NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.3852 0.0000 0.0000 62.8082 34.0076 178.2659 5 K 3.8426 7.8410 119.8581 58.0356 32.4632 175.7932 6 E 4.0220 8.3782 118.6528 59.2703 29.8408 178.5592 7 L 3.9357 7.8568 119.7530 58.2847 42.3490 178.5431 8 Q 4.0399 7.9779 119.0147 59.3716 28.9214 178.0087 9 D 4.6634 8.5575 122.3231 58.0564 40.8849 179.4505 10 K 4.0077 8.1124 124.0719 59.7751 31.5737 180.6659 11 F 4.3707 8.2117 121.7508 61.0483 39.3073 177.3283 12 W 3.7070 7.7500 118.4627 59.3298 28.8009 178.3799 13 K 3.9100 8.3595 119.4684 59.4592 31.6842 178.6858 14 A 4.0444 7.9333 120.9478 55.1963 18.4100 179.3063 15 L 3.4032 7.6478 119.2250 57.9907 41.7406 179.1550 16 K 4.0125 8.2145 119.3928 59.1968 32.1958 178.4792 17 S 4.4059 8.0279 113.6250 60.6867 63.7137 175.4004 18 D 4.5948 8.8895 121.8990 53.8339 41.3172 179.2652 19 R 4.2906 8.4777 122.2761 57.6173 29.9796 176.7302 20 T 4.5533 8.4055 114.9809 63.6200 69.3844 173.4667 21 V 4.7956 8.2792 128.4742 62.3896 35.7200 173.8982 *23 L 4.3144 8.5189 116.9122 54.7860 43.1633 176.2093 24 G 4.3054 8.6172 107.9046 44.9963 0.0000 172.0674 *33 A 4.6832 8.4751 122.9807 52.0443 19.3622 176.1335 34 R 4.5975 8.4496 116.4693 55.2227 32.5917 173.2346 35 P 4.9462 0.0000 0.0000 62.0298 33.1352 175.7367 *37 T 4.1581 8.2437 115.2698 63.2777 68.7934 174.0125 38 A 3.8923 8.9442 129.2488 51.7329 19.5854 176.6259 39 Q 4.7829 8.9692 118.9411 54.1391 33.2073 174.3948 40 I 5.0598 8.3977 115.8477 59.0493 40.8245 174.3123 41 E 4.1452 9.0671 125.4310 56.3417 30.3742 177.1278 42 G 3.8796 8.6361 113.9141 44.8717 0.0000 173.1192 43 D 4.3324 8.5159 117.5069 56.8695 40.9161 176.9219 44 S 4.0030 7.4756 110.6663 56.7809 65.0193 173.3913 45 G 3.4117 5.8036 109.9756 44.8477 0.0000 174.1050 46 G 3.8690 7.7153 108.5189 43.4020 0.0000 171.6522 47 P 4.4137 0.0000 0.0000 62.7322 32.4816 175.8123 48 I 4.2861 8.1984 122.1827 59.9109 38.7690 174.8773 49 W 5.1963 9.1533 127.4657 55.1053 31.8574 175.5490 50 F 5.3183 9.2841 121.6609 55.7416 41.9182 174.2260 51 F 4.9159 9.3330 123.5384 58.0713 39.8552 175.2671 52 T 4.7111 9.5292 118.7224 61.4164 70.9405 172.0652 53 S 6.0177 8.6337 112.6683 55.6517 66.0656 175.5347 54 K 3.9999 9.0665 120.8659 59.7543 31.9127 177.8029 55 D 4.6135 8.0461 115.1213 53.6828 39.5853 175.9710 56 N 4.4035 8.1182 119.9663 53.5935 39.4632 175.4077 57 A 3.9045 8.7563 127.8172 55.4338 18.7738 179.7508 58 L 3.7755 7.7056 114.3912 58.1275 41.9700 179.0427 59 I 3.8260 7.6046 118.8542 64.5782 37.0327 180.0975 60 A 4.4397 7.1791 120.6104 52.2277 17.6513 178.6484 *62 L 4.3926 8.2293 121.1402 55.5062 44.8814 179.9441 63 G 3.8560 7.3630 105.1618 46.3518 0.0000 175.2975 64 Q 3.9997 9.2447 121.5230 57.6635 28.5954 174.8017 65 G 3.3965 6.7184 105.7451 44.1013 0.0000 172.6000 66 R 4.7147 8.2776 125.3022 54.1974 33.5775 175.6517 67 R 4.6543 8.4063 120.0580 56.3729 30.9722 176.6276 68 V 4.7258 8.7217 116.1938 59.5550 36.4437 174.4526 69 I 4.9122 8.0148 123.4404 59.5196 40.2095 174.7580 70 G 4.5162 9.5312 114.2406 44.2865 0.0000 171.7527 71 A 5.3248 8.7355 126.2659 50.1753 20.7792 175.5320 72 F 5.1331 9.5174 125.4669 56.6455 42.8683 174.1031 73 S 4.6196 7.2121 118.3073 55.9277 66.0501 173.8216 74 S 4.2075 8.5071 117.3469 58.1618 63.7566 175.3568 75 K 3.7775 9.3275 123.0671 59.7262 31.9135 178.4406 76 G 3.6954 7.9626 103.4523 46.0269 0.0000 172.7759 77 H 3.6222 7.7899 115.7063 56.7399 26.6945 175.2130 78 D 4.9937 7.7901 118.1310 53.5847 41.0252 175.3722 79 L 5.0784 7.8506 122.0411 53.9811 46.1021 174.1208 80 F 5.4093 9.8790 124.4656 55.7874 42.7777 174.0944 81 A 5.3459 9.9148 123.4655 50.5766 23.1250 174.8580 82 S 5.1135 9.4840 117.4739 56.8821 64.5678 172.7406 83 I 4.7697 8.9929 129.5242 59.5479 39.3170 174.8665 