NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2736 8.3349 115.3752 57.2613 65.5536 173.9383 3 H 3.8720 7.8272 116.5212 55.6041 25.9489 174.0541 4 P 4.3610 0.0000 0.0000 65.9788 33.1181 179.0068 5 D 4.3358 8.0232 117.5739 57.0171 40.7833 178.5329 6 L 3.9138 7.8820 120.4740 58.4402 42.3187 178.3400 7 N 4.2569 7.7467 114.9661 56.5417 38.4404 177.2676 8 K 3.9658 7.6155 120.2267 59.2673 32.2567 178.5247 9 L 4.0210 7.9149 120.6154 58.4222 41.8053 178.9989 10 L 4.0500 7.8518 117.3807 57.7917 41.5634 178.8910 11 E 4.1464 7.8574 118.1464 59.1870 30.0419 178.4126 12 L 4.2885 8.3040 118.8048 56.6952 41.7748 178.6868 13 W 4.2710 8.5790 128.9435 60.3778 30.4557 176.1019 14 P 3.9805 0.0000 0.0000 65.9690 30.7399 178.2179 15 H 4.1981 8.1657 114.5196 58.3929 28.6095 177.9837 16 I 3.5324 7.2895 121.3353 64.2488 37.0187 177.9666 17 Q 3.5377 7.8300 121.0436 59.0852 28.9227 177.9240 18 E 4.3411 8.1895 121.7818 58.8603 29.5810 178.2140 19 Y 4.0198 7.9801 119.8043 60.4791 38.8493 177.4631 20 Q 3.7573 8.0552 120.6865 59.0627 29.0016 177.9015 21 D 4.2543 8.0921 120.0274 57.1213 40.6159 178.3499 22 L 3.8173 7.3825 119.0726 58.1004 42.3450 178.6031 23 A 3.9681 7.5802 120.4839 55.0655 18.2549 179.4038 24 L 3.9684 7.6909 117.4062 58.1091 41.4812 179.8745 25 K 3.8602 7.5441 116.8616 59.0305 31.9120 177.2674 26 H 4.7198 7.8276 114.6594 55.4439 28.8887 174.9865 27 G 3.8063 8.0252 105.9722 46.8703 0.0000 174.7716 28 I 4.3771 7.5923 120.2596 58.9696 38.8963 175.5725 29 N 4.3603 8.7483 124.1562 55.4742 38.9909 175.1046 30 D 4.4752 7.7298 117.3352 52.1115 42.8850 175.4586 31 I 3.6033 8.3793 121.7608 63.2881 37.5177 176.6322 32 F 5.1666 7.9579 119.3312 57.4056 39.3625 175.4718 33 Q 4.4748 8.0017 118.2458 55.8111 32.7859 175.5020 34 D 4.4017 9.5526 119.6475 56.0666 38.4704 173.5421 35 N 4.1759 8.0597 111.3365 53.9571 37.0298 177.6162 36 G 3.7927 8.8122 107.2205 48.0837 0.0000 175.4176 37 G 3.9670 7.9759 104.9277 45.8399 0.0000 175.1692 38 K 4.1885 7.5600 120.5571 58.8485 32.7582 178.2954 39 L 4.1644 7.8928 121.7947 57.3663 41.7337 178.9980 40 L 3.8523 7.5358 119.3694 58.0314 42.0102 178.6771 41 Q 3.9728 8.0860 118.0467 59.1670 28.7049 179.2691 42 V 3.4786 7.7946 118.4487 66.0070 31.5635 177.9350 43 L 3.9164 7.9046 118.7014 57.5778 41.2203 179.5419 44 L 3.8501 7.9377 118.3801 57.7145 41.7077 179.2522 45 I 3.7551 7.4254 118.4034 64.7222 37.1277 177.6121 46 T 3.8321 7.6272 112.9630 62.8949 67.3440 175.6234 47 G 3.8703 8.3713 108.2164 45.1937 0.0000 173.2701 48 L 4.4321 7.3813 118.6181 54.6474 43.1094 176.1420 49 T 4.7227 8.8519 117.7754 61.5986 71.2103 174.1946 50 V 4.2754 8.3773 126.4147 61.5325 32.4121 175.5450 51 L 4.5394 9.0224 126.3740 52.7202 42.6981 175.0928 52 P 4.2725 0.0000 0.0000 62.3565 31.4914 176.2175 53 G 4.1058 8.7859 106.6097 48.8809 0.0000 173.8444 54 R 4.1843 7.6761 124.5924 56.5301 31.1064 177.1397 55 E 3.6308 9.2564 119.4032 55.9213 27.3351 175.8479 56 G 3.8876 7.5113 106.0400 45.5985 0.0000 174.3301 57 N 4.3400 8.4786 114.6033 52.9127 40.5384 174.7406 58 D 4.6116 8.7006 120.0040 56.5121 42.3984 176.1132 59 A 5.2390 7.7267 117.8764 50.4630 23.6170 174.5712 60 V 5.6357 8.9035 116.8694 61.1353 35.0144 174.2085 61 D 5.0720 8.4804 120.7154 52.0157 41.7760 176.1365 62 N 4.4347 8.7269 114.4793 56.2383 38.8123 176.0805 63 A 4.0809 8.0696 119.1994 53.1905 18.7628 178.0825 64 G 3.8651 8.0031 103.3209 44.7663 0.0000 173.2204 65 Q 4.1194 8.6711 122.6299 55.4403 29.6330 175.0454 66 E 4.8860 8.5734 126.4218 56.3196 30.9067 175.4756 67 Y 4.9290 9.6212 120.3514 56.3659 43.1700 174.0099 68 E 4.4520 8.5546 120.1785 54.5475 31.4420 174.9609 69 L 4.7956 9.6770 128.4685 53.1896 43.6808 175.6600 70 K 4.7835 8.4396 125.3121 54.7599 35.7063 175.5053 71 S 6.1001 9.0554 118.1921 56.2266 67.2625 173.0802 72 I 4.5384 8.2882 