NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1B H 4.6864 8.4449 116.3076 55.0430 29.9092 172.3731 1C H 4.1440 8.5508 116.9494 56.2592 28.6971 174.1423 1D H 4.8835 9.5765 120.8556 55.9525 30.3486 173.5566 1E H 5.0819 7.7027 115.6197 53.7412 32.6510 172.4267 1F H 4.7058 8.8492 116.9315 55.7288 29.2146 174.3844 1G F 4.8717 8.4044 119.4097 57.9342 39.8669 173.9482 2 N 4.6813 8.5177 117.0551 52.1679 39.2113 174.5719 3 L 4.8068 8.1290 123.0294 52.0823 44.3271 174.4533 4 P 4.6042 0.0000 0.0000 60.6810 32.7475 173.9756 5 P 4.0758 0.0000 0.0000 63.1300 31.4290 176.3117 6 G 3.4913 8.3246 112.2920 44.5743 0.0000 172.8134 7 N 4.0146 7.1680 118.5369 53.7884 40.0055 172.8163 8 Y 4.9222 8.1687 122.8900 57.7855 38.8060 177.8258 9 K 4.1500 7.9827 121.0981 59.1786 32.2392 177.7291 10 K 4.6338 7.6123 115.9025 53.6223 34.3557 174.3478 11 P 4.7260 0.0000 0.0000 63.3312 32.8289 175.2711 12 V 4.9176 9.0323 113.5586 60.0521 36.9315 173.9732 13 L 4.9040 9.1019 121.5837 53.2756 44.4646 176.2987 14 L 5.0599 8.6258 122.9592 53.5237 43.2285 174.6367 15 Y 4.7616 9.1135 127.1742 56.9019 40.2053 173.6375 16 C 4.1104 8.6652 128.7522 58.0043 32.2757 174.4865 17 S 3.7742 8.2587 121.8605 61.0457 62.8158 175.2575 18 N 4.1298 8.1276 118.9141 56.0716 38.6660 175.3657 19 G 3.8511 7.5715 103.3038 44.4952 0.0000 173.1278 20 G 3.1386 7.6854 107.3323 46.3051 0.0000 173.5972 21 H 4.6556 7.3823 115.5854 54.3490 31.3501 174.0239 22 F 5.3124 8.8619 119.6004 55.7818 40.6611 175.4724 23 L 4.6440 8.9721 125.7830 55.4175 43.3712 175.6521 24 R 4.9379 9.2833 125.5797 54.6473 33.8059 173.8579 25 I 4.6843 8.2798 126.6048 59.4444 38.9036 175.6939 26 L 4.1050 8.7328 127.8863 53.3339 42.3570 176.8122 27 P 4.1667 0.0000 0.0000 65.8770 31.2601 177.3806 28 D 4.4771 7.9432 114.3987 53.8612 39.6878 176.9951 29 G 4.0530 8.4931 110.0496 45.3154 0.0000 173.9633 30 T 4.3138 8.4359 117.4257 63.2797 69.1254 173.6241 31 V 4.8651 7.9337 123.6092 61.3038 34.6800 174.7048 32 D 4.5767 8.4422 124.8543 53.1258 42.8954 174.1355 33 G 4.5795 8.7075 104.6864 45.4360 0.0000 172.2389 34 T 5.0047 8.8602 115.1992 60.3974 70.9697 174.8121 35 R 4.2719 8.8722 124.3547 57.1831 30.8709 176.6109 36 D 4.5927 8.1462 118.6301 53.6940 39.7639 176.6280 37 R 3.5647 8.6735 123.6365 57.8955 29.5184 177.7410 38 S 4.4676 8.2175 112.3014 57.9024 63.6619 173.9776 39 D 4.3853 7.9410 121.9202 54.9937 41.2500 176.0930 40 Q 4.3312 8.4464 122.8865 56.6138 29.3873 176.0393 41 H 4.8749 9.4121 116.2059 55.4266 28.9893 175.5273 42 I 4.5373 7.4251 111.0606 59.9408 38.2152 175.3107 43 Q 4.2217 7.8618 121.7583 55.8245 29.5516 174.7156 44 L 4.9392 8.9358 124.8122 52.7541 45.3937 175.5189 45 Q 4.8661 9.2630 124.4804 54.4463 30.9791 174.6258 46 L 5.1602 8.6424 126.6595 54.2494 43.4928 176.2552 47 S 4.6007 8.6174 114.6504 57.0148 66.6704 172.8824 48 A 4.5758 8.3209 123.1070 52.4599 20.4537 175.5889 49 E 4.0673 8.8055 120.7349 56.5387 29.6962 178.3535 50 S 4.5910 5.8100 114.6369 56.5841 65.3175 173.6180 51 V 3.8150 8.2137 121.2939 64.9390 31.4089 176.1855 52 G 3.9437 9.2343 114.7347 45.2831 0.0000 171.8009 53 E 5.1577 8.2123 119.6173 54.5981 32.3168 175.6119 54 V 4.7947 8.9159 116.0737 59.9822 36.8110 173.8023 55 Y 5.2236 8.8902 119.9636 56.5023 41.1921 175.2582 56 I 4.4118 8.6163 122.7961 59.6607 40.0146 174.0823 57 K 4.6987 8.7997 129.3181 54.1113 35.0686 175.0839 58 S 4.4751 8.8242 123.0395 58.4006 62.6315 174.9442 59 T 3.8766 8.5249 118.6789 64.7379 68.8352 176.0578 60 E 4.0194 8.3788 122.5064 58.8643 29.8378 177.2563 61 T 4.2436 7.8299 106.0745 61.0037 69.8733 175.7403 62 G 3.7970 8.0505 109.9074 45.2307 0.0000 173.7518 63 Q 4.3814 7.5390 118.8911 56.0665 30.2143 174.6187 64 Y 4.8148 8.7838 119.6169 55.9061 40.7611 175.2470 65 L 4.5025 9.1016 125.8177 55.4482 43.5304 175.6072 66 A 5.0711 8.7255 125.8268 50.5966 23.1110 174.3742 67 M 5.3735 8.8279 120.2754 53.8797 34.7386 175.6945 68 D 5.2715 9.6444 126.1576 51.5279 41.2536 177.1413 69 T 4.3161 8.5086 108.5036 63.9937 68.6321 174.5032 70 D 4.6002 8.3877 121.2149 54.1712 41.3533 177.2602 71 G 3.2149 8.7843 108.9101 45.0411 0.0000 173.0527 