84 S 5.0627 8.3670 122.1629 56.9226 65.7952 174.0282 85 G 4.3211 8.0345 107.4756 46.6802 0.0000 170.7859 86 S 5.2842 8.5462 115.5597 56.3870 64.8289 173.6835 87 L 5.3379 8.9590 129.9958 53.3684 44.2658 175.2002 88 R 4.9955 8.6177 121.1640 54.6452 33.4136 173.6845 89 E 4.5010 8.7094 121.4005 56.0018 30.3294 176.9767 90 D 4.8589 8.7730 125.1417 53.9715 42.2870 176.7348 91 T 4.2378 7.5854 119.2851 62.2935 67.7164 172.8664 92 D 4.7466 7.8177 122.2476 51.9931 43.1321 173.8489 93 P 4.1765 0.0000 0.0000 65.7069 31.1697 178.1568 94 A 3.9198 8.1653 119.4593 55.3267 18.2474 179.9668 95 V 3.3003 7.5113 115.9776 65.9373 31.7954 178.0075 96 V 3.8091 7.6851 117.9910 66.3250 31.0139 177.8154 97 D 4.2944 8.0054 117.5050 57.3936 40.7745 178.6344 98 R 4.0617 7.3684 117.1058 59.3603 30.2212 178.9612 99 L 4.1493 8.1750 117.1309 55.6248 42.0861 177.6240 100 W 4.0405 7.4882 128.8864 57.5869 31.3187 174.8768 101 N 4.5554 6.9468 120.7483 50.2840 40.5519 173.5864 102 P 3.9523 0.0000 0.0000 65.4639 30.8665 178.6826 103 Y 4.0119 6.9560 114.5351 60.8437 38.3029 177.5154 104 V 2.0000 7.0063 118.7738 65.2537 31.5286 177.7319 105 A 3.5200 6.6755 120.1038 54.9833 17.8750 179.4090 106 A 3.9676 7.0323 118.1612 54.5220 18.4560 179.0473 107 W 4.6778 7.2980 115.5674 56.7740 29.6117 175.7933 108 Y 4.7941 7.7489 119.2912 56.4766 39.6254 176.6917 109 E 4.0811 9.3210 122.2999 58.5839 29.9381 174.5948 110 G 4.0642 8.6222 105.4100 44.7166 0.0000 175.8959 111 G 3.9641 8.1453 108.4028 45.5733 0.0000 175.8427 112 K 3.2936 7.9910 117.9947 59.0729 32.1115 177.3645 113 D 4.5498 7.6436 115.7114 53.7865 41.3668 175.7479 114 D 4.4084 7.7932 121.0981 53.9632 41.3516 175.6360 115 P 4.3642 0.0000 0.0000 65.3646 31.7992 177.0976 116 K 4.4055 8.7685 118.1018 56.4885 32.0360 175.4855 117 L 5.1169 7.7182 121.8043 54.2976 43.0013 175.8118 118 A 4.9144 9.0457 125.8723 50.2654 23.3420 174.4500 119 L 5.1458 9.0826 122.2005 53.2572 45.2575 175.1739 120 L 5.4385 9.1694 126.3198 52.9567 44.7906 175.4165 121 R 4.7379 9.0527 119.5705 54.1712 32.3360 174.2547 122 L 4.8680 9.0380 125.2346 53.6722 44.3313 174.8769 123 D 5.0143 9.1933 127.9659 52.8502 41.4803 175.1455 124 A 4.6550 8.4589 125.5073 51.8877 19.4156 176.0177 125 D 4.8411 8.9519 122.4316 55.9028 42.8404 176.2449 126 H 5.2422 7.5018 109.4141 53.9530 32.3256 171.8200 127 A 4.9816 8.2219 118.7834 50.7427 22.2397 175.2525 128 Q 4.1965 8.7541 121.4433 54.0695 31.8121 174.2390 129 I 4.7915 7.8291 126.7343 59.3222 39.7881 174.8836 130 W 4.7023 9.6141 128.3158 54.7770 30.7181 175.8515 131 L 4.5319 8.6938 125.1595 54.8744 42.3518 177.0581 132 N 4.9289 9.3034 120.6047 51.7338 40.4470 174.0926 133 G 3.9039 8.5873 113.7516 44.4451 0.0000 171.5583 134 S 4.4336 8.2967 114.8885 58.0450 64.0115 173.8729 135 S 4.5160 8.1132 115.6169 56.8113 65.0810 173.7186 136 L 4.0996 8.5114 128.3321 54.7421 41.8272 177.0950 137 L 4.3622 8.2671 123.4363 53.1243 42.9367 176.3128 138 A 4.0473 8.3749 122.9853 52.4215 18.7212 177.6359 139 G 3.7843 8.5595 111.2552 45.0818 0.0000 173.0510 140 I 4.4246 8.1708 125.3529 59.2306 39.2583 175.3869 141 K 4.2893 8.5163 125.1695 55.7151 32.8815 176.5699 142 V 4.4019 8.0074 122.0154 60.6486 34.2895 174.9795 143 L 4.1502 8.5888 127.2991 54.7742 42.1727 176.2458 144 L 4.6852 8.3880 122.7056 53.0223 43.6986 176.8402 145 G 3.7371 8.5167 109.9849 45.7166 0.0000 173.0531 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 4 P 0.00 4.39 0.00 2.24 2.31 0.00 3.67 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 1.98 1.96 0.00 5 K 7.84 3.84 0.00 1.92 1.87 0.00 1.92 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.57 7.81 6 E 8.38 4.02 0.00 2.08 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 2.43 2.40 0.00 7 L 7.86 