NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9174 8.3016 109.1151 45.0729 0.0000 173.9709 4 D 4.2374 8.4086 123.8457 53.0415 42.9454 175.5529 5 K 3.9615 9.4555 128.4600 59.3749 32.6968 178.6008 6 K 4.1684 8.0493 118.3633 58.7335 32.2478 178.9598 7 V 3.6611 8.1542 118.7098 66.4013 31.3068 178.0652 8 I 3.7575 7.8686 119.1733 64.5871 36.8119 178.5241 9 Q 3.9478 7.8708 118.2820 59.2481 28.5728 178.3609 10 H 4.1371 8.5495 117.6424 58.9253 28.6526 177.8922 11 L 4.1141 8.5969 121.0814 57.9069 41.3895 179.3685 12 N 4.3699 8.5462 116.8279 55.8112 38.4149 177.5037 13 K 3.9019 8.2664 121.4904 59.5047 32.3377 178.6965 14 I 3.6594 8.1703 120.5123 64.4393 37.0069 177.8097 15 L 4.0312 8.2770 121.3977 58.4191 41.9212 179.2723 16 G 3.6360 8.2525 105.3936 47.9973 0.0000 175.3903 17 N 4.3958 8.1567 118.7039 56.0344 38.5643 177.3108 18 E 3.9546 8.3295 120.0971 59.5479 29.1675 179.5092 19 L 4.1911 8.1493 118.9528 57.5009 41.5938 179.7408 20 I 3.6561 7.5979 119.3857 64.2398 36.9870 178.2857 21 A 3.3674 7.7970 121.6221 54.7678 18.1257 179.3185 22 I 3.5791 8.0147 118.6973 65.0750 37.2831 178.3676 23 N 4.3857 7.7580 116.2778 56.2102 38.3211 177.4742 24 Q 3.8691 8.0316 121.0272 59.4492 29.0872 177.9203 25 Y 4.7468 7.9718 119.4591 60.5848 37.8755 178.2317 26 F 4.0170 8.3865 121.8490 61.0561 39.4899 177.0729 27 L 4.0082 8.2122 120.1109 58.4048 41.8334 178.4995 28 H 3.8095 8.3128 116.3368 58.7481 28.5547 177.4133 29 S 4.2720 8.3475 115.0689 61.8758 62.2083 176.6855 30 R 3.8260 7.8828 120.2773 59.1685 29.6946 179.2011 31 M 3.4541 7.8174 118.7951 57.7745 31.7681 178.5654 32 W 4.5577 7.7679 119.2471 60.0692 29.2517 178.3034 33 N 4.3642 8.3748 116.3246 56.4009 37.7503 176.8746 34 D 4.3655 7.9032 118.4052 57.0716 41.3782 177.6960 35 W 4.8744 7.8930 116.6832 56.8922 29.0724 177.1696 36 G 4.0021 8.1669 108.0033 46.0139 0.0000 174.1047 37 L 4.8275 8.1310 122.6380 53.4093 40.3244 177.4273 38 K 4.1014 8.5931 121.8689 58.8189 32.4249 178.9121 39 R 3.8946 7.9577 119.4466 59.2220 29.9257 178.4762 40 L 3.8502 7.7960 118.4801 57.7047 41.4930 179.5349 41 G 3.7883 8.3015 105.4184 47.7876 0.0000 175.6447 42 A 4.0056 8.1370 123.1079 55.2207 18.5764 179.1586 43 H 3.9677 8.2796 116.8594 59.4576 29.7197 177.1252 44 E 4.0235 8.6518 121.3041 59.1273 29.4570 177.9528 45 Y 4.0958 8.2728 119.9490 61.2097 38.7641 178.0996 46 H 4.0141 8.2033 116.8123 58.5606 28.7058 177.7446 47 E 3.8429 7.9881 120.4776 59.2589 29.2519 179.1506 48 S 4.2881 8.2064 113.1928 61.6483 62.5108 176.3625 49 I 3.6268 7.6803 122.4687 64.3588 36.7421 178.1426 50 D 4.2884 8.2516 119.9322 57.3964 40.5296 178.7455 51 E 4.1700 8.3239 119.1373 59.5190 29.4606 179.0617 52 M 3.9939 8.1177 118.8190 58.5904 32.1761 179.0537 53 K 4.0149 8.0703 118.3694 59.5722 32.1671 179.2046 54 H 4.2536 8.1145 116.4158 58.7556 28.5673 177.3851 55 A 3.9885 8.2143 122.7962 55.3254 18.1571 178.9349 56 D 4.2818 8.1018 116.2040 57.7181 41.3896 178.7518 57 K 3.9796 7.9075 118.2395 59.4575 31.9358 179.4294 58 L 4.0040 7.9989 119.1371 57.8163 41.5901 179.3394 59 I 3.7029 8.0441 120.1279 64.6708 37.1007 178.3001 60 E 3.9975 8.2260 119.1430 59.3374 29.1848 179.5175 61 R 4.0095 7.9845 118.4252 59.4734 30.1531 178.4548 62 I 3.7167 8.0512 119.9238 64.6199 37.0384 178.3988 63 L 3.9904 8.1291 119.6549 57.7142 41.1701 179.4122 64 F 4.3215 8.1276 119.8573 61.1962 39.8392 176.5195 65 L 3.8636 8.2712 116.6281 54.4424 41.4386 176.7760 66 E 3.6427 7.7659 117.4433 57.5720 26.7987 174.4732 67 G 3.9339 8.0079 107.7460 44.0817 0.0000 173.5349 68 L 4.5434 8.0098 118.9660 52.0274 42.3759 175.2169 69 P 4.3538 0.0000 0.0000 62.4577 31.7611 176.2928 70 N 4.5970 9.3163 122.8651 52.7422 37.7273 173.9023 71 L 4.5644 8.2307 123.6188 