NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2599 8.3149 121.7958 56.0068 33.3206 175.3136 7 L 4.3919 8.2230 123.7487 53.0104 42.6188 174.6038 8 H 5.0409 8.9550 115.7925 54.0994 32.2089 173.1883 9 K 4.5142 8.6614 120.4910 56.5931 33.0863 176.1225 10 E 4.9837 9.1483 121.6427 53.8308 33.9773 173.6756 11 P 4.9759 0.0000 0.0000 63.4972 32.3735 174.8004 12 A 4.8284 8.0017 121.0063 51.7877 22.9412 175.7322 13 T 4.6440 8.3405 114.8511 61.2670 72.2073 173.8582 14 L 4.2342 8.7372 128.2926 55.9488 42.2889 175.5459 15 I 4.3770 8.3202 126.1465 62.1435 39.0904 175.9607 16 K 4.4512 7.6327 119.2851 55.4345 35.2886 173.5305 17 A 4.7014 8.7181 128.4516 51.5483 19.6851 176.3282 18 I 4.2079 8.5252 120.1052 62.4211 38.2467 174.9467 19 D 4.8084 8.0750 117.2481 52.3532 44.4207 175.7320 20 G 3.8105 8.7653 108.3055 47.6276 0.0000 174.0599 21 D 4.9357 7.7017 115.2559 53.0718 40.1547 175.3556 22 T 5.2227 7.4466 116.0968 62.4560 73.0304 173.1445 23 V 4.8419 8.7257 117.9338 59.6101 36.7509 173.9959 24 K 5.0101 9.3257 126.1245 55.3582 33.8513 175.3582 25 L 5.3051 9.5187 126.3941 53.3346 46.8885 175.3657 26 M 4.9883 9.1722 121.2303 54.4982 33.4153 173.3727 27 Y 5.0080 9.0113 128.0381 55.8873 41.5172 175.7938 28 K 3.7510 9.4951 126.5407 57.3991 29.7271 176.3393 29 G 4.0455 8.7093 107.0173 44.8891 0.0000 173.8449 30 Q 4.8576 7.9193 117.9320 53.2246 31.8116 173.3440 31 P 5.0005 0.0000 0.0000 63.6103 32.2827 175.4353 32 M 4.8967 9.5386 121.7684 54.3120 37.1848 173.8266 33 T 4.7541 8.4540 118.9398 62.6763 70.6259 173.5932 34 F 5.1343 9.4366 125.2423 55.6062 41.9760 174.2774 35 R 5.0207 9.0337 123.4388 54.2847 32.3964 174.9977 36 L 4.5077 8.6142 127.1635 54.4430 41.7796 177.3830 37 L 3.9116 8.7477 124.9456 55.8613 42.1751 177.9354 38 L 3.8256 8.7181 119.3064 55.3875 39.7659 174.2208 39 V 5.0134 7.3621 109.7393 59.5149 35.3249 174.8413 40 D 5.0331 9.2895 123.6405 52.8337 43.4405 175.0752 41 T 4.9118 8.4169 114.1243 58.7327 71.4174 172.6796 42 P 4.3429 0.0000 0.0000 63.6306 32.3467 174.9245 43 E 4.7247 9.1060 122.3134 55.8277 30.9123 177.2404 44 T 4.1242 8.2437 112.6388 62.6210 70.4667 175.6448 45 K 4.6199 7.5230 118.6731 55.5241 32.5810 175.7172 46 H 4.6814 8.3371 119.8326 55.5486 30.7929 174.1015 47 P 4.3844 0.0000 0.0000 64.7178 31.3245 176.9824 48 K 4.6639 7.8252 113.3678 55.4610 34.8794 176.8555 49 K 4.5304 8.3704 115.4105 55.0401 35.8515 177.3592 50 G 3.8812 7.8181 107.9792 46.2132 0.0000 176.2020 51 V 4.4464 8.5826 127.5040 61.8115 32.0650 173.7856 52 E 4.5697 9.3301 128.3813 54.2915 32.3758 175.3003 53 K 4.1021 8.2561 122.4760 58.1373 32.4909 176.7523 54 Y 4.5732 8.1275 123.2581 59.5296 36.4700 171.2290 55 G 3.9760 7.9745 106.8409 47.5053 0.0000 173.9466 56 P 4.2703 0.0000 0.0000 65.0231 31.3460 178.6249 57 E 4.0010 8.0821 116.6908 59.4831 29.5633 179.1194 58 A 4.0591 8.6563 121.1050 55.1894 18.4273 179.8940 59 S 4.1639 8.4329 113.6894 61.7667 62.8511 176.8071 60 A 4.0429 8.2616 123.5571 54.9022 18.0663 179.4532 61 F 3.9165 8.5247 119.3026 61.7652 39.5318 177.5117 62 T 3.9400 8.1624 115.2714 66.5093 68.3117 176.3857 63 K 3.8420 8.0664 121.4874 59.4238 32.1798 178.4606 64 K 3.7919 8.2226 119.9395 59.7261 31.9019 178.2201 65 M 3.8432 7.5829 116.7896 58.9177 32.3358 178.3155 66 V 3.8062 7.8957 112.2848 64.1092 31.5425 178.5231 67 E 3.9567 8.0788 117.7505 59.1051 29.4051 177.4967 68 N 4.5767 8.0159 113.3980 53.3257 39.0233 175.2068 69 A 4.5342 7.3582 122.1620 51.6907 19.4102 178.0302 70 K 4.2018 9.1535 121.0108 58.4491 32.7374 178.1986 71 K 4.6491 8.8147 118.1993 54.6641 35.9051 175.6455 72 I 4.9669 8.4135 125.2256 