3.94 0.00 1.76 1.84 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.98 4.04 0.00 2.35 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.82 2.59 0.00 9 D 8.56 4.66 0.00 3.00 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 10 K 8.11 4.01 0.00 1.79 1.83 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.33 7.81 11 F 8.21 4.37 0.00 3.01 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 W 7.75 3.71 0.00 3.52 3.20 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 13 K 8.36 3.91 0.00 1.94 2.00 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.49 7.81 14 A 7.93 4.04 1.59 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 0.00 0.00 15 L 7.65 3.40 0.00 0.51 1.24 0.43 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.21 4.01 0.00 1.95 1.96 0.00 1.94 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.47 7.81 17 S 8.03 4.41 0.00 4.12 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 18 D 8.89 4.59 0.00 3.03 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 19 R 8.48 4.29 0.00 2.18 2.30 0.00 3.37 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 20 T 8.41 4.55 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 1.27 0.00 0.00 21 V 8.28 4.80 2.40 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 1.20 0.00 0.00 1.31 0.00 0.00 *23 L 8.52 4.31 0.00 1.48 1.47 0.09 0.68 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 24 G 8.62 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 0.00 0.00 0.00 0.00 *33 A 8.48 4.68 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 34 R 8.45 4.60 0.00 1.75 1.83 0.00 3.20 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.63 0.00 35 P 0.00 4.95 0.00 2.09 2.13 0.00 3.12 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 *37 T 8.24 4.16 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 1.44 0.00 0.00 38 A 8.94 3.89 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 39 Q 8.97 4.78 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 40 I 8.40 5.06 1.80 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 1.27 0.67 1.04 0.00 0.00 41 E 9.07 4.15 0.00 2.04 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 2.26 2.29 0.00 42 G 8.64 3.88 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 0.00 43 D 8.52 4.33 0.00 2.63 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 44 S 7.48 4.00 0.00 3.68 3.53 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 45 G 5.80 3.41 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 0.00 0.00 0.00 0.00 46 G 7.72 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 47 P 0.00 4.41 0.00 1.08 1.88 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 48 I 8.20 4.29 1.91 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 1.47 1.00 0.54 0.00 0.00 49 W 9.15 5.20 0.00 3.20 2.92 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 50 F 9.28 5.32 0.00 2.99 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 51 F 9.33 4.92 0.00 3.54 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 52 T 9.53 4.71 4.38 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 1.40 0.00 0.00 53 S 8.63 6.02 0.00 4.09 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 9.07 4.00 0.00 1.83 1.98 0.00 1.81 0.00 0.00 1.82 0.00 0.00 3.26 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.65 1.60 7.81 55 D 8.05 4.61 0.00 2.79 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 56 N 8.12 4.40 0.00 2.89 2.81 0.00 0.00 7.03 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.76 3.90 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 58 L 7.71 3.78 0.00 1.59 1.75 0.84 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.60 3.83 1.90 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 1.28 0.89 0.98 0.00 0.00 60 