113.4852 59.9799 41.1158 173.3025 73 N 5.2932 8.6623 122.6321 52.1022 39.0098 174.8327 74 I 3.7213 9.1316 128.5926 64.0022 37.9880 176.9680 75 D 4.5056 8.3064 120.9057 56.9264 41.1007 176.6086 76 L 3.9840 7.7072 118.4477 56.4567 41.2534 178.5519 77 T 4.2696 8.0216 118.0105 62.3220 69.1932 173.8459 78 K 4.6535 8.3543 117.8607 55.5980 35.2933 176.2178 79 G 4.4312 7.8772 107.1586 44.8102 0.0000 173.4577 80 F 4.5734 9.5247 124.5409 57.5415 40.2141 175.8411 81 S 4.5955 8.8817 119.7002 58.9782 63.6416 172.4578 82 T 4.7237 9.5073 109.3689 62.0022 71.1107 173.2543 83 H 4.8781 7.6469 116.5399 54.3140 33.7441 174.6801 84 H 4.3328 8.7947 123.4739 58.2969 29.0771 175.2365 85 H 5.1989 7.1580 116.0384 54.3960 28.6618 174.1815 86 M 4.0639 7.4590 118.0520 56.7949 33.4415 175.0049 87 N 4.3775 8.3723 119.9241 50.2754 40.1565 173.2982 88 P 3.9528 0.0000 0.0000 65.7469 31.0882 179.1451 89 V 3.4609 7.3373 116.4699 65.7658 31.5681 178.0404 90 I 3.4284 8.2829 119.9199 64.4031 36.9448 178.4276 91 I 3.5209 7.8249 120.7212 64.2120 36.6164 178.3869 92 A 3.9177 7.5044 120.8869 54.9104 18.2270 179.3205 93 K 3.9973 7.7849 117.0235 59.9677 32.2933 179.0603 94 Y 4.6147 7.9938 116.6687 61.4428 37.6543 178.9552 95 R 4.0195 7.6484 117.2414 59.1444 30.1310 178.7816 96 Q 4.2162 7.6857 115.9621 57.1597 28.9238 176.4440 97 V 4.5631 7.1109 110.9033 58.4335 35.6766 173.3554 98 P 4.9344 0.0000 0.0000 62.6990 33.0865 174.8039 99 W 5.2323 9.2794 120.9395 55.2388 32.1058 174.8394 100 I 4.8334 8.8041 124.8302 59.7553 39.2180 174.6081 101 F 4.7924 9.7138 125.8529 55.6781 41.3805 174.3722 102 A 4.7500 9.2893 127.6629 50.6349 20.5829 175.8125 103 I 4.4475 8.4935 124.8063 60.4149 38.7427 174.7754 104 Y 5.0156 9.1693 125.8780 56.9169 40.2607 175.2956 105 R 4.5984 9.4598 122.9600 53.9385 31.1089 175.2855 106 G 4.2050 9.4234 116.5823 45.1672 0.0000 172.3409 107 I 4.1000 8.3355 118.1415 60.2812 38.2082 175.2137 108 A 5.0920 7.4195 124.3114 50.2367 21.3066 176.4975 109 I 4.2479 8.8125 123.1755 61.7644 37.8895 175.3506 110 E 4.7701 8.9092 122.3859 57.6676 31.8820 175.8055 111 A 4.9854 7.7323 117.9671 51.0545 23.0528 175.1746 112 I 5.1393 8.9142 120.2006 59.8988 41.2624 174.4348 113 Y 5.3113 9.1735 123.4288 56.1611 42.4028 174.4490 114 R 5.3332 9.0522 120.4968 54.7962 33.7760 173.8861 115 L 5.2773 9.3861 125.5900 53.1217 45.1723 175.4351 116 E 4.9132 9.3662 122.0741 54.6083 31.4955 175.4606 117 P 4.3393 0.0000 0.0000 66.1704 30.9306 178.5954 118 K 3.8803 8.2918 117.5289 59.8524 31.7329 178.0726 119 D 4.5149 8.9142 118.7906 55.8960 41.1330 177.4346 120 L 4.3560 7.7676 117.9757 53.8840 42.4870 177.4173 121 E 3.9854 7.5026 120.1156 59.5649 29.4609 178.4074 122 F 3.9452 8.0992 119.7211 61.7260 39.4483 176.5803 123 Y 3.0564 7.1302 115.3843 60.2258 37.5077 177.4845 124 Y 4.4137 7.0544 117.7160 61.2274 38.0114 177.9594 125 D 4.3965 7.8183 119.2861 57.5206 41.1016 178.7737 126 K 3.6465 7.1048 118.3125 59.4355 31.9757 178.7418 127 W 4.4468 7.8971 118.5995 59.8532 28.9704 177.7881 128 E 4.0120 8.6284 119.5306 59.7834 28.9766 179.1366 129 R 4.1803 8.3434 117.7719 59.4284 29.7628 179.0649 130 K 4.0553 8.1272 118.8689 59.1045 32.2968 178.5362 131 W 4.2196 8.9130 129.2457 60.6917 30.3971 177.4138 132 Y 4.1881 8.0630 116.9874 60.7105 37.4744 177.7829 133 S 4.2118 8.3030 113.1315 60.4225 63.1087 174.5126 134 D 4.5998 7.6209 118.9485 53.6813 41.2925 176.2461 135 G 3.5465 8.7939 107.1070 47.6797 0.0000 174.4752 136 H 2.0000 7.3397 112.2161 56.1803 26.5089 175.3857 137 K 4.3027 6.4899 118.2533 54.1440 34.7304 176.1679 138 D 5.3841 8.5726 126.9733 53.8682 41.2712 176.2183 139 I 3.7270 8.5324 125.7975 61.2266 38.2818 175.0438 140 N 5.0017 8.9578 126.3242 52.7901 38.6879 174.5890 141 N 4.4008 8.4540 126.2739 52.6466 37.1476 171.9224 142 P 4.5168 0.0000 0.0000 62.9881 32.6987 