59.8268 39.8610 174.5161 73 E 4.9403 8.9652 124.1958 54.7905 34.2364 174.7959 74 V 4.6724 9.1600 115.9845 59.5135 35.4094 174.7598 75 E 4.7269 8.9579 124.5585 54.3026 31.9902 174.8962 76 F 4.5942 8.6936 125.5432 57.6877 40.0102 175.8256 77 D 5.0290 8.4315 121.0023 53.5778 43.1642 175.8185 78 K 4.3024 9.1191 116.5549 58.5784 33.2328 178.3283 79 G 4.1604 8.3265 112.4855 44.5910 0.0000 173.7515 80 Q 4.0817 8.6616 122.2372 56.7559 29.1883 176.8821 81 R 4.6343 8.4259 117.3926 56.1993 31.0237 175.7554 82 T 5.0721 7.3828 107.5384 60.0698 71.7558 173.4986 83 D 4.7523 8.6524 124.3992 51.7912 41.4267 177.0554 84 K 3.7860 8.4478 117.2773 59.7867 32.3531 177.0623 85 Y 4.2734 8.1359 115.3320 57.6167 37.9560 175.9832 86 G 3.8875 8.3817 107.9454 45.6779 0.0000 173.6340 87 R 4.4067 8.3386 119.4838 54.6569 31.7136 176.5552 88 G 3.5781 8.5818 111.6910 46.3213 0.0000 172.4604 89 L 5.3347 8.4974 123.3648 53.2506 43.1411 175.5155 90 A 4.4289 8.3823 124.4642 51.2358 23.6638 173.7458 91 Y 4.8331 8.8469 117.1275 56.8128 40.0484 175.3712 92 I 4.7442 8.5560 124.9953 59.7314 39.9305 174.1470 93 Y 5.1133 8.9266 124.0130 56.0312 41.1085 174.5219 94 A 4.7636 9.2371 125.6742 50.2472 21.4512 176.3311 95 D 4.3500 9.9242 125.4029 55.7995 39.0540 175.4092 96 G 4.0110 8.4052 105.5658 45.2556 0.0000 173.5341 97 K 4.5382 8.0955 120.4199 54.8851 33.8972 175.3389 98 M 3.9945 8.4570 122.9440 54.8479 33.0740 177.1405 99 V 3.6471 8.6961 127.4340 65.9974 31.6106 177.5275 100 N 4.2836 8.0337 115.8149 56.4269 38.4630 176.7630 101 E 3.8634 8.0606 119.5824 59.1932 29.9983 178.1058 102 A 4.0291 8.0017 120.8525 55.4297 18.3117 179.5475 103 L 3.4569 7.9094 117.0435 57.8848 41.6417 180.0510 104 V 3.7842 7.3997 119.4907 65.5220 31.2732 177.9663 105 R 3.8610 8.3499 117.6229 59.2073 29.9494 177.5466 106 Q 4.2976 7.6774 114.8695 55.0984 29.3076 175.9924 107 G 3.8090 8.1425 108.9876 46.8021 0.0000 174.7100 108 L 4.4305 7.6285 116.8828 53.7303 42.5734 176.2274 109 A 4.5509 7.2790 118.9650 51.1427 22.5291 175.7396 110 K 5.0085 8.6598 119.4222 54.4176 35.4266 176.0099 111 V 4.2682 8.3284 123.5279 62.7679 31.9796 176.0464 112 A 4.5117 8.6933 130.4333 50.9741 19.8403 176.5728 113 A 3.7967 8.3379 121.8929 52.1911 18.2593 177.6567 114 V 3.7181 7.7756 122.8596 62.7171 32.8079 175.1356 115 Y 4.6848 8.1556 122.5398 55.8692 40.7488 174.9905 116 A 4.6425 8.9605 127.6192 51.3608 19.0531 174.8345 117 P 4.6966 0.0000 0.0000 63.1772 32.0195 177.3135 118 N 4.9447 7.8358 118.8108 52.3151 36.8344 174.9494 119 N 5.1364 7.7024 111.9894 53.0787 39.3553 177.2395 120 T 3.8814 8.4475 117.5816 67.7318 68.5943 174.9909 121 H 4.8691 8.0014 116.0521 55.8141 29.1184 176.8092 122 E 3.9663 8.3475 123.3564 59.5391 29.3399 178.7689 123 Q 3.9670 8.0853 117.4367 59.2895 28.9967 178.0725 124 H 4.1211 8.2711 118.4562 59.5855 29.8920 177.0416 125 L 3.9762 8.2546 120.8131 57.8167 41.3878 179.7698 126 R 3.9345 8.4316 118.5450 59.1188 30.0782 179.2870 127 K 3.9601 8.0648 118.3754 59.5406 32.0653 179.6882 128 S 4.1071 7.9005 115.1538 61.4073 62.7432 176.2818 129 E 3.9843 8.3613 121.9308 59.0768 29.2620 178.7688 130 A 3.7143 7.8591 120.8404 55.0870 18.4936 179.2335 131 Q 3.8059 7.8668 117.5038 59.4672 29.0836 178.6249 132 A 4.0795 8.1014 121.5425 54.8366 18.2611 179.9078 133 K 3.5301 7.6648 117.2441 59.4008 31.8507 179.3986 134 K 3.8290 7.8452 118.7095 59.2958 32.1471 177.6792 135 E 4.2728 7.9891 115.7318 55.2152 30.0365 176.2446 136 K 4.7249 7.9199 117.2654 56.1531 30.6333 175.3222 137 L 4.2351 8.0705 117.8662 55.6854 43.7522 179.3800 138 N 3.4381 9.1356 117.6245 54.3676 38.8861 