72 L 4.7781 7.6374 119.2229 53.0772 43.3171 175.8038 73 L 5.1937 8.2648 121.9624 55.0288 43.0552 175.3228 74 Y 4.9104 8.7455 118.7243 56.3639 41.9996 173.1993 75 G 4.3159 8.9347 108.1508 45.0544 0.0000 173.2733 76 S 5.0830 9.1020 120.8287 56.7077 64.1305 175.3149 77 Q 4.1646 9.0370 124.9131 58.1493 28.9280 176.4562 78 T 4.7368 7.7018 106.6591 59.0587 71.6186 172.6706 79 P 3.9089 0.0000 0.0000 61.0697 30.0776 174.8774 80 N 5.0171 7.6180 125.5986 51.5676 40.1862 175.7071 81 E 3.8651 8.7401 114.8001 59.7714 29.2793 177.6208 82 E 4.1274 8.8938 118.1082 57.6546 29.7517 177.3290 83 C 5.0619 7.8498 115.1485 58.6422 29.1976 173.3430 84 L 4.2641 7.2708 121.3591 53.6988 42.8025 175.6664 85 F 5.1511 8.9881 122.0885 55.5109 43.2219 174.4513 86 L 4.8475 9.2633 122.8334 53.8982 42.6180 175.4506 87 E 4.7233 8.9094 126.8186 55.3318 30.3660 175.7853 88 R 4.8295 8.6512 125.1699 54.0433 34.8374 174.6877 89 L 4.6423 8.7281 124.7166 55.4535 43.1342 175.8347 90 E 4.7061 9.1741 124.4360 55.2955 33.6467 174.8394 91 E 3.9821 9.7672 123.5522 57.7780 27.3437 174.4882 92 N 4.3128 8.5249 110.4555 54.1491 36.5919 173.6132 93 H 4.8620 8.2965 117.3535 57.5946 37.4288 173.6307 94 Y 4.6327 7.6665 116.2694 57.5311 39.8776 174.3482 95 V 4.9534 9.2793 120.4367 61.4229 34.6254 174.3769 96 T 5.1367 8.8392 117.2349 60.1120 72.3694 172.7017 97 Y 5.0993 8.5819 119.7054 56.5957 41.1953 174.3022 98 I 4.4959 8.6449 126.3244 59.3290 39.3193 175.5614 99 S 3.9459 8.8215 122.3533 58.6828 62.4329 174.0919 100 K 3.9691 8.7014 129.2089 59.3461 32.2960 178.6846 101 K 3.7850 7.9076 118.2972 59.0729 32.2775 176.7309 102 H 4.6376 7.8898 115.3601 55.0567 29.5067 176.5291 103 A 3.9693 7.7287 125.1476 55.1667 18.3763 180.4851 104 E 3.9678 7.9595 115.1293 58.3674 29.8413 177.3004 105 K 4.0458 7.5038 116.2059 55.9018 32.6161 175.9353 106 N 3.9842 7.5055 115.5366 53.9491 36.5463 174.5699 107 W 5.0227 7.8304 117.6282 55.9579 30.8142 176.8853 108 F 5.4354 9.1254 123.8205 55.3986 41.2041 175.7198 109 V 3.9383 8.9992 121.9221 63.1850 32.4338 175.2316 110 G 4.4120 8.5554 112.4382 45.4208 0.0000 171.5894 111 L 5.3229 8.3905 121.1154 52.4348 45.3550 177.1321 112 K 4.2736 9.3517 123.2872 55.5273 32.9008 178.4034 113 K 3.9117 8.4344 119.6556 59.5042 31.9448 177.9698 114 N 4.5664 8.0442 113.7173 52.8114 37.5326 175.9486 115 G 3.5397 8.2222 108.9243 45.1200 0.0000 173.6292 116 S 4.7673 8.3112 115.2657 57.0452 65.0953 174.0918 117 V 4.0872 8.2700 121.4259 63.0688 32.2829 175.0833 118 K 4.5102 8.5928 129.5493 54.3806 32.9033 176.4495 119 R 4.0420 8.6633 124.6720 55.9509 30.1895 177.4315 120 G 3.4739 8.9097 111.0379 48.2738 0.0000 174.1388 121 P 4.2663 0.0000 0.0000 64.2814 31.2528 176.9329 122 R 4.3662 7.7803 117.1037 56.2866 30.5357 176.2370 123 T 5.1054 7.7761 108.5840 60.0376 70.7193 173.4839 124 H 4.7195 7.9120 114.9215 54.9018 30.5321 173.0581 125 Y 4.0599 8.7541 118.4302 60.1581 38.0660 177.3715 126 G 4.0266 9.1178 111.4458 45.3077 0.0000 173.6484 127 Q 4.3357 7.4410 118.6179 54.8311 30.1691 176.8060 128 K 3.8737 8.1934 118.2998 58.2694 32.9402 179.3716 129 A 3.9811 8.0270 121.2256 53.8873 18.3305 178.4417 130 I 4.4280 7.1856 105.9534 60.3291 38.4631 175.2081 131 L 4.4102 7.2895 123.3096 53.8495 42.7258 175.7632 132 F 5.4398 9.3278 122.5823 55.6219 43.3288 174.7458 133 L 5.2139 9.1730 119.9972 52.5232 44.9118 174.4483 134 P 5.1383 0.0000 0.0000 62.4464 32.4411 176.0233 135 L 4.9837 9.1841 124.1502 51.8740 44.9103 174.3684 136 P 4.5955 0.0000 0.0000 63.0066 32.1251 176.6797 137 V 3.8765 7.9609 114.8359 61.7331 31.1561 176.0817 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 1B H 8.44 4.69 0.00 3.16 3.36 0.00 5.52 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1C H 8.55 4.14 0.00 3.19 3.45 0.00 5.69 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 1D H 9.58 4.88 0.00 3.12 3.24 0.00 5.64 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 1E H 7.70 5.08 0.00 3.15 3.28 0.00 5.70 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.85 4.71 0.00 3.34 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.40 4.87 0.00 2.90 3.09 