NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9315 8.3016 109.1163 45.1139 0.0000 174.0087 4 D 4.2610 8.4075 124.2721 53.0612 43.1448 175.3741 5 K 3.9585 9.3633 128.3575 59.6107 32.7634 178.8858 6 K 4.0027 8.0869 118.3150 58.8892 32.0005 179.3363 7 V 3.6535 8.1099 118.8642 66.2670 31.4077 178.1227 8 I 3.8003 7.8694 119.3698 64.5584 36.8565 178.5172 9 Q 3.9882 7.9006 118.4607 59.0200 28.4868 178.3626 10 H 4.1488 8.5619 117.6890 58.8023 28.7322 177.6096 11 L 4.0089 8.3429 121.1967 58.2338 41.4946 179.5847 12 N 4.3657 8.5569 116.2554 55.7506 38.3385 177.5273 13 K 3.9500 7.9745 121.5504 59.3883 32.2720 178.8773 14 I 3.6986 8.1864 120.5952 64.3054 37.0317 178.0425 15 L 4.0314 8.2470 121.4069 58.0646 41.9009 179.2151 16 G 3.6463 8.1957 105.6698 48.0363 0.0000 175.3415 17 N 4.3670 8.3162 119.1931 56.0544 38.4769 177.3806 18 E 3.9661 8.4366 120.1366 59.3941 29.2438 179.4368 19 L 4.0231 8.0023 119.0729 57.6000 41.5462 179.6755 20 I 3.6969 7.6089 119.2218 64.2254 37.0425 178.2477 21 A 3.3387 7.9121 121.5921 54.8541 18.1261 179.3739 22 I 3.5943 7.8505 118.7379 64.9999 37.2507 178.3720 23 N 4.4039 7.6752 115.4726 56.0414 38.3241 177.4562 24 Q 3.8431 8.2509 121.3517 59.5601 29.2393 178.0206 25 Y 4.7507 8.3056 119.4065 60.5168 37.8442 178.3390 26 F 3.9995 8.4123 121.8628 61.0428 39.4922 177.0648 27 L 3.9680 8.2312 120.0531 58.5250 41.8942 178.4999 28 H 3.7860 8.3436 116.4653 58.7955 28.6025 177.5271 29 S 4.3339 8.5708 115.1732 61.7532 62.1983 176.4313 30 R 4.0093 7.7440 119.7932 58.5270 29.8154 178.9462 31 M 3.4861 7.8104 119.2311 57.8614 31.7728 178.6174 32 W 4.5172 7.8676 119.1347 59.8747 29.2189 178.3340 33 N 4.3845 8.3580 116.4594 56.4498 37.7874 176.8605 34 D 4.3644 7.9352 118.2719 56.9666 41.3323 177.6053 35 W 4.9113 8.0491 116.8331 56.7015 29.4617 177.1065 36 G 3.9870 8.2826 107.9816 46.0676 0.0000 174.2429 37 L 4.7878 8.2104 122.5047 53.2679 40.3078 177.5628 38 K 4.0338 8.4649 122.3426 59.1428 32.3512 179.0063 39 R 3.9127 8.0602 119.2617 59.2769 29.9160 178.6119 40 L 3.8500 7.7858 118.5095 57.5458 41.5160 179.4196 41 G 3.8239 8.3888 105.6432 47.9029 0.0000 175.6238 42 A 4.0362 8.4738 123.8352 55.0960 18.4756 179.1006 43 H 3.9644 8.4651 117.0158 59.4923 29.3526 177.1046 44 E 4.0080 8.6472 121.2943 59.0892 29.5120 177.7243 45 Y 4.0375 8.2096 119.9144 61.3976 38.7525 178.3074 46 H 3.9792 8.0858 116.4241 58.5910 28.8179 177.6346 47 E 3.8467 8.0651 120.5686 59.3649 29.1617 179.2081 48 S 4.2842 8.4114 113.4237 61.6773 62.4562 176.3874 49 I 3.6196 7.6487 122.3763 64.3998 36.7784 178.1927 50 D 4.2861 8.1811 119.8054 57.3601 40.5494 178.7066 51 E 4.2157 8.2322 118.9728 59.5330 29.4289 179.1496 52 M 4.0415 8.3579 119.1969 58.4801 32.1351 179.0130 53 K 4.0030 8.0348 118.5165 59.5835 32.1998 179.1831 54 H 4.2129 8.1321 116.3329 58.7865 28.5683 177.3263 55 A 4.0107 8.3421 123.0280 55.4894 18.1175 179.1826 56 D 4.2494 8.1124 116.0910 57.5599 41.3438 178.6597 57 K 4.0263 7.9991 118.6958 59.2688 31.9232 179.4027 58 L 3.9912 8.0728 119.2602 57.8996 41.5245 179.3415 59 I 3.6995 7.9733 119.9509 64.6941 37.0615 178.2919 60 E 3.9830 8.2085 119.1259 59.4566 29.2961 179.4956 61 R 4.0312 8.1489 118.7650 59.3604 30.0733 178.5950 62 I 3.7485 8.0665 119.8608 64.3739 37.0387 178.3821 63 L 3.9796 8.2237 120.0333 57.8644 41.2589 179.3418 64 F 4.2108 8.2378 119.3872 61.1043 39.4510 176.3089 65 L 3.8978 8.0200 116.4339 54.3412 41.3176 177.2151 66 E 3.6342 8.1132 117.9877 57.2901 27.0911 174.6221 67 G 3.9494 7.9936 109.1291 44.0917 0.0000 173.4507 68 L 4.6016 8.0175 118.8885 51.9582 42.9848 175.0977 69 P 4.3399 0.0000 0.0000 62.4509 31.7736 175.9779 70 N 4.6497 9.8163 123.3000 52.5847 38.2871 173.9803 