NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0939 8.0244 121.4510 60.5610 38.5462 174.8534 4 K 3.8447 8.4656 125.0227 55.4018 32.4979 172.9919 5 E 4.1998 9.4886 129.0294 55.5433 31.2274 175.6381 6 L 4.3844 8.3712 126.1296 55.1389 42.6598 176.7091 7 H 4.5662 9.0160 120.1892 55.9339 30.2060 174.4972 8 V 4.7699 8.3963 121.7476 61.3295 33.0050 174.7848 9 K 4.6179 8.9273 127.7251 54.8963 34.7636 175.1643 10 T 4.9129 8.4722 121.5113 61.9454 70.3383 174.2920 11 V 4.5567 8.3919 118.6577 59.4860 36.3733 174.9776 12 K 4.7324 8.6024 121.5445 54.3738 34.0534 176.6917 13 R 4.5295 8.6122 120.5936 58.0533 30.3069 177.8538 14 G 3.9627 9.6036 110.1468 45.5796 0.0000 173.2201 15 E 4.0871 7.9699 121.0858 56.3126 30.9136 175.3214 16 N 5.3340 8.4937 121.1701 52.2373 40.5427 174.8818 17 V 4.5064 8.6246 120.5285 60.4919 35.4136 173.9700 18 T 4.9459 8.3113 117.9350 62.0765 71.8718 172.9959 19 M 4.7195 8.9335 125.5932 53.5916 34.7781 174.7883 20 E 5.2345 9.0058 122.3911 55.4106 32.0907 176.2785 21 C 4.8969 9.5529 122.7775 55.4167 42.6768 172.9823 22 S 4.9274 8.8176 121.3908 57.7644 63.1824 174.5101 23 M 4.0980 9.0201 127.5108 58.1645 32.2078 177.8927 24 S 4.3444 7.7754 112.0307 59.8022 63.1336 174.6908 25 K 4.5013 7.6646 120.3658 55.9840 32.1211 175.7385 26 V 4.4876 7.5965 118.5603 61.5527 33.8641 174.8754 27 T 4.1366 9.4700 123.8026 64.7877 69.6082 174.7107 28 N 4.6969 8.7159 124.9027 51.2046 39.4867 174.6193 29 K 3.3773 8.3567 126.6385 59.3775 32.1879 179.3091 30 D 4.5483 8.2649 117.7013 56.7465 40.9998 176.6680 31 N 4.9543 8.2004 116.0599 52.7684 39.9674 173.9562 32 L 5.1153 7.3594 120.9347 53.6437 44.6938 175.0661 33 A 5.2752 8.3393 122.7206 51.3246 23.3827 175.4077 34 W 5.5264 9.2208 120.7491 56.2133 31.3722 175.2617 35 Y 5.2003 10.0506 120.7191 56.2815 41.3456 174.5808 36 R 4.2820 9.0917 122.3121 54.2889 33.2680 173.7847 37 Q 4.6360 8.7656 128.5241 54.3680 31.3986 174.9575 38 S 4.6794 8.3710 122.6736 57.4189 64.8364 173.7876 39 F 4.1985 8.7070 124.4201 59.5494 39.6354 175.5833 40 G 3.7846 8.1106 114.5164 45.6109 0.0000 172.8481 41 K 4.6769 7.3997 117.5738 53.5696 35.3041 176.3968 42 V 3.8122 8.0360 119.8659 61.0004 31.9837 174.4194 43 P 4.7670 0.0000 0.0000 62.9860 32.5143 175.4104 44 Q 4.6913 9.1115 122.1281 54.2832 32.5564 173.4855 45 Y 3.3716 9.1549 126.7450 58.7801 38.8129 174.8250 46 F 4.7239 7.8677 126.7749 59.2345 42.4234 174.9146 47 V 4.3628 6.8257 114.8979 60.4407 34.0533 172.1874 48 R 5.4608 8.6239 119.3617 54.1942 32.8782 174.3310 49 Y 4.9578 8.7775 121.9148 58.8120 39.7076 175.6662 50 Y 4.5529 8.1538 127.2533 56.5573 41.7841 174.1351 51 S 4.0556 8.5520 124.2903 58.8678 63.1922 174.2114 52 S 4.5333 8.0745 118.6662 57.8404 64.6043 176.5152 53 N 4.4351 9.1881 118.2000 56.6357 38.2049 177.0344 54 S 4.1629 7.9703 110.7427 59.2686 63.6930 175.2527 55 G 4.0669 10.4300 108.9884 44.5687 0.0000 171.6844 56 Y 5.4135 6.9099 114.8574 56.0889 40.9293 174.3705 57 K 4.2187 8.9013 122.2239 54.8815 35.0620 175.5963 58 F 4.4289 8.9228 126.2055 57.0250 40.0445 175.2045 59 A 4.1523 8.4468 122.9344 52.3235 19.2310 177.0585 60 E 4.0199 9.0167 122.3656 58.1490 30.0176 177.0089 61 G 4.0248 8.9724 114.0292 45.3984 0.0000 173.1398 62 F 4.3156 8.0501 121.6379 58.8794 39.5378 175.4444 63 K 4.1416 7.6057 128.3108 53.4610 31.6860 174.7310 64 D 4.0519 6.3630 118.1812 53.5229 42.3140 175.4413 65 S 4.4025 8.3447 122.2588 59.3260 63.4954 175.8603 66 R 4.0903 8.2261 120.8233 58.7883 30.7878 176.9480 67 F 5.0490 8.0354 117.3282 57.2459 40.2867 175.2399 68 S 5.0452 8.8425 115.6230 58.0700 66.8600 172.3458 69 M 4.8183 7.9443 117.8986 53.6643 35.8585 175.8258 70 T 4.4896 8.6671 118.2094 62.1523 70.6844 173.7344 71 V 5.2258 8.3721 119.8463 59.7306 34.2898 175.2523 72 N 4.8705 8.7678 122.7950 52.4932 39.3003 174.7276 73 D 4.2956 8.9379 115.9243 57.5098 41.3721 177.2036 74 Q 4.4009 8.8836 117.8597 56.4383 30.0204 175.4147 75 K 4.9504 7.8791 116.2696 54.0188 