54.4408 42.1069 177.4376 72 Q 4.2020 8.5661 122.4423 57.2908 29.6137 175.6418 73 D 4.6213 8.0734 117.6214 52.7486 41.8059 175.5020 74 L 4.4851 8.2550 125.5018 52.6710 43.3382 176.2805 75 G 3.8151 8.3175 116.2897 44.9572 0.0000 170.4080 76 K 4.1707 8.3412 120.7400 55.3584 32.6266 177.0171 77 L 4.1057 8.4153 126.9573 54.7497 42.1051 177.4478 78 L 4.4217 8.6293 124.9066 53.4246 40.4310 174.5604 79 I 4.1823 7.9376 122.8945 59.8817 38.1730 176.5594 80 G 4.0572 8.6724 114.8270 44.5330 0.0000 172.7141 81 E 4.7641 8.8515 114.7343 55.4093 30.5902 175.3503 82 N 5.1701 7.7091 116.8961 50.8275 41.9196 174.9202 83 T 4.4769 8.6390 116.1524 67.1938 68.5781 176.6647 84 Q 4.0266 8.2045 118.9597 59.5916 28.4987 178.3960 85 E 4.0500 8.7615 120.4170 59.1828 29.4485 179.2428 86 M 3.9693 8.4448 119.2429 58.2002 31.9223 178.7594 87 L 4.1728 8.3661 119.3060 57.9910 41.7792 179.3877 88 Q 3.9837 8.3014 119.4936 59.2736 28.8805 177.8613 89 C 4.1496 8.8624 118.2012 63.1039 28.2429 175.8589 90 D 4.6315 8.3164 120.3229 57.3244 40.4443 178.5884 91 L 3.9821 8.1938 120.8369 58.2955 42.2427 178.8000 92 N 4.3580 8.5259 116.6939 56.2444 38.4241 177.0437 93 L 4.0066 8.2920 121.9755 58.4124 42.1672 178.9892 94 E 4.0554 8.4465 118.4240 59.3078 29.4967 179.2345 95 L 4.0178 8.1031 119.1659 57.5739 41.7131 179.4988 96 K 3.9247 8.0456 118.9057 59.5864 32.2421 178.7686 97 A 4.0575 8.2093 121.1719 55.4277 18.1364 179.7990 98 T 3.9222 7.9860 114.4208 66.3684 68.7221 176.8635 99 K 3.8580 7.9016 121.1732 59.9432 32.1791 178.5770 100 D 4.4283 8.1006 118.7790 57.1763 40.6175 178.8297 101 L 3.9986 8.0964 119.6563 57.7791 41.5862 179.5520 102 R 3.9218 8.2275 118.2233 59.5236 30.1359 178.9966 103 E 3.9482 8.1764 117.6393 59.2884 29.3178 179.3430 104 A 3.6872 8.0378 120.9759 54.8017 18.4306 179.7476 105 I 3.5912 7.9845 118.5541 64.5014 37.3103 178.3885 106 V 3.5519 7.8395 119.2856 66.5852 31.2560 177.5399 107 H 4.0401 7.9681 116.8861 59.5071 29.7556 176.8439 108 C 3.9774 8.2243 118.7156 62.8330 27.9757 175.7680 109 E 3.9167 8.1627 120.7943 59.3910 29.0037 178.7510 110 Q 3.9583 7.6038 118.0563 58.4135 29.1638 177.4612 111 V 3.9008 7.1262 110.4080 60.4632 31.8720 175.5753 112 H 2.8970 7.3200 114.3122 57.0267 26.8438 176.3292 113 D 4.5231 7.3835 120.1115 53.4082 38.0280 175.6072 114 Y 4.3217 7.4458 121.3692 60.6205 38.4426 177.9261 115 V 3.7068 7.8751 119.0246 66.0151 31.7633 178.1248 116 S 4.1827 8.7446 115.2889 61.3789 62.5169 176.6633 117 R 3.8889 7.9022 121.3990 59.4851 29.8955 178.1166 118 D 4.3203 8.1973 117.8853 57.1670 41.2102 177.8071 119 L 3.9527 8.0879 120.8938 58.3031 42.0680 179.0680 120 L 4.0044 8.0191 118.8784 57.4865 41.4414 179.2576 121 K 3.9123 8.3993 120.0100 59.7709 31.9950 178.5661 122 D 4.3551 8.1005 119.0082 57.3701 40.7043 178.8528 123 I 3.5193 7.7558 120.3858 64.1498 37.0786 178.0163 124 L 3.9438 8.3112 121.6319 58.2815 41.8471 178.7073 125 E 3.9377 8.4718 119.3283 59.4146 29.6053 178.7745 126 S 4.1603 7.9196 113.2770 61.3802 62.3564 175.9844 127 E 4.1607 8.2558 121.4907 59.2398 29.2186 179.0241 128 E 4.0533 8.4566 118.8538 59.3005 29.3917 179.1329 129 E 4.0255 8.4134 118.7729 59.6759 29.4700 178.8028 130 H 4.2983 8.2950 118.1754 59.4584 29.8820 177.2104 131 I 3.6882 8.2258 121.9676 64.3784 36.9220 177.6645 132 D 4.3457 8.5802 119.1826 57.6442 40.9876 177.7020 133 Y 4.1246 8.3386 119.9676 60.7726 38.8194 178.1384 134 L 3.7991 8.3222 119.8793 58.0096 41.8821 179.5311 135 E 3.9780 8.3634 118.4040 59.4091 29.3390 179.6690 136 T 3.8098 7.7367 116.1097 66.5380 68.4212 176.6920 137 Q 3.7488 7.8021 120.0294 58.9820 28.3518 178.8692 138 L 3.8340 7.8013 119.9529 57.7403 41.6016 179.9311 139 G 3.6077 7.8958 105.4538 47.7515 0.0000 175.8374 140 L 