NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0827 8.0549 120.3917 62.6173 32.6679 174.9771 2 L 4.2221 8.3021 126.9688 52.1650 42.8523 175.6296 3 S 4.6034 8.9934 117.5474 57.5056 66.6083 174.7743 4 E 4.2795 8.8315 122.6769 59.5064 29.1890 179.1635 5 G 3.6542 8.0839 105.3465 47.8584 0.0000 175.4304 6 E 3.9435 7.9572 120.5798 58.8579 29.3826 179.4359 7 W 4.3368 8.2264 119.0488 59.8878 29.0894 178.5133 8 Q 4.1398 8.4179 118.0131 59.1041 27.6437 178.9361 9 L 4.0831 7.8457 119.8323 57.6364 41.5850 179.8726 10 V 3.7446 7.7133 117.7014 66.2479 31.7757 178.2939 11 L 4.2660 8.5734 118.9255 57.7667 41.1517 179.0561 12 H 4.3254 8.3634 118.3549 59.1005 30.1740 177.2905 13 V 3.7519 7.7358 120.0010 64.1885 31.5064 178.2306 14 W 3.9001 8.4598 128.8985 60.0091 30.2778 177.7932 15 A 4.0443 7.8400 119.7525 54.6015 18.0199 179.4468 16 K 3.9376 7.6587 117.4211 59.3048 32.1345 179.4732 17 V 2.8270 7.0952 117.9640 65.8176 31.0752 177.5680 18 E 3.8301 7.5140 115.8722 58.2886 29.2902 178.5416 19 A 4.1828 7.5565 120.2531 53.6955 20.0469 177.6304 20 D 4.6837 7.9116 116.0574 52.1753 43.1685 175.7985 21 V 3.4385 7.7946 124.1823 64.5411 31.8138 178.2999 22 A 4.0338 7.9730 121.1322 54.8292 18.4492 179.7119 23 G 3.7860 8.1141 105.4609 47.7622 0.0000 175.7261 24 H 4.1450 8.2746 118.7411 58.2899 28.6388 178.0895 25 G 3.2947 8.2164 107.9236 47.7474 0.0000 175.7410 26 Q 4.1087 7.9228 120.6181 58.8561 28.7545 178.6676 27 D 4.3392 7.8307 119.3771 57.3608 40.7220 179.0184 28 I 3.5656 7.4618 120.1138 64.0355 36.9644 178.2145 29 W 4.4100 7.6875 119.6900 60.1427 28.9395 178.5123 30 I 3.7913 7.9701 119.3399 64.5061 36.5745 178.5154 31 R 3.8368 7.9507 119.4785 59.1982 29.8475 178.3967 32 L 3.8797 7.9223 120.2402 58.3505 41.7129 179.0719 33 F 4.7174 8.0945 117.7022 60.1160 38.5390 177.7899 34 K 4.1133 7.9619 117.7386 59.1312 32.1235 179.1021 35 S 4.2567 7.8899 114.6966 60.4165 64.4037 174.5743 36 H 4.8073 8.3855 118.1745 51.9122 29.3654 171.7984 37 P 4.5222 0.0000 0.0000 64.7816 31.3950 177.6948 38 E 4.1211 8.2963 116.0608 59.5500 29.3860 179.1825 39 T 3.8801 8.1331 110.9026 64.5314 68.7660 176.2466 40 L 3.9583 8.1143 122.8564 57.9325 41.7616 178.6858 41 E 4.1299 7.9355 117.6227 58.8793 29.3868 178.9308 42 K 4.3859 8.0956 117.8790 57.5676 32.7743 177.6100 43 F 4.4907 8.0845 118.8742 55.7891 38.4511 176.0447 44 D 4.3673 8.3876 123.7228 56.3243 41.0092 177.9157 45 R 3.9443 7.6275 117.8633 57.2813 30.5351 176.3448 46 F 5.0293 7.4981 113.6597 56.6487 40.7473 176.4725 47 K 4.0326 8.3188 120.5664 59.0587 32.2907 177.5507 48 H 4.4518 8.0885 114.0158 56.7268 29.1916 175.4682 49 L 4.0417 7.4850 121.6413 54.9909 41.7125 176.7751 50 K 4.1692 9.8704 124.8046 58.0734 33.1168 177.2269 51 T 4.6445 7.4229 107.4516 59.3247 72.7962 174.3896 52 E 3.9639 8.5509 120.2069 59.0131 29.6769 178.2957 53 A 3.9642 7.9176 120.5435 55.2949 18.3352 179.2387 54 E 3.9292 7.7430 115.1192 59.7498 29.8729 179.3214 55 M 4.1298 7.9178 118.3176 58.3690 31.8823 178.7918 56 K 3.9652 8.1514 118.1870 59.0564 32.3759 177.9326 57 A 4.4478 7.5979 119.1979 52.2017 19.0406 177.1703 58 S 4.1425 7.4800 112.9940 58.0939 62.7256 174.4989 59 E 4.0382 8.8874 129.3278 59.3301 29.4752 178.2894 60 D 4.4765 8.1128 118.7626 57.2847 41.0352 178.2529 61 L 3.2419 8.0809 120.9094 57.5615 41.8118 178.9919 62 K 4.0402 7.9135 119.5906 59.4846 32.2519 179.0133 63 K 4.0723 8.1675 118.8682 59.7985 31.9138 178.8667 64 H 4.5687 8.7568 118.7537 59.1843 29.7459 177.5391 65 G 3.7076 8.6128 107.8608 47.8199 0.0000 175.8632 66 V 3.6051 7.7585 120.4149 66.0268 31.6774 178.2478 67 T 3.9369 7.9797 115.4186 66.5796 68.3199 176.6903 68 V 3.6365 8.0552 120.1314 66.2408 