176.1442 139 I 3.1052 5.4200 126.9128 63.9466 38.2426 176.7609 140 W 5.1317 8.1785 120.8266 56.7982 29.5838 176.5115 141 S 4.3676 7.6701 118.8494 58.5177 62.4798 173.5089 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 6 K 8.31 4.26 0.00 1.75 1.81 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 7 L 8.22 4.39 0.00 1.96 1.70 1.19 0.80 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 8 H 8.95 5.04 0.00 3.11 3.24 0.00 5.72 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 9 K 8.66 4.51 0.00 1.57 1.67 0.00 1.44 0.00 0.00 0.83 0.00 0.00 2.37 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.15 1.27 7.81 10 E 9.15 4.98 0.00 2.06 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 2.40 2.35 0.00 11 P 0.00 4.98 0.00 2.11 2.08 0.00 3.88 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 12 A 8.00 4.83 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 13 T 8.34 4.64 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 1.23 0.00 0.00 14 L 8.74 4.23 0.00 1.63 1.58 0.92 1.01 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 15 I 8.32 4.38 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.81 0.94 0.00 0.00 16 K 7.63 4.45 0.00 1.80 1.60 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.40 7.81 17 A 8.72 4.70 1.23 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 0.00 0.00 18 I 8.53 4.21 2.02 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 1.31 0.73 0.91 0.00 0.00 19 D 8.08 4.81 0.00 2.65 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 20 G 8.77 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 21 D 7.70 4.94 0.00 2.81 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 22 T 7.45 5.22 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 23 V 8.73 4.84 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 0.70 0.00 0.00 0.94 0.00 0.00 24 K 9.33 5.01 0.00 1.83 1.80 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 25 L 9.52 5.31 0.00 1.77 1.56 0.31 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.17 4.99 0.00 2.16 2.02 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 2.56 2.54 0.00 27 Y 9.01 5.01 0.00 3.34 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 28 K 9.50 3.75 0.00 1.47 1.67 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.11 0.70 7.81 29 G 8.71 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 Q 7.92 4.86 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.50 2.33 0.00 31 P 0.00 5.00 0.00 2.14 2.15 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 32 M 9.54 4.90 0.00 1.61 2.13 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.52 0.00 33 T 8.45 4.75 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 1.22 0.00 0.00 34 F 9.44 5.13 0.00 3.08 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 9.03 5.02 0.00 1.87 1.78 0.00 3.36 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 36 L 8.61 4.51 0.00 1.57 1.60 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.75 3.91 0.00 1.18 1.17 0.30 0.64 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 38 L 8.72 3.83 0.00 1.99 1.83 1.15 0.96 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 39 V 7.36 5.01 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 0.80 0.00 0.00 0.94 0.00 0.00 40 D 9.29 5.03 0.00 2.50 2.54 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 41 T 8.42 4.91 4.22 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 1.19 0.00 0.00 42 P 0.00 4.34 0.00 2.27 2.29 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 2.09 2.02 0.00 43 E 9.11 4.72 0.00 2.12 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 2.29 2.37 