35.7124 175.8881 76 F 5.3382 8.9252 124.0421 56.9151 38.2788 173.3731 77 D 5.3229 8.7077 121.4515 52.5114 44.2460 176.3869 78 L 4.4988 8.4048 124.5511 53.5350 43.9971 174.8463 79 N 5.3341 9.0606 123.5299 51.5442 41.7775 173.7323 80 I 4.6364 8.5007 122.2232 59.4228 41.1631 174.3112 81 I 4.4858 8.1400 126.8634 59.6831 38.7749 175.9332 82 G 3.6640 8.3349 114.5814 44.7673 0.0000 173.6151 83 A 4.2683 8.3357 122.1732 52.9881 19.7317 177.2493 84 R 4.8774 9.2721 120.3829 54.0084 33.8468 175.5481 85 E 2.7350 8.6266 124.2397 59.2948 29.4623 179.0548 86 D 4.4703 8.0533 116.1857 57.2251 40.9964 177.6698 87 D 4.7513 8.5237 118.9082 56.6307 41.1101 177.3965 88 G 4.0350 8.4066 108.2047 44.9408 0.0000 174.3322 89 G 3.8185 7.1241 108.5404 45.5279 0.0000 170.3247 90 E 5.1003 7.9107 119.4815 54.6083 33.1048 174.8943 91 Y 4.8136 9.2470 121.1041 56.0830 41.4601 174.5598 92 F 5.5418 9.6048 122.9159 55.9124 42.4941 173.1628 93 C 4.9068 9.2693 124.9972 54.9147 39.4357 172.7372 94 G 4.4414 9.4665 112.7933 44.8456 0.0000 170.3433 95 E 5.1617 8.5371 120.6278 54.0515 32.5994 174.7741 96 V 4.4102 8.2603 127.1715 61.9538 32.7798 174.7448 97 E 4.5239 9.0475 129.1149 55.0178 33.0138 176.5072 98 G 3.9076 9.0449 117.7712 46.8784 0.0000 173.7967 99 I 4.3982 8.9290 112.5839 60.0062 38.4136 174.6810 100 I 4.3450 7.8293 122.8203 59.8335 39.3343 174.3228 101 I 4.2646 8.1473 127.9307 59.7397 39.0018 174.4031 102 K 4.2789 8.3912 131.4295 54.6720 33.9060 174.8363 103 F 5.0945 8.6438 127.2832 57.2651 39.3046 175.7789 104 T 4.4744 8.7070 113.9708 62.0143 69.7554 174.4651 105 S 4.6611 7.8310 115.5362 58.0433 65.9348 173.2600 106 G 4.7547 8.1829 109.9372 46.1973 0.0000 171.8215 107 T 5.2648 9.2854 116.7975 61.5522 72.6468 173.5788 108 R 4.7333 9.1918 127.1561 55.3027 31.4896 174.6101 109 L 5.0667 9.0615 130.6988 53.9982 43.6071 175.3598 110 Q 4.9822 9.0465 123.4842 54.6367 32.8381 175.3360 111 F 4.8646 8.8820 116.8718 56.9954 39.3333 175.8960 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 3 I 8.02 4.09 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 1.29 1.06 0.90 0.00 0.00 4 K 8.47 3.84 0.00 1.81 1.75 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.63 7.81 5 E 9.49 4.20 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 2.33 2.43 0.00 6 L 8.37 4.38 0.00 1.64 1.67 1.08 1.38 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 7 H 9.02 4.57 0.00 3.16 3.24 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.40 4.77 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 0.82 0.00 0.00 0.97 0.00 0.00 9 K 8.93 4.62 0.00 1.67 1.59 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.38 7.81 10 T 8.47 4.91 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 1.15 0.00 0.00 11 V 8.39 4.56 1.74 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 0.77 0.00 0.00 0.03 0.00 0.00 12 K 8.60 4.73 0.00 1.79 1.73 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.53 7.81 13 R 8.61 4.53 0.00 1.86 1.92 0.00 3.27 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 14 G 9.60 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 15 E 7.97 4.09 0.00 2.08 1.89 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 2.23 2.24 0.00 16 N 8.49 5.33 0.00 2.58 2.63 0.00 0.00 6.71 7.68 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 17 V 8.62 4.51 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 0.61 0.00 0.00 0.77 0.00 0.00 18 T 8.31 4.95 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 1.20 0.00 0.00 19 M 8.93 4.72 0.00 1.77 1.38 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 20 E 9.01 5.23 0.00 1.96 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 2.29 2.33 0.00 21 C 9.55 4.90 0.00 2.89 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 22 S 8.82 4.93 0.00 3.95 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 23 M 9.02 4.10 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.75 0.00 24 S 7.78 4.34 0.00 3.97 3.99 