4.0506 7.6731 121.2275 57.3280 41.6644 179.2782 141 I 3.5312 7.5038 120.1171 64.7642 36.8024 178.4250 142 Q 4.0024 7.4126 116.0413 58.6897 28.6019 178.4405 143 K 4.1592 7.9234 118.8145 58.5259 32.3521 178.8402 144 V 4.2374 8.3852 110.2851 59.9015 33.0747 177.2336 145 G 4.0774 7.5657 104.4350 45.5748 0.0000 174.4278 146 L 3.9700 8.4991 121.4665 58.0947 42.0794 179.3219 147 E 3.9708 8.1304 117.9241 59.5665 29.5219 178.9364 148 N 4.3072 8.1352 115.9655 56.5053 38.4470 176.6431 149 Y 4.0163 8.2118 120.2140 60.7238 39.1764 177.8597 150 L 4.0855 8.2914 120.0363 57.4758 41.8021 179.0249 151 Q 3.9236 8.2790 119.8526 59.3445 28.8310 178.3105 152 S 4.3027 7.8826 113.2648 60.1123 63.0590 174.4368 153 H 4.5812 7.6114 118.5875 55.6893 29.5446 176.2701 154 M 4.1669 7.8836 120.8816 57.7974 31.9745 176.1209 155 H 5.1411 7.5680 113.7817 53.9670 30.7531 174.9281 156 E 4.1382 8.6419 121.0050 56.7999 29.3269 176.8907 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 G 8.30 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 4 D 8.41 4.24 0.00 2.86 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 5 K 9.46 3.96 0.00 1.94 1.77 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.50 1.10 7.81 6 K 8.05 4.17 0.00 2.06 1.61 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.46 7.81 7 V 8.15 3.66 2.25 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 1.09 0.00 0.00 1.02 0.00 0.00 8 I 7.87 3.76 2.03 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 1.51 0.64 0.90 0.00 0.00 9 Q 7.87 3.95 0.00 2.20 2.06 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 2.34 2.56 0.00 10 H 8.55 4.14 0.00 3.30 3.33 0.00 5.62 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 11 L 8.60 4.11 0.00 1.80 1.74 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.55 4.37 0.00 2.85 2.85 0.00 0.00 6.64 8.47 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 13 K 8.27 3.90 0.00 1.84 1.96 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.17 3.66 2.01 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 1.72 0.78 0.92 0.00 0.00 15 L 8.28 4.03 0.00 1.81 1.94 0.92 1.06 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 16 G 8.25 3.64 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 0.00 0.00 0.00 17 N 8.16 4.40 0.00 2.93 2.87 0.00 0.00 6.99 7.80 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 18 E 8.33 3.95 0.00 2.15 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 2.55 2.53 0.00 19 L 8.15 4.19 0.00 1.65 1.67 0.90 0.75 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 20 I 7.60 3.66 1.94 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 1.41 0.95 0.89 0.00 0.00 21 A 7.80 3.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.01 3.58 1.95 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 1.53 0.91 0.86 0.00 0.00 23 N 7.76 4.39 0.00 2.76 2.83 0.00 0.00 6.77 7.33 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 24 Q 8.03 3.87 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.24 0.00 25 Y 7.97 4.75 0.00 3.04 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 26 F 8.39 4.02 0.00 3.29 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 27 L 8.21 4.01 0.00 1.83 1.58 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.31 3.81 0.00 3.49 2.93 0.00 5.70 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 29 S 8.35 4.27 0.00 3.99 3.84 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 30 R 7.88 3.83 0.00 1.86 1.89 0.00 2.96 0.00 0.00 2.62 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 31 M 7.82 3.45 0.00 0.83 1.51 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.18 0.00 32 W 7.77 4.56 0.00 3.67 3.31 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 33 N 8.37 4.36 0.00 2.88 2.85 0.00 0.00 6.70 7.60 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 34 D 7.90 4.37 0.00 2.59 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 35 W 7.89 4.87 0.00 3.77 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 36 G 8.