31.5928 178.1821 69 L 4.1777 8.0994 118.6363 58.0026 41.3830 179.8400 70 T 3.9661 8.1146 115.7842 66.5165 68.2635 176.6377 71 A 4.0164 7.9536 122.3469 55.0654 18.3527 179.4822 72 L 3.7574 8.1140 119.0550 58.0117 42.1285 179.4086 73 G 3.2367 8.4193 105.7989 47.6378 0.0000 175.4896 74 A 3.9994 7.7638 122.2141 54.7849 18.6343 179.6554 75 I 3.7657 7.3185 118.1450 64.6235 37.2703 178.5247 76 L 3.9774 7.7069 119.8320 57.8366 41.2146 179.6645 77 K 3.9777 7.7373 116.5334 58.2556 32.2497 178.5762 78 K 3.9909 7.9203 118.2018 55.7408 32.7789 176.4419 79 K 2.0000 8.2070 118.5329 56.4080 29.8482 175.2746 80 G 3.9809 7.9804 105.8255 45.7293 0.0000 173.7672 81 H 4.9696 7.6250 118.4244 54.7800 27.6678 175.4273 82 H 5.2931 7.1996 113.3799 54.7364 29.3332 175.6625 83 E 3.9855 8.3746 122.8075 60.3956 29.0621 179.0802 84 A 4.0353 7.9372 118.3513 55.2941 19.1120 179.0894 85 E 4.1157 8.1610 116.6054 59.3533 29.5427 179.3190 86 L 4.0090 8.1671 119.2640 57.2642 41.6914 179.1580 87 K 3.9079 7.8522 119.1128 59.3255 32.2136 177.4960 88 P 4.3497 0.0000 0.0000 65.6589 31.2232 178.1292 89 L 4.0940 7.5415 118.3325 57.9174 42.0251 178.7244 90 A 4.2680 8.5028 121.2875 55.0053 18.2486 179.4266 91 Q 3.8654 8.2473 118.4155 59.3649 29.1824 178.6801 92 S 4.0081 7.9426 114.7864 61.9392 63.1261 176.1364 93 H 4.2349 8.6185 119.5098 57.5232 28.1771 177.4908 94 A 2.9999 7.5436 121.9876 54.4891 19.0093 179.1481 95 T 3.8491 7.5628 112.6626 65.1646 68.7949 175.8904 96 K 4.1468 7.4257 119.5985 58.5121 33.1751 177.1261 97 H 4.2322 7.8341 114.4974 56.3883 29.4115 175.6601 98 K 3.2776 7.4991 116.8250 57.0808 28.6737 176.0906 99 I 4.2648 8.2338 119.1575 58.9076 38.1655 175.1233 100 P 4.6852 0.0000 0.0000 62.2200 32.2001 177.4213 101 I 3.6501 8.4245 120.3463 64.5292 37.0150 178.3779 102 K 3.6535 7.9953 119.9239 59.8030 31.8483 178.1172 103 Y 4.2665 7.9617 116.7159 60.5985 37.9273 177.8705 104 L 4.3041 8.0125 120.1455 57.4040 41.6568 179.2603 105 E 4.0406 7.9250 118.5119 59.3551 29.5565 179.0222 106 F 4.5454 7.7947 117.4997 60.8020 39.0234 177.5920 107 I 3.9338 8.1485 118.0555 63.7717 37.7410 178.1799 108 S 4.1942 8.0762 116.3376 61.5140 62.7241 176.0210 109 E 4.0140 8.5900 121.9365 59.3105 29.3420 178.8102 110 A 4.0284 8.0189 120.7701 55.0358 18.4479 179.6672 111 I 3.6053 7.8892 118.3503 64.6235 37.1561 178.7256 112 I 3.8431 7.8085 120.6129 64.6513 36.9532 177.9687 113 H 4.1104 8.2390 118.9954 59.3053 29.6934 177.5446 114 V 3.5527 7.8439 120.0618 65.9362 31.3154 178.0428 115 L 3.7410 7.7772 118.7910 57.8515 41.0464 178.9511 116 H 4.3927 8.0213 117.4618 59.2614 29.8435 177.3856 117 S 4.1811 7.7208 116.1829 61.6811 62.9083 176.5052 118 R 4.0443 7.7489 118.6320 57.6842 31.1455 176.4178 119 H 5.0298 8.2175 115.9692 53.8440 29.5313 173.0594 120 P 4.3366 0.0000 0.0000 65.7893 31.6553 179.2545 121 G 3.6143 8.1514 106.8140 47.5849 0.0000 173.7556 122 N 5.0233 8.1345 115.1043 52.8939 39.5695 174.9998 123 F 4.9216 7.7872 118.5998 56.2222 39.4187 173.9769 124 G 3.9233 7.5773 109.8143 43.6169 0.0000 171.6894 125 A 3.8926 8.4215 120.6496 55.4885 18.2273 179.6858 126 D 4.1997 7.9544 116.4543 57.3284 41.0030 178.6590 127 A 3.9222 7.7598 120.8059 55.2132 18.3844 179.3186 128 Q 3.2058 7.8635 118.4758 58.7457 28.9776 178.5205 129 G 3.5559 7.9299 106.6482 47.7883 0.0000 175.5300 130 A 3.8478 7.9042 123.3405 54.9368 18.4050 179.4105 131 M 3.9750 8.1007 116.7767 58.7069 32.2549 177.9066 132 N 4.3080 8.5139 117.6544 56.6345 39.1367 176.7136 133 K 3.8255 8.0140 120.7924 59.4083 32.2377 178.6523 134 A 3.8096 8.0525 121.1943 55.1052 18.2329 179.6716 135 L 4.1219 8.1254 117.5223 57.8534 41.6094 179.5479 136 E 4.0109 8.6050 