177.3960 143 K 5.0220 8.6801 119.7703 54.8745 35.9134 175.3534 144 I 4.2242 8.5027 122.3125 58.4791 39.6932 174.0263 145 P 4.7538 0.0000 0.0000 62.7151 31.7724 177.3925 146 V 3.8556 8.8199 122.0559 66.3606 31.2730 178.4312 147 K 3.9406 8.1197 117.6927 59.4197 31.7882 178.3974 148 Y 3.8491 8.1789 119.8603 60.9129 38.8976 178.4527 149 V 3.2889 7.7714 112.6367 64.3211 31.2144 178.4434 150 M 3.0787 7.2032 117.5992 57.9463 31.9850 178.2331 151 E 3.8928 7.7450 117.5361 58.7610 29.6698 177.5665 152 H 4.5114 7.9635 113.6366 55.2957 29.9754 174.5545 153 G 4.2762 7.4057 106.5389 44.5485 0.0000 173.6734 154 T 4.4372 8.5602 118.8315 62.3704 69.6588 174.2320 155 K 4.0528 8.8666 129.3706 56.5149 32.0620 176.3221 156 I 4.2435 8.7416 121.8830 61.6671 39.2799 175.3901 157 Y 4.1487 7.3448 128.9305 57.9505 38.6613 173.8592 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 S 8.33 4.27 0.00 3.96 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 3 H 7.83 3.87 0.00 3.44 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.36 0.00 2.17 2.07 0.00 3.58 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 5 D 8.02 4.34 0.00 2.69 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 6 L 7.88 3.91 0.00 1.75 1.67 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 7 N 7.75 4.26 0.00 2.99 2.90 0.00 0.00 6.75 6.78 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 8 K 7.62 3.97 0.00 2.01 2.01 0.00 1.78 0.00 0.00 1.59 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.51 7.81 9 L 7.91 4.02 0.00 1.83 1.89 1.01 0.36 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 10 L 7.85 4.05 0.00 1.88 1.77 0.89 0.85 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 11 E 7.86 4.15 0.00 2.02 2.14 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 2.36 2.39 0.00 12 L 8.30 4.29 0.00 1.85 1.75 0.95 0.64 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 13 W 8.58 4.27 0.00 3.65 3.21 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 14 P 0.00 3.98 0.00 2.09 2.07 0.00 3.89 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 15 H 8.17 4.20 0.00 3.32 3.33 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.29 3.53 1.31 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.53 0.39 0.00 0.00 17 Q 7.83 3.54 0.00 1.61 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 18 E 8.19 4.34 0.00 2.18 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 2.29 2.14 0.00 19 Y 7.98 4.02 0.00 3.17 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 20 Q 8.06 3.76 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 21 D 8.09 4.25 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.38 3.82 0.00 1.66 1.63 0.90 1.07 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 23 A 7.58 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 24 L 7.69 3.97 0.00 1.84 1.68 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.54 3.86 0.00 1.67 1.66 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.55 7.81 26 H 7.83 4.72 0.00 3.19 3.24 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.03 3.81 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 0.00 0.00 0.00 28 I 7.59 4.38 1.89 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 1.37 0.85 0.84 0.00 0.00 29 N 8.75 4.36 0.00 2.68 2.86 0.00 0.00 6.84 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 30 D 7.73 4.48 0.00 2.61 2.48 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 31 I 8.38 3.60 1.69 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 -0.36 0.71 0.00 0.00 32 F 7.96 5.17 0.00 3.25 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 33 Q 8.00 4.47 0.00 2.28 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.36 6.24 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 34 D 9.55 4.40 0.00 2.74 2.86 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 