NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3989 8.1233 123.5934 51.7469 19.6600 178.8216 3 S 3.7186 8.5319 116.3753 63.7692 62.5331 173.8368 4 K 3.9849 8.0551 121.5273 59.3828 32.9779 178.8197 5 R 3.8617 7.9184 118.4692 59.7138 30.1250 178.4283 6 I 3.5681 8.2436 119.7428 64.5350 36.9133 178.2319 7 H 4.1104 8.0774 116.5910 58.8774 28.4836 177.8957 8 K 4.0523 8.2643 121.2748 59.2728 32.0426 178.4852 9 E 4.3959 8.0769 120.9919 58.5525 29.5392 178.5454 10 L 4.3480 8.0943 120.2030 58.2587 42.2647 178.7138 11 N 4.4311 8.1463 116.4992 56.3225 38.3555 177.1305 12 D 4.4874 8.1360 119.9245 56.7399 40.6209 178.2289 13 L 4.2950 7.4174 117.4584 56.0163 42.0783 177.7283 14 A 4.5569 7.6930 118.7551 51.9003 19.1959 177.4099 15 R 4.5098 7.9169 112.9567 56.3139 31.8475 175.9615 16 D 4.7308 7.9237 117.4038 51.5168 41.6449 173.5000 17 P 4.2627 0.0000 0.0000 62.5732 32.2798 175.0224 18 P 4.4134 0.0000 0.0000 62.3050 31.9256 175.1634 19 A 4.1037 8.3323 122.1502 53.3535 19.0367 177.5444 20 Q 3.7125 9.1986 119.4064 56.3568 26.5550 172.5389 21 C 5.7443 7.9988 111.3440 57.1818 32.7797 173.5242 22 S 4.9839 8.6143 117.3200 56.5659 65.9396 172.8059 23 A 5.1039 8.4012 122.3362 51.0879 22.3470 175.0848 24 G 3.3304 8.1240 105.5739 44.4245 0.0000 170.9059 25 P 4.3953 0.0000 0.0000 61.9295 31.9960 176.9197 26 V 3.5813 8.6809 125.5738 62.5597 31.6750 176.8892 27 G 3.9832 8.9525 121.1843 46.9385 0.0000 174.9704 28 D 4.7832 8.7984 123.7925 53.6656 43.1972 175.4619 29 D 4.4651 7.9496 119.7119 54.1679 41.6944 176.8296 30 M 4.1119 8.3669 125.9359 57.9552 32.3191 177.1073 31 F 4.8880 7.8797 114.9755 58.2616 39.5866 174.3325 32 H 5.4946 8.2680 118.7561 53.8668 31.9218 172.6107 33 W 5.3271 9.6762 123.4536 54.9666 32.6620 174.7353 34 Q 4.9801 9.0311 124.2170 55.2247 30.9372 174.1500 35 A 5.2710 8.6374 124.0427 50.8327 23.3618 175.3063 36 T 5.2140 8.9059 110.6101 60.0554 72.7357 173.1555 37 I 5.0404 9.2242 124.5454 59.7157 41.0423 174.5532 38 M 4.5227 8.9471 128.4653 54.9702 32.3050 176.6936 39 G 4.1546 9.4178 112.8060 45.9987 0.0000 171.0281 40 P 4.4380 0.0000 0.0000 63.1205 31.5593 176.0156 41 N 4.5806 8.6205 117.7646 54.3955 39.5410 174.2104 42 D 4.4720 9.2595 118.6887 54.6764 38.8028 173.9686 43 S 4.7229 7.3387 111.5279 56.5027 65.9604 173.7819 44 P 4.2807 0.0000 0.0000 64.2670 30.6866 176.1328 45 Y 4.8695 7.9112 114.7531 56.8831 38.6327 175.0781 46 Q 4.2893 8.1499 121.3913 58.2335 29.1625 176.9897 47 G 3.9459 9.2351 112.6395 45.4635 0.0000 172.8696 48 G 3.9648 8.0564 107.0837 44.5607 0.0000 173.5964 49 V 4.5892 7.6560 121.7845 60.9001 33.4962 174.6571 50 F 4.6892 8.6167 126.8451 55.7406 41.4565 175.1027 51 F 5.5779 8.5694 121.1262 56.1719 42.0571 174.6665 52 L 5.3359 9.5182 121.0017 53.5668 46.9338 175.5314 53 T 4.9444 9.1418 116.7557 62.1178 71.5443 173.2695 54 I 4.5590 8.5698 128.0923 59.8140 39.2539 174.3919 55 H 5.2478 8.6424 126.6233 54.3167 32.4319 172.3492 56 F 4.5068 8.8565 126.5213 55.7138 39.4097 174.6095 57 P 4.3006 0.0000 0.0000 62.1900 31.9280 177.4676 58 T 3.5756 8.0887 108.8138 64.2279 68.7824 174.7009 59 D 4.8165 7.9428 120.8294 54.1887 41.2635 175.4330 60 Y 4.5874 7.8709 121.6359 57.5547 39.1593 173.8249 61 P 4.0220 0.0000 0.0000 62.3500 31.5993 176.5942 62 F 4.5027 8.1393 120.6880 59.9277 39.0289 175.8664 63 K 4.6160 7.7597 118.2281 53.3409 34.6030 174.1343 64 P 2.0000 0.0000 0.0000 61.1485 31.8731 173.7062 65 P 4.4272 0.0000 0.0000 60.9688 32.4841 175.6033 66 K 3.8956 8.0169 123.8598 57.0226 33.3823 175.9511 67 V 4.7985 