119.0788 58.9728 29.3400 179.0992 137 L 3.9413 7.8854 120.7379 57.9414 42.1967 178.5696 138 F 4.1412 8.3196 120.5780 61.6605 39.2827 177.3169 139 R 3.4993 8.2442 117.5844 58.8810 29.7045 179.0242 140 K 3.8231 8.2012 119.6079 59.7012 32.3596 178.6844 141 D 4.3744 8.0800 119.0034 57.0159 40.6093 178.9347 142 I 3.4702 7.4742 120.4060 64.1112 37.1281 178.1931 143 A 3.6155 7.8887 121.6113 54.7901 18.1608 179.5851 144 A 3.8884 7.6683 119.1168 55.2279 18.4258 179.7406 145 K 3.9200 7.8836 117.7671 59.7822 32.1738 178.2196 146 Y 4.3872 8.4037 117.4902 61.3247 37.8661 178.8242 147 K 3.9342 8.0919 119.8507 59.7653 32.1009 178.5962 148 E 4.0285 7.8082 116.9528 59.2894 29.4785 178.7464 149 L 4.3259 8.1511 117.0811 55.3554 41.8870 177.7472 150 G 3.9195 8.1089 107.3117 45.4282 0.0000 172.2720 151 Y 4.7449 7.8554 120.2963 55.0432 40.7648 175.3189 152 Q 3.8133 8.4366 128.6991 57.7712 29.5027 176.0770 153 G 3.8292 6.3012 109.6126 45.5101 0.0000 172.8027 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 V 8.05 4.08 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 1.05 0.00 0.00 0.95 0.00 0.00 2 L 8.30 4.22 0.00 1.08 0.78 0.62 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.99 4.60 0.00 4.03 3.97 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 0.00 0.00 0.00 4 E 8.83 4.28 0.00 2.19 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 2.43 2.51 0.00 5 G 8.08 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 6 E 7.96 3.94 0.00 1.89 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 2.23 2.26 0.00 7 W 8.23 4.34 0.00 3.58 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.42 4.14 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 9 L 7.85 4.08 0.00 1.82 1.75 0.89 1.22 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 10 V 7.71 3.74 2.47 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 1.17 0.00 0.00 0.94 0.00 0.00 11 L 8.57 4.27 0.00 1.79 1.82 0.94 1.12 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 12 H 8.36 4.33 0.00 3.26 3.59 0.00 5.94 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.74 3.75 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 1.02 0.00 0.00 0.86 0.00 0.00 14 W 8.46 3.90 0.00 3.65 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 15 A 7.84 4.04 1.40 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 16 K 7.66 3.94 0.00 1.54 1.59 0.00 1.62 0.00 0.00 1.47 0.00 0.00 2.72 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.41 7.81 17 V 7.10 2.83 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 0.00 0.00 -0.03 0.00 0.00 0.40 0.00 0.00 18 E 7.51 3.83 0.00 2.01 1.92 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 2.21 2.29 0.00 19 A 7.56 4.18 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 20 D 7.91 4.68 0.00 2.70 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 21 V 7.79 3.44 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 0.81 0.00 0.00 0.86 0.00 0.00 22 A 7.97 4.03 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 23 G 8.11 3.79 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 0.00 0.00 0.00 24 H 8.27 4.15 0.00 3.19 3.15 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.22 3.29 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 0.00 26 Q 7.92 4.11 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 27 D 7.83 4.34 0.00 2.72 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 28 I 7.46 3.57 1.53 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.61 0.61 0.00 0.00 29 W 7.69 4.41 0.00 3.42 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 30 I 7.97 3.79 1.89 0.00 0.00 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 1.48 1.04 0.93 0.00 0.00 31 R 7.95 3.84 0.00 1.95 2.08 0.00 3.02 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 32 L 7.92 3.88 0.00 1.79 1.48 1.