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.13 4.83 0.00 1.92 1.59 1.33 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.59 4.10 0.00 2.01 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.48 7.81 39 R 7.96 3.89 0.00 2.04 1.92 0.00 3.14 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 40 L 7.80 3.85 0.00 1.21 0.13 0.23 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.30 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 42 A 8.14 4.01 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 43 H 8.28 3.97 0.00 3.35 3.29 0.00 5.78 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 44 E 8.65 4.02 0.00 2.59 2.21 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 2.73 2.60 0.00 45 Y 8.27 4.10 0.00 2.98 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 46 H 8.20 4.01 0.00 3.32 3.26 0.00 5.87 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 47 E 7.99 3.84 0.00 1.99 1.72 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 2.25 2.10 0.00 48 S 8.21 4.29 0.00 4.20 4.08 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 0.00 0.00 0.00 0.00 49 I 7.68 3.63 1.78 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.28 0.82 0.00 0.00 50 D 8.25 4.29 0.00 2.83 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.32 4.17 0.00 2.16 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 2.74 2.61 0.00 52 M 8.12 3.99 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.55 0.00 53 K 8.07 4.01 0.00 1.84 1.81 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.57 7.81 54 H 8.11 4.25 0.00 3.37 3.34 0.00 5.66 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 55 A 8.21 3.99 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 0.00 0.00 0.00 0.00 0.00 56 D 8.10 4.28 0.00 2.91 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 57 K 7.91 3.98 0.00 2.14 1.87 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.55 7.81 58 L 8.00 4.00 0.00 1.92 1.73 0.99 0.79 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 59 I 8.04 3.70 2.04 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 1.52 0.79 0.92 0.00 0.00 60 E 8.23 4.00 0.00 2.16 2.01 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 2.34 2.54 0.00 61 R 7.98 4.01 0.00 2.10 2.13 0.00 3.32 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 62 I 8.05 3.72 2.05 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 1.54 0.58 0.92 0.00 0.00 63 L 8.13 3.99 0.00 2.07 1.78 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.13 4.32 0.00 2.95 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 3.86 0.00 1.68 1.59 1.00 0.86 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 66 E 7.77 3.64 0.00 2.00 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 2.17 2.16 0.00 67 G 8.01 3.93 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 0.00 0.00 0.00 68 L 8.01 4.54 0.00 1.62 1.61 0.91 0.99 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 69 P 0.00 4.35 0.00 2.04 1.99 0.00 3.66 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 2.03 2.08 0.00 70 N 9.32 4.60 0.00 2.62 2.82 0.00 0.00 7.15 7.75 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 71 L 8.23 4.56 0.00 1.63 1.63 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.57 4.20 0.00 1.95 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 73 D 8.07 4.62 0.00 2.68 2.57 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 0.00 0.00 0.00 0.00 74 L 8.25 4.49 0.00 1.50 1.52 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.32 