8.2362 124.1742 60.8781 34.1775 174.2934 68 A 4.8672 8.4076 127.2828 50.3995 23.3517 174.9323 69 F 4.6823 9.3626 120.1739 57.4887 39.5579 177.2328 70 T 4.1358 9.0652 121.6544 66.1669 68.9223 176.0443 71 T 4.3097 7.9966 116.6827 62.9924 69.2678 174.3569 72 R 4.0827 8.4188 124.3640 56.0199 30.4748 176.0282 73 I 4.8310 8.2685 122.4349 59.4488 40.7578 174.9796 74 Y 3.7710 8.6734 128.8357 55.9044 37.0606 173.5555 75 H 5.0123 7.5130 121.9829 53.0071 33.6972 171.5870 76 P 4.2965 0.0000 0.0000 64.4784 31.7531 177.6510 77 N 5.0622 8.3192 114.5055 52.5044 38.9326 173.9987 78 I 4.8725 7.3529 119.2453 59.8425 40.3653 174.9725 79 N 4.7426 8.4945 123.8646 51.3603 38.7203 176.1275 80 S 4.2195 8.5170 112.0278 61.1331 62.9428 174.7315 81 N 4.5569 8.9570 117.2499 53.0670 38.6824 175.5949 82 G 4.5478 8.3146 106.5813 46.8797 0.0000 173.3223 83 S 4.6831 8.1263 115.7843 57.5995 63.8328 173.0058 84 I 4.6985 8.1426 125.3083 59.9586 39.0031 175.8576 85 S 4.5687 8.6686 122.1123 56.4591 62.1963 171.6062 86 L 4.6090 7.9080 126.2969 52.8487 44.6059 175.9571 87 D 4.4486 9.2311 127.2402 57.7378 40.8815 178.8088 88 I 3.9378 7.7800 108.9428 62.3432 37.5543 176.1052 89 L 4.5755 8.1233 120.8716 55.0143 41.8380 176.7231 90 R 4.4975 7.7616 115.2994 56.9066 32.8256 176.5714 91 S 4.3630 8.4551 116.9623 61.4955 64.3360 175.7145 92 Q 4.4120 7.9961 117.1587 55.2809 28.5045 175.5140 93 W 4.4578 7.9557 128.1536 57.2995 31.5746 175.1850 94 S 4.3115 6.4848 116.9190 55.6140 64.9274 173.0022 95 P 4.1546 0.0000 0.0000 64.6921 31.3893 177.5550 96 A 3.9311 7.4190 122.3171 54.7193 18.4615 178.3254 97 L 3.9170 6.6874 114.6446 55.1022 42.3580 176.8149 98 K 4.9305 8.2011 120.3263 54.3362 35.3662 177.1031 99 I 3.7657 10.6021 124.0051 64.9639 37.0098 178.6693 100 S 4.2262 8.3629 114.2040 61.8179 62.3144 176.6950 101 K 3.9579 8.0417 121.7147 59.0556 31.5980 179.3341 102 V 3.6150 7.7096 116.6180 66.0618 31.7947 177.3230 103 L 4.1320 8.2686 118.9372 58.1437 41.5854 179.7546 104 L 4.0587 8.2933 118.9392 57.7691 41.3218 179.4456 105 S 4.2130 8.2437 112.3176 60.6972 62.0033 175.4956 106 I 4.0987 7.6355 122.2488 63.6953 37.3316 177.7865 107 C 4.2088 7.8805 117.3214 62.8629 28.0405 175.8307 108 S 4.1610 8.1564 116.7767 61.7514 62.2105 176.6188 109 L 4.1264 7.3165 120.7283 58.2277 41.8654 178.8077 110 L 4.1955 7.6148 117.8989 57.7031 41.5596 178.7274 111 C 4.7610 7.9822 115.4109 60.9904 28.8100 173.2831 112 D 4.5742 7.9956 119.3182 52.0569 42.2098 173.3227 113 P 4.4808 0.0000 0.0000 62.2838 32.3244 177.0057 114 N 4.8171 8.3192 117.5945 50.4196 37.9095 173.7883 115 P 4.2000 0.0000 0.0000 65.2964 32.0020 177.9348 116 D 4.4118 8.1426 117.1758 56.7847 40.8644 176.2534 117 D 4.6443 7.5259 120.1469 52.0373 39.6668 172.4876 118 P 4.4777 0.0000 0.0000 61.6508 32.2434 176.6152 119 L 4.1400 8.5911 125.7259 55.5609 42.5492 176.1705 120 V 4.1665 7.3172 116.5874 59.8880 32.3320 172.7339 121 P 4.0690 0.0000 0.0000 66.0847 30.8187 177.8604 122 E 3.6703 7.6516 117.3473 59.0969 29.6767 178.9418 123 I 3.6191 7.7552 118.3077 64.8148 37.1371 178.1235 124 A 3.9537 7.5835 119.9615 55.2262 18.4044 179.2648 125 R 3.9619 8.3213 117.8327 59.2246 30.2830 178.5135 126 I 3.7051 7.8739 119.4106 64.7301 36.9194 177.4930 127 Y 3.9740 7.7741 119.0774 59.9168 38.8458 176.7088 128 K 4.2910 8.0468 116.3419 56.5459 32.5720 176.7650 129 T 4.3039 7.6589 107.8965 62.6558 70.4126 174.4724 130 D 4.7027 7.5401 126.3964 50.8086 41.5423 175.9113 131 R 3.6537 8.3140 124.9034 59.0509 30.3082 177.0907 132 E 3.9049 8.2191 