35 N 8.06 4.18 0.00 2.85 2.72 0.00 0.00 6.85 7.58 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 36 G 8.81 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 37 G 7.98 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 0.00 0.00 0.00 38 K 7.56 4.19 0.00 1.58 0.74 0.00 1.49 0.00 0.00 0.91 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.12 1.28 7.81 39 L 7.89 4.16 0.00 1.79 1.69 0.93 0.26 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 40 L 7.54 3.85 0.00 1.89 1.58 0.73 -0.05 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 41 Q 8.09 3.97 0.00 2.40 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.48 2.66 0.00 42 V 7.79 3.48 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 0.99 0.00 0.00 0.90 0.00 0.00 43 L 7.90 3.92 0.00 1.71 1.56 0.89 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.94 3.85 0.00 1.48 1.64 0.85 0.55 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 45 I 7.43 3.76 1.70 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.38 0.64 0.00 0.00 46 T 7.63 3.83 4.37 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 1.11 0.00 0.00 47 G 8.37 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 48 L 7.38 4.43 0.00 1.42 1.58 0.52 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.85 4.72 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 50 V 8.38 4.28 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 0.69 0.00 0.00 0.91 0.00 0.00 51 L 9.02 4.54 0.00 1.58 1.62 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.27 0.00 2.16 2.11 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 53 G 8.79 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.68 4.18 0.00 1.89 1.77 0.00 3.33 0.00 0.00 3.33 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 55 E 9.26 3.63 0.00 2.15 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 2.19 2.22 0.00 56 G 7.51 3.89 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 0.00 0.00 0.00 57 N 8.48 4.34 0.00 2.69 2.95 0.00 0.00 6.85 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 58 D 8.70 4.61 0.00 2.55 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 59 A 7.73 5.24 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 60 V 8.90 5.64 2.12 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 0.57 0.00 0.00 1.03 0.00 0.00 61 D 8.48 5.07 0.00 2.97 2.96 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 62 N 8.73 4.43 0.00 2.75 2.93 0.00 0.00 6.74 7.35 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 63 A 8.07 4.08 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 64 G 8.00 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 0.00 0.00 0.00 65 Q 8.67 4.12 0.00 2.14 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.90 0.00 0.00 0.00 0.00 0.00 2.02 1.32 0.00 66 E 8.57 4.89 0.00 1.86 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 2.30 2.32 0.00 67 Y 9.62 4.93 0.00 2.71 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.55 4.45 0.00 1.16 1.12 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 1.73 1.47 0.00 69 L 9.68 4.80 0.00 1.31 1.42 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.44 4.78 0.00 1.36 1.85 0.00 1.84 0.00 0.00 1.47 0.00 0.00 2.17 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.80 1.68 7.81 71 S 9.06 6.10 0.00 3.91 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 0.00 72 I 8.29 4.54 1.65 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.43 0.39 0.00 0.00 73 N 8.66 5.29 0.00 2.91 2.79 0.00 0.00 6.55 7.72 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 74 I 9.13 3.72 1.92 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 0.82 1.06 0.00 0.00 75 D 8.31 4.51 0.00 2.73 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.71 3.98 0.00 1.62 1.50 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.02 4.27 