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 25 K 7.66 4.50 0.00 1.84 1.81 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.50 7.81 26 V 7.60 4.49 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 0.62 0.00 0.00 0.88 0.00 0.00 27 T 9.47 4.14 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 1.16 0.00 0.00 28 N 8.72 4.70 0.00 2.56 2.60 0.00 0.00 7.29 6.98 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 29 K 8.36 3.38 0.00 1.21 0.74 0.00 1.48 0.00 0.00 1.39 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.09 1.18 7.81 30 D 8.26 4.55 0.00 2.79 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 31 N 8.20 4.95 0.00 2.68 2.83 0.00 0.00 6.32 6.50 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 32 L 7.36 5.12 0.00 1.41 1.29 0.68 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.34 5.28 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 0.00 0.00 0.00 0.00 0.00 0.00 34 W 9.22 5.53 0.00 3.51 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 35 Y 10.05 5.20 0.00 3.29 3.14 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 36 R 9.09 4.28 0.00 0.68 1.06 0.00 2.21 0.00 0.00 2.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.50 0.00 37 Q 8.77 4.64 0.00 2.11 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.68 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 38 S 8.37 4.68 0.00 3.78 3.76 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 39 F 8.71 4.20 0.00 2.96 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 40 G 8.11 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 41 K 7.40 4.68 0.00 1.84 1.69 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.47 7.81 42 V 8.04 3.81 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 0.76 0.00 0.00 0.96 0.00 0.00 43 P 0.00 4.77 0.00 2.18 2.29 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.23 0.00 44 Q 9.11 4.69 0.00 2.13 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 45 Y 9.15 3.37 0.00 2.85 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 46 F 7.87 4.72 0.00 2.94 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 47 V 6.83 4.36 0.74 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 0.33 0.00 0.00 0.20 0.00 0.00 48 R 8.62 5.46 0.00 2.26 2.46 0.00 2.99 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 49 Y 8.78 4.96 0.00 2.65 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 50 Y 8.15 4.55 0.00 3.03 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 51 S 8.55 4.06 0.00 3.75 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 52 S 8.07 4.53 0.00 4.00 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 53 N 9.19 4.44 0.00 2.73 2.95 0.00 0.00 6.91 7.57 0.00 0.00 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 S 7.97 4.16 0.00 3.44 3.80 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 0.00 0.00 0.00 55 G 10.43 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 56 Y 6.91 5.41 0.00 2.93 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 57 K 8.90 4.22 0.00 1.03 1.38 0.00 0.61 0.00 0.00 1.02 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.14 1.06 7.81 58 F 8.92 4.43 0.00 3.00 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 59 A 8.45 4.15 1.28 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 0.00 0.00 0.00 60 E 9.02 4.02 0.00 1.99 1.97 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 0.00 2.35 2.37 0.00 61 G 8.97 4.02 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 0.00 0.00 0.00 62 F 8.05 4.32 0.00 2.90 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 63 K 7.61 4.14 0.00 1.58 1.54 0.00 1.77 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.21 1.48 7.81 64 D 6.36 4.05 0.00 2.04 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 65 S 8.34 4.40 0.00 3.83 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 66 R 8.23 4.09 0.00 1.92 2.10 0.00 3.23 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 67 F 8.04 5.05 0.00 2.74 