71 L 4.6103 8.3197 124.2103 54.5351 42.3216 177.3363 72 Q 4.1574 8.8462 122.3220 57.7886 29.5378 175.8028 73 D 4.4781 8.2197 117.9762 53.2835 41.2174 175.3201 74 L 4.4712 8.2999 126.7466 52.7373 43.0681 176.2597 75 G 3.8001 8.3169 116.3026 44.8677 0.0000 170.9282 76 K 4.1531 8.3362 120.7658 55.3624 32.5027 176.9512 77 L 3.9939 8.4175 126.9582 54.7238 42.1095 176.7401 78 L 4.3838 8.8065 124.2618 53.5469 41.2973 176.2262 79 I 4.3884 8.1411 125.4142 59.1555 38.4263 176.5210 80 G 3.9592 8.7120 114.9364 45.1811 0.0000 172.3748 81 E 4.7269 8.6953 115.2057 55.7665 30.6843 175.5777 82 N 5.0680 7.6932 116.8887 50.6590 41.9166 175.1063 83 T 4.4646 8.5447 116.4413 67.1843 68.5637 176.5810 84 Q 4.0015 8.2874 119.3200 59.3678 28.7509 179.0378 85 E 4.0788 8.8078 119.3610 59.3623 29.5441 179.1089 86 M 3.9084 8.5372 119.2924 58.4483 31.9775 178.7955 87 L 4.1816 8.4284 119.2520 57.9572 41.7171 179.4336 88 Q 4.0018 8.2207 119.5583 59.1556 28.9066 177.9268 89 C 4.1841 8.8278 118.2476 62.9935 28.2082 175.7353 90 D 4.6655 8.3955 120.4119 57.5093 40.4565 178.7491 91 L 4.0023 8.2126 120.8044 58.0876 42.1941 178.6913 92 N 4.3542 8.5582 116.8825 56.2481 38.4282 177.0318 93 L 4.0061 8.2029 121.7303 58.3512 42.1444 178.9164 94 E 4.0596 8.5006 118.5077 59.3666 29.4697 179.3264 95 L 3.9967 8.1281 119.1098 57.5064 41.6770 179.3546 96 K 3.8742 8.0222 119.0228 59.6069 32.1429 178.5450 97 A 4.0302 8.2998 121.2165 55.6301 18.2567 179.8100 98 T 3.8396 8.1855 114.2722 66.4377 68.3933 176.8041 99 K 3.8727 7.9639 121.3622 59.7808 32.2104 178.4627 100 D 4.5411 8.2230 118.9560 57.4023 40.6433 178.7829 101 L 3.9965 8.1319 119.4770 57.9087 41.5881 179.7084 102 R 3.9269 7.9635 117.8863 59.4532 30.0202 178.9616 103 E 3.9462 8.0657 117.8925 59.3247 29.3687 179.3322 104 A 3.6392 8.0498 120.8597 55.0201 18.3665 179.8315 105 I 3.6266 8.0715 118.6956 64.3458 37.2028 178.4675 106 V 3.5690 7.8806 119.3401 66.5566 31.2479 177.6337 107 H 4.0414 8.1540 117.4800 59.3442 29.6569 176.6325 108 C 3.8634 8.1564 118.7865 63.0684 28.0129 175.8652 109 E 3.9251 8.3228 120.5709 59.3657 28.9777 178.6010 110 Q 3.9781 7.6799 118.3574 58.8067 29.1667 177.7766 111 V 3.9254 7.1615 110.0764 60.6006 31.8605 175.5325 112 H 2.9624 7.4395 113.9755 57.2215 26.6799 176.3021 113 D 4.5256 7.6867 119.7572 53.3231 37.9085 175.3323 114 Y 4.3488 7.2993 121.1859 60.5698 38.4138 178.0515 115 V 3.6522 7.8292 119.0906 66.0026 31.7623 178.0874 116 S 4.1467 8.2030 114.5793 61.4653 62.5910 176.3681 117 R 3.9034 7.9953 121.4749 59.7299 29.7933 177.9828 118 D 4.3073 8.3520 117.6514 57.1454 41.2133 177.7357 119 L 3.9580 7.9478 120.8654 58.4436 42.0046 179.1382 120 L 4.0430 8.0471 118.7693 57.4155 41.4256 179.3609 121 K 3.9276 8.3332 119.9847 59.6507 32.2134 178.5844 122 D 4.3604 8.1879 119.1283 57.5098 40.6609 178.8951 123 I 3.5851 7.7808 120.3434 64.0809 36.9688 178.2816 124 L 3.9350 8.1475 121.6657 58.0629 41.9507 178.6406 125 E 3.9500 8.4479 119.5601 59.3585 29.6453 178.7755 126 S 4.1681 8.0841 113.1110 61.3685 62.4575 176.0185 127 E 4.1249 8.4345 121.6318 59.3611 29.1250 179.0665 128 E 4.0633 8.6844 119.1600 59.4496 29.4456 179.2587 129 E 4.0283 8.2935 118.7477 59.5913 29.2505 178.8588 130 H 4.3928 8.0406 117.2503 59.1477 30.1893 177.0867 131 I 3.8670 7.9840 121.8438 64.2421 36.9284 177.7292 132 D 4.3231 8.4725 119.1986 57.5534 41.0381 177.4175 133 Y 4.1745 8.1966 119.9574 60.9368 38.7386 178.3737 134 L 3.7577 7.8180 118.9431 57.9094 41.8972 179.1826 135 E 3.9405 8.2706 118.4879 59.6594 29.3007 179.5955 136 T 3.8190 7.9623 115.7506 66.7427 68.4230 176.7157 137 Q 3.8262 7.7924 119.9608 58.7602 28.6719 178.8453 138 L 3.8243 7.7985 120.1634 57.5122 41.6356 