117.7647 59.6147 29.5457 178.8239 133 K 3.7556 7.6018 118.7562 60.0804 32.1241 177.4679 134 Y 4.1087 7.7958 119.2474 61.1839 38.5071 177.9077 135 N 4.0184 8.2589 115.8474 57.0685 38.9331 176.5772 136 R 3.7621 8.1254 119.8533 58.7359 29.9549 178.0979 137 I 3.3981 7.7820 118.4428 64.7130 37.3895 178.2755 138 A 3.7554 7.4325 120.9999 54.8255 17.9420 180.0005 139 R 4.0072 8.3218 117.2892 59.4543 30.2444 178.9283 140 E 3.9933 8.1025 117.8953 59.2080 29.3875 179.3418 141 W 4.2867 8.7073 119.2362 59.9788 29.4265 178.6031 142 T 4.2442 8.4336 115.0526 65.6388 67.6504 176.7082 143 Q 4.1497 7.8565 119.7923 58.2501 29.3428 177.6045 144 K 3.7865 8.1972 119.4488 58.8457 32.1651 177.2230 145 Y 4.5771 7.6076 114.2133 59.8594 39.6134 177.9259 146 A 3.6796 8.0306 120.5717 54.0923 18.1448 177.2296 147 M 4.1055 7.3439 120.1565 55.4764 32.3220 175.7479 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 2 A 8.12 4.40 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 3 S 8.53 3.72 0.00 3.98 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 4 K 8.06 3.98 0.00 1.83 1.79 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.49 7.81 5 R 7.92 3.86 0.00 1.90 2.09 0.00 3.26 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.84 0.00 6 I 8.24 3.57 1.88 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 1.05 0.92 0.58 0.00 0.00 7 H 8.08 4.11 0.00 3.37 3.36 0.00 5.62 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 8 K 8.26 4.05 0.00 1.86 1.89 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.47 7.81 9 E 8.08 4.40 0.00 2.35 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 0.00 2.40 2.27 0.00 10 L 8.09 4.35 0.00 2.12 1.97 0.51 0.63 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 11 N 8.15 4.43 0.00 2.80 2.87 0.00 0.00 7.01 9.04 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 12 D 8.14 4.49 0.00 2.85 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 13 L 7.42 4.30 0.00 2.04 1.79 1.31 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.69 4.56 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 15 R 7.92 4.51 0.00 1.91 2.02 0.00 3.14 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 16 D 7.92 4.73 0.00 2.60 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 17 P 0.00 4.26 0.00 2.24 2.22 0.00 3.85 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 18 P 0.00 4.41 0.00 2.28 2.28 0.00 3.81 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 2.39 2.04 0.00 19 A 8.33 4.10 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 20 Q 9.20 3.71 0.00 2.31 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 21 C 8.00 5.74 0.00 3.05 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 22 S 8.61 4.98 0.00 4.01 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 23 A 8.40 5.10 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 24 G 8.12 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 0.00 0.00 0.00 25 P 0.00 4.40 0.00 1.72 1.84 0.00 3.23 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.27 0.00 26 V 8.68 3.58 2.13 0.00 0.00 0.00 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 1.00 0.00 0.00 27 G 8.95 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 28 D 8.80 4.78 0.00 2.62 2.66 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 29 D 7.95 4.47 0.00 2.82 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 30 M 8.37 4.11 0.00 1.73 1.56 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 31 F 7.88 4.89 0.00 3.11 3.18 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 