A 7.18 4.44 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 *62 L 8.23 4.39 0.00 1.76 1.78 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.36 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 64 Q 9.24 4.00 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 65 G 6.72 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 66 R 8.28 4.71 0.00 1.86 1.82 0.00 3.24 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.45 0.00 67 R 8.41 4.65 0.00 1.69 1.86 0.00 3.31 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 68 V 8.72 4.73 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 0.92 0.00 0.00 0.92 0.00 0.00 69 I 8.01 4.91 1.87 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 1.16 0.97 0.93 0.00 0.00 70 G 9.53 4.52 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 0.00 0.00 0.00 71 A 8.74 5.32 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 72 F 9.52 5.13 0.00 3.26 3.06 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 73 S 7.21 4.62 0.00 2.81 3.47 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 74 S 8.51 4.21 0.00 3.83 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 9.33 3.78 0.00 1.83 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.36 7.81 76 G 7.96 3.70 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 0.00 0.00 0.00 77 H 7.79 3.62 0.00 3.33 3.51 0.00 5.67 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 D 7.79 4.99 0.00 2.75 2.92 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 79 L 7.85 5.08 0.00 1.79 1.55 1.07 1.04 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 80 F 9.88 5.41 0.00 3.01 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 81 A 9.91 5.35 1.23 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 0.00 0.00 82 S 9.48 5.11 0.00 4.27 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 8.99 4.77 1.93 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 1.09 0.63 0.94 0.00 0.00 84 S 8.37 5.06 0.00 3.77 3.88 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 85 G 8.03 4.32 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 0.00 86 S 8.55 5.28 0.00 3.85 3.70 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 87 L 8.96 5.34 0.00 1.74 1.46 1.01 0.42 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 88 R 8.62 5.00 0.00 1.91 1.96 0.00 2.98 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 89 E 8.71 4.50 0.00 2.05 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 0.00 2.35 2.51 0.00 90 D 8.77 4.86 0.00 2.69 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 91 T 7.59 4.24 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 1.24 0.00 0.00 92 D 7.82 4.75 0.00 2.92 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.18 0.00 2.14 2.03 0.00 3.65 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 94 A 8.17 3.92 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 95 V 7.51 3.30 1.63 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 -0.47 0.00 0.00 0.75 0.00 0.00 96 V 7.69 3.81 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.00 0.00 0.00 97 D 8.01 4.29 0.00 2.77 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 98 R 7.37 4.06 0.00 1.80 2.09 0.00 3.27 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 99 L 8.18 4.15 0.00 1.78 1.98 0.15 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 100 W 7.49 4.04 0.00 3.60 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 0.00 101 N 6.95 4.56 0.00 2.54 2.63 0.00 0.00 6.21 7.76 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 0.00 102 P 0.00 3.95 0.00 1.68 1.95 0.00 3.01 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.99 0.00 103 Y 6.96 4.01 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.01 2.00 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 