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 2 N 8.52 4.68 0.00 2.95 2.78 0.00 0.00 6.84 6.74 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 3 L 8.13 4.81 0.00 1.47 1.41 0.54 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.60 0.00 2.17 2.06 0.00 3.74 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 1.98 1.96 0.00 5 P 0.00 4.08 0.00 2.02 2.03 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 6 G 8.32 3.49 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 0.00 0.00 0.00 7 N 7.17 4.01 0.00 2.49 2.57 0.00 0.00 7.08 7.54 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 8 Y 8.17 4.92 0.00 3.06 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 9 K 7.98 4.15 0.00 1.82 1.89 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.43 7.81 10 K 7.61 4.63 0.00 1.74 1.72 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.41 7.81 11 P 0.00 4.73 0.00 2.10 2.17 0.00 3.64 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 12 V 9.03 4.92 2.24 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 0.83 0.00 0.00 1.05 0.00 0.00 13 L 9.10 4.90 0.00 1.63 1.60 0.30 0.63 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 14 L 8.63 5.06 0.00 1.63 1.68 0.36 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.11 4.76 0.00 3.26 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 16 C 8.67 4.11 0.00 2.47 2.43 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 17 S 8.26 3.77 0.00 3.82 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 18 N 8.13 4.13 0.00 2.57 2.65 0.00 0.00 6.75 7.98 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 19 G 7.57 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.69 3.14 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 0.00 21 H 7.38 4.66 0.00 3.02 3.25 0.00 5.80 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 22 F 8.86 5.31 0.00 3.11 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 23 L 8.97 4.64 0.00 1.88 1.54 1.00 0.20 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 24 R 9.28 4.94 0.00 1.92 2.05 0.00 3.20 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.80 0.00 25 I 8.28 4.68 1.84 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 1.19 0.75 0.89 0.00 0.00 26 L 8.73 4.10 0.00 1.80 1.51 0.91 0.89 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 27 P 0.00 4.17 0.00 2.00 2.11 0.00 3.53 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 28 D 7.94 4.48 0.00 2.79 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 29 G 8.49 4.05 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 0.00 0.00 0.00 30 T 8.44 4.31 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 1.22 0.00 0.00 31 V 7.93 4.87 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 0.85 0.00 0.00 0.95 0.00 0.00 32 D 8.44 4.58 0.00 2.86 2.74 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 0.00 0.00 0.00 33 G 8.71 4.58 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 0.00 0.00 0.00 34 T 8.86 5.00 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 1.36 0.00 0.00 35 R 8.87 4.27 0.00 1.86 1.98 0.00 3.04 0.00 0.00 3.07 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.31 0.00 36 D 8.15 4.59 0.00 2.85 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 37 R 8.67 3.56 0.00 1.75 2.20 0.00 3.05 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 38 S 8.22 4.47 0.00 3.97 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 39 D 7.94 4.39 0.00 2.77 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 40 Q 8.45 4.33 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.10 0.00 0.00 0.00 0.00 0.00 2.29 2.21 0.00 41 H 9.41 4.87 0.00 3.34 3.46 0.00 5.77 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.43 4.54 1.90 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.91 1.10 0.00 0.00 43 Q 7.86 4.22 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 44 L 8.94 4.94 0.00 1.50 1.44 0.82 0.91 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 45 Q 9.26 4.87 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 46 L 8.64 5.16 0.00 1.77 1.56 0.90 1.08 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 