32 H 8.27 5.49 0.00 3.28 3.24 0.00 5.55 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 W 9.68 5.33 0.00 3.18 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 34 Q 9.03 4.98 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 35 A 8.64 5.27 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 36 T 8.91 5.21 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 1.54 0.00 0.00 37 I 9.22 5.04 2.05 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 1.28 1.32 1.04 0.00 0.00 38 M 8.95 4.52 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.53 0.00 39 G 9.42 4.15 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 0.00 40 P 0.00 4.44 0.00 2.27 2.17 0.00 3.85 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 41 N 8.62 4.58 0.00 2.76 2.97 0.00 0.00 7.01 8.06 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 42 D 9.26 4.47 0.00 2.83 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 43 S 7.34 4.72 0.00 4.16 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 44 P 0.00 4.28 0.00 1.62 2.02 0.00 3.76 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 1.18 1.99 0.00 45 Y 7.91 4.87 0.00 3.21 3.23 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 46 Q 8.15 4.29 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.96 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 47 G 9.24 3.95 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 0.00 0.00 0.00 48 G 8.06 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 49 V 7.66 4.59 1.85 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 0.44 0.00 0.00 0.87 0.00 0.00 50 F 8.62 4.69 0.00 3.10 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 5.58 0.00 3.12 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 52 L 9.52 5.34 0.00 1.42 1.40 0.83 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 53 T 9.14 4.94 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 1.22 0.00 0.00 54 I 8.57 4.56 1.73 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 0.92 0.55 0.00 0.00 0.00 55 H 8.64 5.25 0.00 3.14 3.02 0.00 5.59 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.86 4.51 0.00 3.05 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 57 P 0.00 4.30 0.00 2.12 2.01 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 58 T 8.09 3.58 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 0.98 0.00 0.00 59 D 7.94 4.82 0.00 2.77 2.87 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 60 Y 7.87 4.59 0.00 3.04 2.94 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 61 P 0.00 4.02 0.00 1.78 0.78 0.00 3.12 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.46 0.00 62 F 8.14 4.50 0.00 3.25 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 63 K 7.76 4.62 0.00 1.66 1.56 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.33 7.81 64 P 0.00 2.00 0.00 1.73 1.17 0.00 3.46 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 65 P 0.00 4.43 0.00 1.31 1.57 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 66 K 8.02 3.90 0.00 1.84 1.86 0.00 1.16 0.00 0.00 1.50 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.48 7.81 67 V 8.24 4.80 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 0.61 0.00 0.00 0.78 0.00 0.00 68 A 8.41 4.87 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 69 F 9.36 4.68 0.00 2.96 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 70 T 9.07 4.14 4.43 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 1.29 0.00 0.00 71 T 8.00 4.31 4.59 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 