 V 7.53 3.56 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 1.03 0.00 0.00 0.93 0.00 0.00 71 D 8.06 4.39 0.00 2.72 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 72 T 7.81 3.87 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 73 V 7.82 3.56 2.18 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 1.11 0.00 0.00 0.97 0.00 0.00 74 I 7.80 3.65 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.56 0.88 0.00 0.00 75 D 8.29 4.34 0.00 2.66 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 76 K 7.99 4.01 0.00 1.83 1.83 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.69 1.61 7.81 77 I 7.95 3.61 1.83 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 1.37 0.72 0.85 0.00 0.00 78 V 7.98 3.51 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 0.98 0.00 0.00 0.95 0.00 0.00 79 A 7.73 3.99 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 80 A 7.80 4.08 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 81 A 8.10 4.14 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.58 4.09 0.00 1.85 1.85 0.00 3.19 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 83 T 9.73 4.45 4.34 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 1.38 0.00 0.00 84 G 8.92 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 0.00 0.00 0.00 85 E 7.88 4.80 0.00 2.03 1.83 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 2.23 2.37 0.00 86 I 8.10 3.64 2.04 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 1.36 0.54 0.91 0.00 0.00 87 G 8.85 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 0.00 0.00 0.00 0.00 88 D 7.65 4.32 0.00 2.68 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 89 G 6.85 4.64 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 0.00 0.00 0.00 90 K 7.77 4.52 0.00 1.64 1.13 0.00 1.73 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.79 1.24 7.81 91 I 7.80 4.74 1.72 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 1.21 0.64 0.88 0.00 0.00 92 F 9.38 5.02 0.00 2.91 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 93 V 8.66 5.00 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 0.94 0.00 0.00 94 S 8.92 4.90 0.00 3.89 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 95 P 0.00 4.80 0.00 2.10 2.09 0.00 3.70 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 1.96 0.00 96 V 8.31 4.38 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 0.83 0.00 0.00 0.93 0.00 0.00 97 D 8.93 4.59 0.00 2.70 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 98 Q 7.57 4.83 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 99 T 9.17 4.68 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 1.26 0.00 0.00 100 I 8.35 4.90 1.87 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 1.23 0.48 0.95 0.00 0.00 101 R 8.97 4.11 0.00 1.87 1.81 0.00 3.28 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 102 I 8.56 3.72 1.87 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 1.30 0.65 0.91 0.00 0.00 103 R 8.16 4.04 0.00 1.77 1.96 0.00 3.19 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 104 T 7.82 4.33 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 0.00 105 G 8.47 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 0.00 106 E 7.73 4.23 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 107 K 7.86 5.17 0.00 1.75 1.63 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.42 7.81 108 N 8.74 3.95 0.00 2.85 2.21 0.00 0.00 6.98 7.08 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 0.00 109 A 8.81 3.93 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 0.00 110 D 7.79 4.54 0.00 2.75 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 0.00 111 A 8.49 4.60 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 0.00 112 I 7.44 4.16 1.87 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 1.27 0.72 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.