47 S 8.62 4.60 0.00 3.91 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 48 A 8.32 4.58 1.16 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 0.00 0.00 49 E 8.81 4.07 0.00 1.69 1.64 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 2.16 2.27 0.00 50 S 5.81 4.59 0.00 4.13 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 51 V 8.21 3.82 2.32 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 0.98 0.00 0.00 1.04 0.00 0.00 52 G 9.23 3.94 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 0.00 0.00 0.00 53 E 8.21 5.16 0.00 1.91 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 54 V 8.92 4.79 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 0.61 0.00 0.00 1.10 0.00 0.00 55 Y 8.89 5.22 0.00 2.97 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 56 I 8.62 4.41 1.72 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.51 0.67 0.00 0.00 57 K 8.80 4.70 0.00 1.45 1.54 0.00 1.09 0.00 0.00 1.01 0.00 0.00 2.68 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.94 0.48 7.81 58 S 8.82 4.48 0.00 3.83 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.52 3.88 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 60 E 8.38 4.02 0.00 1.98 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 2.16 2.36 0.00 61 T 7.83 4.24 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 1.24 0.00 0.00 62 G 8.05 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 63 Q 7.54 4.38 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 64 Y 8.78 4.81 0.00 2.91 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 65 L 9.10 4.50 0.00 1.61 1.50 0.82 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.73 5.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.83 5.37 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.71 0.00 68 D 9.64 5.27 0.00 2.97 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 69 T 8.51 4.32 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 1.34 0.00 0.00 70 D 8.39 4.60 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.78 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 0.00 0.00 0.00 72 L 7.64 4.78 0.00 2.08 1.62 0.83 0.61 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 73 L 8.26 5.19 0.00 1.58 1.62 0.91 0.91 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 74 Y 8.75 4.91 0.00 3.01 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 75 G 8.93 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 0.00 0.00 0.00 0.00 76 S 9.10 5.08 0.00 3.73 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 9.04 4.16 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.70 4.74 4.17 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 1.22 0.00 0.00 79 P 0.00 3.91 0.00 0.63 0.49 0.00 3.48 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.21 0.00 80 N 7.62 5.02 0.00 2.94 2.98 0.00 0.00 5.86 7.66 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 81 E 8.74 3.87 0.00 2.04 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 2.27 2.33 0.00 82 E 8.89 4.13 0.00 2.21 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 2.37 2.46 0.00 83 C 7.85 5.06 0.00 3.20 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 84 L 7.27 4.26 0.00 1.33 1.29 0.77 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.99 5.15 0.00 3.05 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 86 L 9.26 4.85 0.00 1.53 1.60 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.91 4.72 0.00 2.16 1.94 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 2.29 2.30 0.00 88 R 8.65 4.83 0.00 1.79 1.81 0.00 3.16 0.00 0.00 2.90 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 89 L 8.73 4.64 0.00 1.53 1.62 1.01 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.17 4.71 0.00 2.22 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 0.00 2.30 2.45 0.00 91 E 9.77 3.98 0.00 2.41 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 2.31 2.42 0.00 92 N 8.52 4.31 0.00 2.83 2.88 0.00 0.00 6.87 8.16 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 93 H 8.30 4.86 0.00 2.84 2.92 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.67 4.63 0.00 3.10 