1.30 0.00 0.00 72 R 8.42 4.08 0.00 0.81 1.09 0.00 2.76 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.61 0.00 73 I 8.27 4.83 1.33 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 0.91 0.56 0.56 0.00 0.00 74 Y 8.67 3.77 0.00 1.86 2.55 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 75 H 7.51 5.01 0.00 2.92 2.91 0.00 5.78 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 76 P 0.00 4.30 0.00 1.98 1.86 0.00 3.07 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.82 0.00 77 N 8.32 5.06 0.00 2.69 2.86 0.00 0.00 6.92 7.47 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 78 I 7.35 4.87 1.71 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 1.48 0.31 0.88 0.00 0.00 79 N 8.49 4.74 0.00 2.95 2.96 0.00 0.00 6.31 8.24 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 80 S 8.52 4.22 0.00 4.05 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 81 N 8.96 4.56 0.00 2.84 2.91 0.00 0.00 7.02 7.56 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 82 G 8.31 4.55 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 0.00 0.00 0.00 83 S 8.13 4.68 0.00 4.02 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 84 I 8.14 4.70 1.84 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.76 0.90 0.00 0.00 85 S 8.67 4.57 0.00 3.85 3.75 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 86 L 7.91 4.61 0.00 1.74 1.46 0.96 1.23 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 87 D 9.23 4.45 0.00 2.83 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 88 I 7.78 3.94 1.98 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 1.46 0.61 0.94 0.00 0.00 89 L 8.12 4.58 0.00 1.81 1.70 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.76 4.50 0.00 1.76 1.71 0.00 3.15 0.00 0.00 3.27 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 91 S 8.46 4.36 0.00 4.01 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 92 Q 8.00 4.41 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 93 W 7.96 4.46 0.00 3.64 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 94 S 6.48 4.31 0.00 3.61 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 95 P 0.00 4.15 0.00 2.00 2.10 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.91 0.00 96 A 7.42 3.93 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 97 L 6.69 3.92 0.00 0.82 1.45 0.75 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.20 4.93 0.00 1.82 1.72 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.40 7.81 99 I 10.60 3.77 1.97 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 2.00 0.81 0.97 0.00 0.00 100 S 8.36 4.23 0.00 4.10 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 0.00 101 K 8.04 3.96 0.00 2.02 1.91 0.00 1.73 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.46 7.81 102 V 7.71 3.62 2.27 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 0.87 0.00 0.00 1.17 0.00 0.00 103 L 8.27 4.13 0.00 1.90 1.75 1.03 0.52 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 0.00 104 L 8.29 4.06 0.00 1.82 1.74 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.24 4.21 0.00 4.14 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 0.00 106 I 7.64 4.10 2.01 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.12 0.93 0.00 0.00 107 C 7.88 4.21 0.00 3.14 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 0.00 108 S 8.16 4.16 0.00 4.07 3.95 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 0.00 109 L 7.32 4.13 0.00 1.64 1.89 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.61 4.20 0.00 1.83 1.57 0.73 0.15 