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 68 S 8.84 5.05 0.00 4.00 4.04 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 69 M 7.94 4.82 0.00 1.09 0.57 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 1.58 1.96 0.00 70 T 8.67 4.49 4.21 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 1.23 0.00 0.00 71 V 8.37 5.23 2.36 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 0.78 0.00 0.00 1.24 0.00 0.00 72 N 8.77 4.87 0.00 3.00 2.96 0.00 0.00 6.59 7.82 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 73 D 8.94 4.30 0.00 2.73 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 74 Q 8.88 4.40 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 75 K 7.88 4.95 0.00 1.58 1.75 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.40 7.81 76 F 8.93 5.34 0.00 3.01 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 77 D 8.71 5.32 0.00 2.63 2.52 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 78 L 8.40 4.50 0.00 0.66 0.73 0.86 -0.01 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 79 N 9.06 5.33 0.00 2.51 2.55 0.00 0.00 6.43 7.51 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 80 I 8.50 4.64 1.50 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.23 0.45 0.00 0.00 81 I 8.14 4.49 1.80 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 1.08 0.79 0.90 0.00 0.00 82 G 8.33 3.66 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 0.00 0.00 0.00 83 A 8.34 4.27 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 84 R 9.27 4.88 0.00 1.81 1.94 0.00 3.14 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 85 E 8.63 2.73 0.00 1.68 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 2.20 1.96 0.00 86 D 8.05 4.47 0.00 2.73 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 87 D 8.52 4.75 0.00 3.06 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 88 G 8.41 4.04 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 0.00 89 G 7.12 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 90 E 7.91 5.10 0.00 1.53 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 2.22 2.24 0.00 91 Y 9.25 4.81 0.00 2.82 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 92 F 9.60 5.54 0.00 2.42 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 0.00 0.00 0.00 0.00 93 C 9.27 4.91 0.00 1.23 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 94 G 9.47 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 0.00 0.00 0.00 0.00 95 E 8.54 5.16 0.00 1.91 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 2.08 2.10 0.00 96 V 8.26 4.41 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 0.73 0.00 0.00 0.89 0.00 0.00 97 E 9.05 4.52 0.00 1.89 1.68 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 2.13 2.16 0.00 98 G 9.04 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 99 I 8.93 4.40 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.75 0.89 0.00 0.00 100 I 7.83 4.34 1.79 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 1.06 0.66 0.82 0.00 0.00 101 I 8.15 4.26 1.57 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.38 0.00 0.00 102 K 8.39 4.28 0.00 1.79 1.51 0.00 1.50 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 1.37 7.81 103 F 8.64 5.09 0.00 2.89 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 0.00 104 T 8.71 4.47 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 1.22 0.00 0.00 105 S 7.83 4.66 0.00 3.93 3.66 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 G 8.18 4.75 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 0.00 107 T 9.29 5.26 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 1.25 0.00 0.00 108 R 9.19 4.73 0.00 1.93 1.88 0.00 3.17 0.00 0.00 3.43 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 109 L 9.06 5.07 0.00 1.87 1.79 0.79 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 9.05 4.98 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 111 F 8.88 4.86 0.00 3.01 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