179.6785 139 G 3.5899 7.9870 105.6223 47.9253 0.0000 175.6318 140 L 4.0208 8.1912 122.0960 57.4092 41.5605 179.5243 141 I 3.5282 7.5885 119.9618 64.6414 36.7918 178.4477 142 Q 3.9797 7.5716 116.9266 58.8396 28.5866 178.5785 143 K 4.1819 7.8170 118.5022 58.3305 32.3978 178.7843 144 V 4.2740 8.1618 109.8656 59.8009 33.1997 177.1587 145 G 4.0861 7.4638 103.9815 45.6028 0.0000 174.4435 146 L 3.9648 8.4905 121.3859 58.2453 42.0962 179.3989 147 E 3.9909 8.1361 117.9855 59.3745 29.3606 178.9893 148 N 4.3009 8.1042 116.1345 56.3327 38.4977 176.3861 149 Y 3.9651 8.0021 119.9564 60.9498 39.0433 178.1839 150 L 4.0749 8.2286 119.7460 57.5587 41.8854 178.9742 151 Q 3.8998 8.2404 119.7836 59.4768 28.8040 178.6670 152 S 4.2500 8.0070 113.5556 60.3575 63.0410 174.4965 153 H 4.6253 7.8737 118.2486 55.4805 29.7408 175.7550 154 M 4.3452 7.9833 120.7056 57.5454 31.9413 176.0482 155 H 5.0460 7.5830 114.0501 53.6340 30.9013 174.5249 156 E 4.1397 8.7528 121.7984 56.8005 29.2532 176.8441 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 3.93 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 4 D 8.41 4.26 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 9.36 3.96 0.00 1.84 1.77 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.50 7.81 6 K 8.09 4.00 0.00 1.93 1.56 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.53 1.06 7.81 7 V 8.11 3.65 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 1.15 0.00 0.00 1.04 0.00 0.00 8 I 7.87 3.80 1.98 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 1.52 0.55 0.90 0.00 0.00 9 Q 7.90 3.99 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 10 H 8.56 4.15 0.00 3.39 3.32 0.00 5.63 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 8.34 4.01 0.00 1.80 1.75 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.56 4.37 0.00 2.81 2.86 0.00 0.00 6.72 7.65 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 13 K 7.97 3.95 0.00 1.93 1.97 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.25 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 8.19 3.70 2.00 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 1.70 0.73 0.92 0.00 0.00 15 L 8.25 4.03 0.00 1.76 1.90 0.92 0.99 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 16 G 8.20 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 17 N 8.32 4.37 0.00 2.90 2.88 0.00 0.00 7.08 7.20 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 18 E 8.44 3.97 0.00 2.14 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 2.52 0.00 19 L 8.00 4.02 0.00 1.81 1.68 0.90 0.62 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 7.61 3.70 1.95 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 1.42 0.82 0.85 0.00 0.00 21 A 7.91 3.34 1.03 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 0.00 0.00 22 I 7.85 3.59 1.96 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 1.55 0.76 0.89 0.00 0.00 23 N 7.68 4.40 0.00 2.92 2.82 0.00 0.00 6.74 7.71 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 24 Q 8.25 3.84 0.00 2.04 1.98 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 2.41 2.31 0.00 25 Y 8.31 4.75 0.00 3.01 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 8.41 4.00 0.00 3.29 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 27 L 8.23 3.97 0.00 1.88 1.59 0.88 0.91 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 8.34 3.79 0.00 3.47 2.77 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 8.57 4.33 0.00 3.88 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 30 R 7.74 4.01 0.00 1.91 1.89 0.00 2.94 0.00 0.00 2.60 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 31 M 7.81 3.49 0.00 0.85 1.65 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.13 0.00 32 