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 1.13 0.00 0.00 78 K 8.35 4.65 0.00 1.65 1.71 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.37 7.81 79 G 7.88 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 0.00 0.00 0.00 0.00 80 F 9.52 4.57 0.00 3.38 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 81 S 8.88 4.60 0.00 3.84 4.13 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 82 T 9.51 4.72 4.60 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 83 H 7.65 4.88 0.00 3.27 3.12 0.00 5.87 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 84 H 8.79 4.33 0.00 3.02 3.11 0.00 5.61 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 7.16 5.20 0.00 2.89 3.39 0.00 5.73 0.00 0.00 0.00 0.00 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 M 7.46 4.06 0.00 2.09 1.73 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 2.50 2.15 0.00 87 N 8.37 4.38 0.00 2.18 2.86 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 88 P 0.00 3.95 0.00 1.58 1.88 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.46 0.00 89 V 7.34 3.46 2.10 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 0.97 0.00 0.00 0.79 0.00 0.00 90 I 8.28 3.43 1.72 0.00 0.00 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 1.67 0.94 0.27 0.00 0.00 91 I 7.82 3.52 1.93 0.00 0.00 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 1.67 0.92 0.93 0.00 0.00 92 A 7.50 3.92 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 93 K 7.78 4.00 0.00 1.88 1.92 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.42 7.81 94 Y 7.99 4.61 0.00 2.98 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 95 R 7.65 4.02 0.00 1.78 2.03 0.00 3.13 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.78 0.00 96 Q 7.69 4.22 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.70 0.00 0.00 0.00 0.00 0.00 2.73 2.55 0.00 97 V 7.11 4.56 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 0.76 0.00 0.00 0.94 0.00 0.00 98 P 0.00 4.93 0.00 2.35 2.25 0.00 3.56 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 99 W 9.28 5.23 0.00 3.49 2.78 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 0.00 100 I 8.80 4.83 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.88 0.82 0.00 0.00 101 F 9.71 4.79 0.00 2.90 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 0.00 102 A 9.29 4.75 1.02 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 0.00 103 I 8.49 4.45 2.16 0.00 0.00 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 1.59 1.08 1.02 0.00 0.00 104 Y 9.17 5.02 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 0.00 105 R 9.46 4.60 0.00 1.87 1.84 0.00 3.18 0.00 0.00 3.21 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.81 0.00 106 G 9.42 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 0.00 0.00 0.00 0.00 107 I 8.34 4.10 1.85 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 1.35 0.68 0.91 0.00 0.00 108 A 7.42 5.09 1.34 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 0.00 0.00 0.00 109 I 8.81 4.25 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.70 0.64 0.00 0.00 110 E 8.91 4.77 0.00 2.03 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 2.29 2.29 0.00 111 A 7.73 4.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.91 5.14 1.88 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 1.17 0.95 0.89 0.00 0.00 113 Y 9.17 5.31 0.00 2.96 2.86 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 0.00 114 R 9.05 5.33 0.00 1.97 1.83 0.00 3.20 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 115 L 9.39 5.28 0.00 1.84 1.61 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 116 E 9.37 4.91 0.00 2.00 1.91 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 2.47 2.47 0.00 117 P 0.00 4.34 0.00 2.26 2.48 0.00 3.70 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.45 0.00 118 K 8.29 