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 76 K 8.34 4.17 0.00 1.72 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.45 7.81 77 L 8.42 4.11 0.00 1.63 1.56 0.87 0.99 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 78 L 8.63 4.42 0.00 1.79 1.67 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.94 4.18 1.88 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 1.33 0.75 0.91 0.00 0.00 80 G 8.67 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.85 4.76 0.00 2.17 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 0.00 2.45 2.24 0.00 82 N 7.71 5.17 0.00 2.93 2.88 0.00 0.00 6.22 7.22 0.00 0.00 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 T 8.64 4.48 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 84 Q 8.20 4.03 0.00 2.24 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.91 0.00 0.00 0.00 0.00 0.00 2.68 2.41 0.00 85 E 8.76 4.05 0.00 2.20 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 0.00 2.36 2.73 0.00 86 M 8.44 3.97 0.00 1.43 2.28 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 1.97 0.00 87 L 8.37 4.17 0.00 1.91 1.74 0.83 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.30 3.98 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.86 4.15 0.00 3.27 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 90 D 8.32 4.63 0.00 2.99 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 91 L 8.19 3.98 0.00 1.85 1.88 0.93 0.53 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 92 N 8.53 4.36 0.00 2.94 2.88 0.00 0.00 6.70 6.75 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 93 L 8.29 4.01 0.00 1.95 1.95 0.93 1.15 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 94 E 8.45 4.06 0.00 2.23 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 0.00 2.64 2.51 0.00 95 L 8.10 4.02 0.00 1.88 1.74 0.94 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.05 3.92 0.00 1.92 2.02 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.51 7.81 97 A 8.21 4.06 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 0.00 0.00 0.00 0.00 0.00 98 T 7.99 3.92 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 1.30 0.00 0.00 99 K 7.90 3.86 0.00 1.87 2.03 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 D 8.10 4.43 0.00 2.93 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 0.00 101 L 8.10 4.00 0.00 1.88 1.72 0.93 0.76 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 0.00 102 R 8.23 3.92 0.00 1.99 2.00 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 103 E 8.18 3.95 0.00 2.22 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 0.00 2.35 2.47 0.00 104 A 8.04 3.69 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 0.00 105 I 7.98 3.59 2.01 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 1.42 0.71 0.93 0.00 0.00 106 V 7.84 3.55 2.25 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 1.00 0.00 0.00 0.98 0.00 0.00 107 H 7.97 4.04 0.00 3.24 3.28 0.00 5.85 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 0.00 108 C 8.22 3.98 0.00 3.12 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 0.00 109 E 8.16 3.92 0.00 2.13 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 0.00 2.37 2.44 0.00 110 Q 7.60 3.96 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 111 V 7.13 3.90 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 0.63 0.00 0.00 0.86 0.00 0.00 112 H 7.32 2.90 0.00 3.15 3.05 0.00 5.66 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.38 4.52 0.00 2.64 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 0.00 0.00 0.00 0.00 114 Y 7.45 4.32 0.00 3.07 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 0.00 115 V 7.88 3.71 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 1.09 0.00 0.00 1.00 