W 7.87 4.52 0.00 3.61 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 33 N 8.36 4.38 0.00 2.89 2.85 0.00 0.00 6.65 7.42 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 34 D 7.94 4.36 0.00 2.56 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 35 W 8.05 4.91 0.00 3.75 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 36 G 8.28 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 0.00 0.00 0.00 37 L 8.21 4.79 0.00 2.10 1.62 1.27 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.46 4.03 0.00 1.93 1.87 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.49 7.81 39 R 8.06 3.91 0.00 2.01 1.93 0.00 3.13 0.00 0.00 2.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 40 L 7.79 3.85 0.00 1.23 0.15 0.26 0.26 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 41 G 8.39 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 42 A 8.47 4.04 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 43 H 8.47 3.96 0.00 3.32 3.43 0.00 5.78 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 44 E 8.65 4.01 0.00 2.58 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 0.00 2.76 2.73 0.00 45 Y 8.21 4.04 0.00 2.99 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 46 H 8.09 3.98 0.00 3.32 3.21 0.00 5.87 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 47 E 8.07 3.85 0.00 1.97 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.12 0.00 48 S 8.41 4.28 0.00 4.06 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.65 3.62 1.78 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.08 0.83 0.00 0.00 50 D 8.18 4.29 0.00 2.81 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 51 E 8.23 4.22 0.00 2.19 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 0.00 2.74 2.60 0.00 52 M 8.36 4.04 0.00 2.01 2.24 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 2.88 2.57 0.00 53 K 8.03 4.00 0.00 1.84 1.80 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.59 7.81 54 H 8.13 4.21 0.00 3.35 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 8.34 4.01 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 56 D 8.11 4.25 0.00 2.92 2.85 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 57 K 8.00 4.03 0.00 2.03 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.60 7.81 58 L 8.07 3.99 0.00 1.88 1.73 0.97 0.60 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 7.97 3.70 2.06 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 1.53 0.82 0.92 0.00 0.00 60 E 8.21 3.98 0.00 2.19 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 2.35 2.46 0.00 61 R 8.15 4.03 0.00 2.07 2.11 0.00 3.29 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 62 I 8.07 3.75 2.04 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 0.64 0.94 0.00 0.00 63 L 8.22 3.98 0.00 2.04 1.77 0.93 1.33 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 64 F 8.24 4.21 0.00 2.99 3.37 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 65 L 8.02 3.90 0.00 1.86 1.62 0.98 0.77 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 8.11 3.63 0.00 1.99 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 2.16 2.18 0.00 67 G 7.99 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 68 L 8.02 4.60 0.00 1.60 1.59 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.34 0.00 2.04 1.99 0.00 3.66 0.00 0.00 3.76 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 9.82 4.65 0.00 2.60 2.84 0.00 0.00 7.10 5.12 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 71 L 8.32 4.61 0.00 1.62 1.62 0.92 0.94 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 72 Q 8.85 4.16 0.00 1.92 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 73 D 8.22 4.48 0.00 2.69 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 