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 95 V 9.28 4.95 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 0.67 0.00 0.00 0.98 0.00 0.00 96 T 8.84 5.14 4.57 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 1.34 0.00 0.00 97 Y 8.58 5.10 0.00 2.72 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 98 I 8.64 4.50 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 -0.21 0.60 0.60 0.00 0.00 99 S 8.82 3.95 0.00 4.06 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 0.00 100 K 8.70 3.97 0.00 1.68 1.66 0.00 1.69 0.00 0.00 1.45 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.30 7.81 101 K 7.91 3.79 0.00 1.59 1.63 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.93 1.29 7.81 102 H 7.89 4.64 0.00 3.18 2.44 0.00 5.68 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 0.00 103 A 7.73 3.97 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 0.00 104 E 7.96 3.97 0.00 1.84 1.84 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 2.11 1.90 0.00 105 K 7.50 4.05 0.00 0.80 1.01 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.46 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.03 0.87 7.81 106 N 7.51 3.98 0.00 3.03 3.09 0.00 0.00 6.91 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 W 7.83 5.02 0.00 3.35 3.08 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 0.00 108 F 9.13 5.44 0.00 2.86 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 0.00 109 V 9.00 3.94 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 0.71 0.00 0.00 0.50 0.00 0.00 110 G 8.56 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.39 5.32 0.00 1.47 1.44 1.00 1.02 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 0.00 112 K 9.35 4.27 0.00 1.94 1.68 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.49 7.81 113 K 8.43 3.91 0.00 1.70 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.42 7.81 114 N 8.04 4.57 0.00 2.78 2.89 0.00 0.00 6.19 7.00 0.00 0.00 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 G 8.22 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.31 4.77 0.00 3.85 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 0.00 117 V 8.27 4.09 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 0.76 0.00 0.00 0.97 0.00 0.00 118 K 8.59 4.51 0.00 1.73 1.68 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.31 7.81 119 R 8.66 4.04 0.00 1.79 1.93 0.00 2.92 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 120 G 8.91 3.47 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 0.00 0.00 0.00 121 P 0.00 4.27 0.00 2.14 2.25 0.00 2.97 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 1.70 1.59 0.00 122 R 7.78 4.37 0.00 1.91 1.97 0.00 3.12 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 123 T 7.78 5.11 4.30 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 1.41 0.00 0.00 124 H 7.91 4.72 0.00 3.39 3.52 0.00 5.48 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.75 4.06 0.00 3.15 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 0.00 126 G 9.12 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 0.00 0.00 0.00 127 Q 7.44 4.34 0.00 1.82 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.69 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 128 K 8.19 3.87 0.00 1.75 1.62 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.26 7.81 129 A 8.03 3.98 1.20 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 0.00 0.00 130 I 7.19 4.43 1.63 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.82 0.49 0.00 0.00 131 L 7.29 4.41 0.00 0.97 0.72 0.35 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.33 5.44 0.00 3.37 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 0.00 133 L 9.17 5.21 0.00 1.88 1.68 1.15 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.14 0.00 2.04 2.12 0.00 3.73 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.37 0.00 135 L 9.18 4.98 0.00 1.61 1.58 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.60 0.00 2.07 2.06 0.00 3.78 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 1.99 2.01 0.00 137 V 7.96 3.88 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 0.60 0.00 0.00 0.94 0.00 0.00