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 0.00 111 C 7.98 4.76 0.00 3.13 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 0.00 112 D 8.00 4.57 0.00 2.65 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 0.00 113 P 0.00 4.48 0.00 1.24 1.54 0.00 3.59 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 1.34 1.87 0.00 114 N 8.32 4.82 0.00 2.71 2.79 0.00 0.00 7.41 7.31 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 0.00 115 P 0.00 4.20 0.00 2.06 2.20 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 116 D 8.14 4.41 0.00 2.65 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 0.00 117 D 7.53 4.64 0.00 2.63 2.61 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 0.00 118 P 0.00 4.48 0.00 2.14 2.02 0.00 3.73 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 1.94 1.92 0.00 119 L 8.59 4.14 0.00 1.56 1.84 0.90 1.28 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 V 7.32 4.17 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 0.84 0.00 0.00 0.89 0.00 0.00 121 P 0.00 4.07 0.00 2.24 2.25 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 122 E 7.65 3.67 0.00 2.05 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 2.43 2.48 0.00 123 I 7.76 3.62 1.62 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.52 0.62 0.00 0.00 124 A 7.58 3.95 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 0.00 125 R 8.32 3.96 0.00 1.96 1.91 0.00 3.15 0.00 0.00 3.18 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 126 I 7.87 3.71 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.24 1.06 0.00 0.00 127 Y 7.77 3.97 0.00 2.88 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 0.00 128 K 8.05 4.29 0.00 2.02 1.84 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.61 7.81 129 T 7.66 4.30 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 0.00 130 D 7.54 4.70 0.00 2.73 2.69 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 0.00 0.00 0.00 131 R 8.31 3.65 0.00 1.72 1.79 0.00 3.04 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 132 E 8.22 3.90 0.00 2.00 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 2.38 2.32 0.00 133 K 7.60 3.76 0.00 1.87 2.07 0.00 1.54 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.55 7.81 134 Y 7.80 4.11 0.00 3.18 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 0.00 135 N 8.26 4.02 0.00 2.85 2.85 0.00 0.00 7.10 7.07 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 0.00 136 R 8.13 3.76 0.00 1.90 1.95 0.00 3.09 0.00 0.00 3.13 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 137 I 7.78 3.40 0.65 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 1.26 0.35 0.13 0.00 0.00 138 A 7.43 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.32 4.01 0.00 1.88 1.95 0.00 3.09 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 140 E 8.10 3.99 0.00 2.26 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 2.38 2.58 0.00 141 W 8.71 4.29 0.00 3.65 3.69 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 0.00 0.00 0.00 142 T 8.43 4.24 4.51 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 1.43 0.00 0.00 143 Q 7.86 4.15 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 144 K 8.20 3.79 0.00 1.24 1.07 0.00 0.61 0.00 0.00 1.00 0.00 0.00 2.77 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.30 0.89 7.81 145 Y 7.61 4.58 0.00 3.08 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 0.00 146 A 8.03 3.68 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.34 4.11 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.39 0.00