74 L 8.30 4.47 0.00 1.52 1.53 0.88 1.07 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 75 G 8.32 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.34 4.15 0.00 1.72 1.73 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.42 3.99 0.00 1.63 1.56 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.81 4.38 0.00 1.75 1.68 1.01 0.97 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 79 I 8.14 4.39 1.88 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 1.33 0.83 0.90 0.00 0.00 80 G 8.71 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 81 E 8.70 4.73 0.00 2.14 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 0.00 2.49 2.23 0.00 82 N 7.69 5.07 0.00 2.89 2.86 0.00 0.00 6.23 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 8.54 4.46 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 84 Q 8.29 4.00 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 85 E 8.81 4.08 0.00 2.05 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 2.35 2.62 0.00 86 M 8.54 3.91 0.00 1.34 2.27 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.18 0.00 87 L 8.43 4.18 0.00 1.89 1.73 0.80 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.22 4.00 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.83 4.18 0.00 3.27 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 90 D 8.40 4.67 0.00 2.98 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 91 L 8.21 4.00 0.00 1.83 1.92 0.93 0.55 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 92 N 8.56 4.35 0.00 2.97 2.89 0.00 0.00 6.65 6.97 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 93 L 8.20 4.01 0.00 1.92 1.99 0.92 0.83 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 94 E 8.50 4.06 0.00 2.22 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 2.68 2.52 0.00 95 L 8.13 4.00 0.00 1.87 1.74 0.94 nan 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 96 K 8.02 3.87 0.00 1.92 2.04 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.30 4.03 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 98 T 8.19 3.84 4.53 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 99 K 7.96 3.87 0.00 1.99 2.00 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.51 7.81 100 D 8.22 4.54 0.00 2.90 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 0.00 101 L 8.13 4.00 0.00 1.85 1.73 0.92 0.83 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 0.00 102 R 7.96 3.93 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 103 E 8.07 3.95 0.00 2.16 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 2.36 2.35 0.00 104 A 8.05 3.64 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 0.00 105 I 8.07 3.63 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 0.64 0.93 0.00 0.00 106 V 7.88 3.57 2.26 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 1.00 0.00 0.00 0.97 0.00 0.00 107 H 8.15 4.04 0.00 3.30 3.30 0.00 5.86 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 8.16 3.86 0.00 3.15 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 0.00 109 E 8.32 3.93 0.00 2.18 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 2.37 2.45 0.00 110 Q 7.68 3.98 0.00 2.27 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 111 V 7.16 3.93 1.96 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 0.74 0.00 0.00 0.86 0.00 0.00 112 H 7.44 2.96 0.00 3.09 3.06 0.00 5.66 0.00 0.00 0.00 0.00 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.69 4.53 0.00 2.60 2.49 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 0.00 114 Y 7.30 4.35 0.00 3.05 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.83 3.65 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 1.07 0.00 0.00 0.99 0.00 0.00 116 S 