3.88 0.00 1.90 1.86 0.00 1.64 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.63 7.81 119 D 8.91 4.51 0.00 2.80 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 0.00 120 L 7.77 4.36 0.00 1.21 0.39 0.03 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.50 3.99 0.00 2.29 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 2.36 2.43 0.00 122 F 8.10 3.95 0.00 2.98 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 0.00 123 Y 7.13 3.06 0.00 2.11 1.43 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 0.00 124 Y 7.05 4.41 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.40 0.00 2.57 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 0.00 126 K 7.10 3.65 0.00 1.31 1.38 0.00 1.38 0.00 0.00 1.52 0.00 0.00 2.57 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.34 1.25 7.81 127 W 7.90 4.45 0.00 3.84 3.10 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 0.00 128 E 8.63 4.01 0.00 2.31 2.23 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 2.58 2.43 0.00 129 R 8.34 4.18 0.00 2.15 2.05 0.00 3.19 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 130 K 8.13 4.06 0.00 2.08 2.12 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.51 7.81 131 W 8.91 4.22 0.00 3.31 3.11 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 0.00 0.00 0.00 132 Y 8.06 4.19 0.00 3.32 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.30 4.21 0.00 4.02 4.09 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 0.00 134 D 7.62 4.60 0.00 2.69 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 0.00 135 G 8.79 3.55 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 0.00 136 H 7.34 2.00 0.00 2.90 2.79 0.00 5.85 0.00 0.00 0.00 0.00 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 6.49 4.30 0.00 1.58 1.54 0.00 1.88 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.24 1.43 7.81 138 D 8.57 5.38 0.00 2.65 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 0.00 139 I 8.53 3.73 1.78 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.86 0.84 0.00 0.00 140 N 8.96 5.00 0.00 2.71 2.77 0.00 0.00 7.52 7.79 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 0.00 141 N 8.45 4.40 0.00 2.37 2.75 0.00 0.00 7.37 7.69 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 0.00 142 P 0.00 4.52 0.00 2.03 1.88 0.00 3.66 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.01 0.00 143 K 8.68 5.02 0.00 1.71 1.94 0.00 1.74 0.00 0.00 1.99 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.48 7.81 144 I 8.50 4.22 1.91 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 0.83 0.86 0.22 0.00 0.00 145 P 0.00 4.75 0.00 2.31 2.28 0.00 3.49 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.14 0.00 146 V 8.82 3.86 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 1.14 0.00 0.00 0.89 0.00 0.00 147 K 8.12 3.94 0.00 1.93 1.85 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.57 7.81 148 Y 8.18 3.85 0.00 3.07 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 0.00 149 V 7.77 3.29 1.07 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 0.23 0.00 0.00 0.60 0.00 0.00 150 M 7.20 3.08 0.00 1.67 2.01 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 1.98 0.00 151 E 7.75 3.89 0.00 1.68 1.54 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 2.17 2.34 0.00 152 H 7.96 4.51 0.00 2.65 3.02 0.00 5.62 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 G 7.41 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 0.00 0.00 0.00 0.00 154 T 8.56 4.44 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 1.25 0.00 0.00 155 K 8.87 4.05 0.00 1.68 1.66 0.00 1.35 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.21 1.10 7.81 156 I 8.74 4.24 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.77 0.96 0.00 0.00 157 Y 7.34 4.15 0.00 2.94 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