0.00 0.00 -0.37 0.00 0.00 0.44 0.00 0.00 105 A 6.68 3.52 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 0.00 106 A 7.03 3.97 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 0.00 107 W 7.30 4.68 0.00 2.68 2.56 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 0.00 108 Y 7.75 4.79 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 0.00 109 E 9.32 4.08 0.00 1.98 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 2.23 1.89 0.00 110 G 8.62 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 0.00 0.00 0.00 111 G 8.15 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 0.00 112 K 7.99 3.29 0.00 1.26 1.40 0.00 1.21 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.30 0.21 7.81 113 D 7.64 4.55 0.00 2.59 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 7.79 4.41 0.00 2.83 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 0.00 115 P 0.00 4.36 0.00 2.25 2.19 0.00 3.87 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 2.03 2.02 0.00 116 K 8.77 4.41 0.00 2.10 1.99 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.60 7.81 117 L 7.72 5.12 0.00 1.30 1.62 0.47 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 118 A 9.05 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 119 L 9.08 5.15 0.00 1.63 1.49 0.15 0.47 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 0.00 120 L 9.17 5.44 0.00 1.85 1.64 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 121 R 9.05 4.74 0.00 0.67 1.58 0.00 2.64 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.43 0.00 122 L 9.04 4.87 0.00 1.99 1.93 1.01 1.53 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 0.00 123 D 9.19 5.01 0.00 2.56 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 0.00 124 A 8.46 4.66 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 0.00 125 D 8.95 4.84 0.00 2.84 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 0.00 126 H 7.50 5.24 0.00 3.07 3.30 0.00 5.27 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 0.00 127 A 8.22 4.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 8.75 4.20 0.00 1.86 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 1.16 1.53 0.00 129 I 7.83 4.79 1.71 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.43 0.95 0.00 0.00 130 W 9.61 4.70 0.00 3.32 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 0.00 131 L 8.69 4.53 0.00 1.62 1.68 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 132 N 9.30 4.93 0.00 3.13 3.02 0.00 0.00 7.25 8.96 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 0.00 133 G 8.59 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 0.00 134 S 8.30 4.43 0.00 4.01 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 0.00 135 S 8.11 4.52 0.00 3.82 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 0.00 136 L 8.51 4.10 0.00 1.68 1.61 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.27 4.36 0.00 1.63 1.61 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.37 4.05 1.24 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 0.00 0.00 139 G 8.56 3.78 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 0.00 0.00 0.00 140 I 8.17 4.42 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 1.41 0.70 0.91 0.00 0.00 141 K 8.52 4.29 0.00 1.74 1.74 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.42 7.81 142 V 8.01 4.40 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 0.84 0.00 0.00 0.93 0.00 0.00 143 L 8.59 4.15 0.00 1.67 1.59 0.92 0.99 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 0.00 144 L 8.39 4.69 0.00 1.62 1.57 0.92 0.85 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 0.00 145 G 8.52 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 * Residues marked with a * may have inaccurate shift predictions.