8.20 4.15 0.00 3.92 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 0.00 117 R 8.00 3.90 0.00 1.95 2.25 0.00 3.24 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 118 D 8.35 4.31 0.00 3.04 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 0.00 119 L 7.95 3.96 0.00 1.93 1.88 0.95 0.72 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 0.00 120 L 8.05 4.04 0.00 1.87 1.71 0.93 0.94 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 0.00 121 K 8.33 3.93 0.00 2.07 1.98 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.36 7.81 122 D 8.19 4.36 0.00 2.90 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 7.78 3.59 1.97 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 1.28 0.75 0.77 0.00 0.00 124 L 8.15 3.93 0.00 1.87 1.89 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.45 3.95 0.00 2.08 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 0.00 2.33 2.34 0.00 126 S 8.08 4.17 0.00 4.03 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 0.00 127 E 8.43 4.12 0.00 2.05 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 2.66 2.51 0.00 128 E 8.68 4.06 0.00 2.14 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 2.51 0.00 129 E 8.29 4.03 0.00 2.22 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 2.36 2.50 0.00 130 H 8.04 4.39 0.00 3.19 3.52 0.00 5.78 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 0.00 131 I 7.98 3.87 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.73 0.93 0.00 0.00 132 D 8.47 4.32 0.00 2.81 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 0.00 133 Y 8.20 4.17 0.00 3.11 3.20 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 0.00 134 L 7.82 3.76 0.00 1.96 1.67 1.08 0.78 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 0.00 135 E 8.27 3.94 0.00 2.07 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 2.44 0.00 136 T 7.96 3.82 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 1.18 0.00 0.00 137 Q 7.79 3.83 0.00 1.81 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 1.27 1.92 0.00 138 L 7.80 3.82 0.00 1.71 1.61 0.82 0.83 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 0.00 139 G 7.99 3.59 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 0.00 0.00 0.00 140 L 8.19 4.02 0.00 1.83 1.88 1.03 0.75 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 0.00 141 I 7.59 3.53 1.80 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.06 0.80 0.00 0.00 142 Q 7.57 3.98 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 143 K 7.82 4.18 0.00 1.75 1.86 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.68 7.81 144 V 8.16 4.27 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 1.10 0.00 0.00 145 G 7.46 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 0.00 0.00 0.00 146 L 8.49 3.96 0.00 1.76 1.68 1.12 0.92 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 0.00 147 E 8.14 3.99 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 2.39 2.40 0.00 148 N 8.10 4.30 0.00 3.09 2.88 0.00 0.00 6.75 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 8.00 3.97 0.00 3.04 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 0.00 150 L 8.23 4.07 0.00 1.75 1.71 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.24 3.90 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 152 S 8.01 4.25 0.00 3.78 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 7.87 4.63 0.00 3.04 3.07 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.98 4.35 0.00 2.00 1.84 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.45 0.00 155 H 7.58 5.05 0.00 3.09 3.15 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.75 4.14 0.00 1.96 1.87 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 2.32 2.31 0.00