0.00 44 T 8.24 4.12 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 1.19 0.00 0.00 45 K 7.52 4.62 0.00 1.82 1.83 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.34 7.81 46 H 8.34 4.68 0.00 3.22 3.37 0.00 5.65 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 47 P 0.00 4.38 0.00 1.92 2.01 0.00 3.12 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 1.86 1.98 0.00 48 K 7.83 4.66 0.00 1.78 1.81 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.41 7.81 49 K 8.37 4.53 0.00 1.62 1.77 0.00 1.71 0.00 0.00 1.42 0.00 0.00 2.74 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.40 7.81 50 G 7.82 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.58 4.45 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 0.79 0.00 0.00 0.98 0.00 0.00 52 E 9.33 4.57 0.00 1.90 1.83 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 2.20 2.20 0.00 53 K 8.26 4.10 0.00 1.66 1.72 0.00 1.32 0.00 0.00 1.47 0.00 0.00 2.70 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.24 0.79 7.81 54 Y 8.13 4.57 0.00 3.19 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 55 G 7.97 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.27 0.00 2.15 2.10 0.00 3.51 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 57 E 8.08 4.00 0.00 2.42 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 0.00 2.56 2.51 0.00 58 A 8.66 4.06 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.43 4.16 0.00 4.03 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 60 A 8.26 4.04 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 0.00 0.00 61 F 8.52 3.92 0.00 3.30 3.19 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 62 T 8.16 3.94 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 1.24 0.00 0.00 63 K 8.07 3.84 0.00 1.92 2.06 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 64 K 8.22 3.79 0.00 1.84 1.85 0.00 1.39 0.00 0.00 1.20 0.00 0.00 2.80 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.47 1.35 7.81 65 M 7.58 3.84 0.00 2.05 1.82 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 66 V 7.90 3.81 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 0.73 0.00 0.00 0.99 0.00 0.00 67 E 8.08 3.96 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 68 N 8.02 4.58 0.00 2.67 2.81 0.00 0.00 7.01 7.10 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 69 A 7.36 4.53 1.27 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 0.00 0.00 0.00 0.00 0.00 70 K 9.15 4.20 0.00 1.97 1.87 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.40 7.81 71 K 8.81 4.65 0.00 1.63 1.65 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.39 7.81 72 I 8.41 4.97 2.05 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 1.34 1.05 0.85 0.00 0.00 73 E 8.97 4.94 0.00 1.91 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 74 V 9.16 4.67 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.56 0.00 0.00 75 E 8.96 4.73 0.00 2.20 2.18 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 2.40 2.34 0.00 76 F 8.69 4.59 0.00 3.05 2.99 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 77 D 8.43 5.03 0.00 2.70 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 78 K 9.12 4.30 0.00 2.00 1.90 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.45 7.81 79 G 8.33 4.16 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 0.00 80 Q 8.66 4.08 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 81 R 8.43 4.63 0.00 1.58 1.39 0.00 2.71 0.00 0.00 2.61 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 82 T 7.38 5.07 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 1.14 0.00 0.00 83 D 8.65 4.75 0.00 2.98 