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.09 4.72 0.00 3.09 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 34 K 7.96 4.11 0.00 1.77 1.85 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.76 1.63 7.81 35 S 7.89 4.26 0.00 3.75 3.61 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 36 H 8.39 4.81 0.00 2.99 2.83 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.52 0.00 2.16 2.14 0.00 3.85 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 38 E 8.30 4.12 0.00 2.31 2.31 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 2.30 2.52 0.00 39 T 8.13 3.88 4.47 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 0.86 0.00 0.00 40 L 8.11 3.96 0.00 1.41 1.79 0.12 0.44 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 41 E 7.94 4.13 0.00 2.19 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 2.40 2.56 0.00 42 K 8.10 4.39 0.00 1.64 1.74 0.00 1.82 0.00 0.00 1.96 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.91 1.95 7.81 43 F 8.08 4.49 0.00 3.28 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 44 D 8.39 4.37 0.00 2.60 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 45 R 7.63 3.94 0.00 1.38 0.85 0.00 3.00 0.00 0.00 3.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.33 0.00 46 F 7.50 5.03 0.00 2.81 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 47 K 8.32 4.03 0.00 2.00 2.22 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.39 7.81 48 H 8.09 4.45 0.00 3.29 3.44 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.49 4.04 0.00 1.52 1.53 0.77 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.87 4.17 0.00 1.67 1.83 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.48 7.81 51 T 7.42 4.64 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 1.20 0.00 0.00 52 E 8.55 3.96 0.00 2.06 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 2.39 0.00 53 A 7.92 3.96 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 54 E 7.74 3.93 0.00 2.06 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 0.00 2.33 2.34 0.00 55 M 7.92 4.13 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.48 0.00 56 K 8.15 3.97 0.00 1.90 1.93 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 57 A 7.60 4.45 1.38 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 58 S 7.48 4.14 0.00 3.89 3.85 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 59 E 8.89 4.04 0.00 2.15 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 2.41 2.50 0.00 60 D 8.11 4.48 0.00 2.99 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 61 L 8.08 3.24 0.00 1.04 1.56 -0.81 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.91 4.04 0.00 1.95 2.02 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.51 7.81 63 K 8.17 4.07 0.00 2.14 1.95 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.71 7.81 64 H 8.76 4.57 0.00 3.55 3.62 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.61 3.71 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 0.00 0.00 0.00 66 V 7.76 3.61 2.29 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 1.05 0.00 0.00 0.99 0.00 0.00 67 T 7.98 3.94 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 1.33 0.00 0.00 68 V 8.06 3.64 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 1.02 0.00 0.00 1.26 0.00 0.00 69 L 8.10 4.18 0.00 1.71 1.80 0.75 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.11 3.97 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 1.26 0.00 0.00 71 A 7.95 4.02 1.42 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 72 L 8.11 3.76 0.00 1.62 1.75 0.31 