0.00 0.00 116 S 8.74 4.18 0.00 4.01 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 0.00 117 R 7.90 3.89 0.00 1.96 2.21 0.00 3.21 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 118 D 8.20 4.32 0.00 3.02 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 0.00 119 L 8.09 3.95 0.00 1.78 1.86 0.95 0.56 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 0.00 120 L 8.02 4.00 0.00 1.91 1.71 0.93 0.78 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 0.00 121 K 8.40 3.91 0.00 1.95 1.99 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.51 7.81 122 D 8.10 4.36 0.00 2.91 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 0.00 123 I 7.76 3.52 1.95 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 1.12 0.67 0.78 0.00 0.00 124 L 8.31 3.94 0.00 1.81 1.90 0.94 0.81 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 0.00 125 E 8.47 3.94 0.00 2.08 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 2.46 2.34 0.00 126 S 7.92 4.16 0.00 3.94 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 0.00 127 E 8.26 4.16 0.00 2.09 2.35 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 2.63 2.52 0.00 128 E 8.46 4.05 0.00 2.20 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 2.60 0.00 129 E 8.41 4.03 0.00 2.26 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 2.37 2.50 0.00 130 H 8.30 4.30 0.00 3.27 3.51 0.00 5.62 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 0.00 131 I 8.23 3.69 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.53 0.93 0.00 0.00 132 D 8.58 4.35 0.00 2.89 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 0.00 133 Y 8.34 4.12 0.00 3.08 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.32 3.80 0.00 2.08 1.69 1.10 0.97 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 0.00 135 E 8.36 3.98 0.00 1.98 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 2.31 2.56 0.00 136 T 7.74 3.81 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 137 Q 7.80 3.75 0.00 1.82 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 1.32 1.73 0.00 138 L 7.80 3.83 0.00 1.70 1.62 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 139 G 7.90 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 0.00 140 L 7.67 4.05 0.00 1.84 1.86 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.50 3.53 1.78 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.23 0.81 0.00 0.00 142 Q 7.41 4.00 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 143 K 7.92 4.16 0.00 1.74 1.86 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.68 7.81 144 V 8.39 4.24 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 0.78 0.00 0.00 1.08 0.00 0.00 145 G 7.57 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.50 3.97 0.00 1.77 1.68 1.01 0.91 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 0.00 147 E 8.13 3.97 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 2.40 2.40 0.00 148 N 8.14 4.31 0.00 2.98 2.88 0.00 0.00 6.72 7.48 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 0.00 149 Y 8.21 4.02 0.00 2.94 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 0.00 150 L 8.29 4.09 0.00 1.75 1.72 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.28 3.92 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 152 S 7.88 4.30 0.00 3.79 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 7.61 4.58 0.00 2.95 3.06 0.00 5.81 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 0.00 154 M 7.88 4.17 0.00 1.95 2.01 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 2.73 2.45 0.00 155 H 7.57 5.14 0.00 3.09 3.15 0.00 5.72 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 0.00 156 E 8.64 4.14 0.00 1.95 1.86 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 2.41 2.30 0.00