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.42 3.24 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 0.00 74 A 7.76 4.00 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 75 I 7.32 3.77 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.92 0.92 0.00 0.00 76 L 7.71 3.98 0.00 1.22 1.57 -0.15 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.74 3.98 0.00 1.64 1.79 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.53 7.81 78 K 7.92 3.99 0.00 1.89 1.80 0.00 1.94 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.59 7.81 79 K 8.21 2.00 0.00 1.23 0.74 0.00 1.36 0.00 0.00 1.27 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.31 0.95 7.81 80 G 7.98 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 81 H 7.63 4.97 0.00 3.18 3.22 0.00 5.58 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 82 H 7.20 5.29 0.00 3.36 3.48 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 83 E 8.37 3.99 0.00 2.10 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 0.00 2.42 2.49 0.00 84 A 7.94 4.04 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 85 E 8.16 4.12 0.00 2.27 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 2.47 0.00 86 L 8.17 4.01 0.00 1.74 1.71 0.81 0.81 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 87 K 7.85 3.91 0.00 1.77 1.91 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.65 7.81 88 P 0.00 4.35 0.00 2.31 2.34 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.06 0.00 89 L 7.54 4.09 0.00 1.93 1.95 0.99 1.26 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 90 A 8.50 4.27 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.25 3.87 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 92 S 7.94 4.01 0.00 4.07 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 0.00 93 H 8.62 4.23 0.00 3.62 3.65 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.54 3.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.56 3.85 4.20 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 1.11 0.00 0.00 96 K 7.43 4.15 0.00 1.53 1.61 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.20 1.33 7.81 97 H 7.83 4.23 0.00 3.06 3.15 0.00 5.86 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 98 K 7.50 3.28 0.00 1.79 1.71 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.03 1.42 7.81 99 I 8.23 4.26 2.13 0.00 0.00 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 1.40 0.93 1.17 0.00 0.00 100 P 0.00 4.69 0.00 2.03 2.04 0.00 3.21 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.25 0.00 101 I 8.42 3.65 1.80 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.68 0.81 0.00 0.00 102 K 8.00 3.65 0.00 1.70 1.70 0.00 1.72 0.00 0.00 1.93 0.00 0.00 3.33 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.79 1.29 7.81 103 Y 7.96 4.27 0.00 3.27 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 0.00 104 L 8.01 4.30 0.00 1.89 1.84 0.78 1.18 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 0.00 105 E 7.92 4.04 0.00 2.03 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 0.00 2.39 2.54 0.00 106 F 7.79 4.55 0.00 3.26 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 0.00 107 I 8.15 3.93 2.07 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.40 1.08 0.00 0.00 108 S 8.08 4.19 0.00 4.25 3.97 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 0.00 0.00 0.00 109 E 8.59 4.01 0.00 2.17 2.31 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 2.38 2.41 0.00 110 A 8.02 4.03 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 0.00 111 I 7.89 3.61 2.07 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 1.49 1.04 0.99 0.00 0.00 112 I 7.81 3.84 2.12 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.82 1.13 0.00 0.00 113 H 8.24 4.11 0.00 3.34 3.44 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.84 3.55 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 0.85 0.00 0.00 0.95 0.00 0.00 115 L 7.78 3.74 0.00 0.76 0.36 0.76 0.52 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 0.00 116 H 8.02 4.39 0.00 3.51 3.54 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.72 4.18 0.00 3.94 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 0.00 118 R 7.75 4.04 0.00 1.47 1.58 0.00 3.09 0.00 0.00 2.94 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 119 H 8.22 5.03 0.00 3.16 3.16 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.34 0.00 2.20 2.26 0.00 3.66 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 121 G 8.15 3.61 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 0.00 0.00 0.00 122 N 8.13 5.02 0.00 2.78 2.88 0.00 0.00 6.68 7.39 0.00 0.00 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 F 7.79 4.92 0.00 2.98 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 0.00 124 G 7.58 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 0.00 0.00 0.00 125 A 8.42 3.89 1.27 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 0.00 0.00 126 D 7.95 4.20 0.00 2.65 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 0.00 127 A 7.76 3.92 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 0.00 128 Q 7.86 3.21 0.00 1.40 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.17 0.00 129 G 7.93 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 0.00 130 A 7.90 3.85 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 0.00 131 M 8.10 3.98 0.00 2.38 2.36 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.90 0.00 132 N 8.51 4.31 0.00 2.90 2.93 0.00 0.00 6.86 6.99 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 0.00 133 K 8.01 3.83 0.00 1.90 1.79 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.36 7.81 134 A 8.05 3.81 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 0.00 135 L 8.13 4.12 0.00 1.77 1.81 0.98 0.71 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 0.00 136 E 8.61 4.01 0.00 1.99 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 0.00 2.34 2.56 0.00 137 L 7.89 3.94 0.00 1.89 1.99 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.32 4.14 0.00 3.15 3.29 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 0.00 139 R 8.24 3.50 0.00 1.84 1.85 0.00 3.18 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.01 0.00 140 K 8.20 3.82 0.00 1.88 1.93 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.08 4.37 0.00 2.69 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 0.00 142 I 7.47 3.47 1.21 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 -0.34 0.23 0.00 0.00 143 A 7.89 3.62 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.67 3.89 1.38 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 0.00 145 K 7.88 3.92 0.00 2.14 1.93 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.57 7.81 146 Y 8.40 4.39 0.00 3.10 3.24 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 0.00 147 K 8.09 3.93 0.00 1.88 1.98 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.81 4.03 0.00 2.22 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 2.36 2.49 0.00 149 L 8.15 4.33 0.00 1.76 1.71 0.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.11 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 0.00 0.00 0.00 151 Y 7.86 4.74 0.00 2.57 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 0.00 152 Q 8.44 3.81 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.37 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 153 G 6.30 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