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 84 K 8.45 3.79 0.00 1.57 1.81 0.00 1.34 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.15 0.51 7.81 85 Y 8.14 4.27 0.00 2.97 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 G 8.38 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 87 R 8.34 4.41 0.00 2.11 1.82 0.00 3.12 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 88 G 8.58 3.58 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 89 L 8.50 5.33 0.00 1.62 1.63 0.99 0.63 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 90 A 8.38 4.43 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.85 4.83 0.00 2.99 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 92 I 8.56 4.74 1.76 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.76 0.80 0.00 0.00 93 Y 8.93 5.11 0.00 2.83 2.83 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 94 A 9.24 4.76 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 95 D 9.92 4.35 0.00 2.77 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 96 G 8.41 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.10 4.54 0.00 1.92 1.76 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.39 7.81 98 M 8.46 3.99 0.00 1.88 1.57 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 2.27 0.00 99 V 8.70 3.65 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 1.03 0.00 0.00 0.95 0.00 0.00 100 N 8.03 4.28 0.00 2.89 2.93 0.00 0.00 6.78 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 0.00 101 E 8.06 3.86 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 102 A 8.00 4.03 1.61 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 0.00 103 L 7.91 3.46 0.00 1.86 1.61 1.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.40 3.78 2.18 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 1.31 0.00 0.00 0.94 0.00 0.00 105 R 8.35 3.86 0.00 1.92 2.07 0.00 3.34 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 106 Q 7.68 4.30 0.00 1.66 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.32 0.00 0.00 0.00 0.00 0.00 2.36 2.10 0.00 107 G 8.14 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 0.00 108 L 7.63 4.43 0.00 1.31 1.48 0.50 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.28 4.55 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 0.00 110 K 8.66 5.01 0.00 1.68 1.80 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.15 1.12 7.81 111 V 8.33 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 0.77 0.00 0.00 0.99 0.00 0.00 112 A 8.69 4.51 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 0.00 113 A 8.34 3.80 1.13 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 0.00 0.00 114 V 7.78 3.72 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 0.83 0.00 0.00 0.95 0.00 0.00 115 Y 8.16 4.68 0.00 3.07 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 0.00 116 A 8.96 4.64 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 0.00 117 P 0.00 4.70 0.00 2.23 2.19 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 118 N 7.84 4.94 0.00 2.98 2.88 0.00 0.00 6.64 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 0.00 119 N 7.70 5.14 0.00 2.87 2.97 0.00 0.00 6.09 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 0.00 120 T 8.45 3.88 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 121 H 8.00 4.87 0.00 3.03 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.35 3.97 0.00 2.16 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 2.32 2.37 0.00 123 Q 8.09 3.97 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.64 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 124 H 8.27 4.12 0.00 3.22 3.48 0.00 5.87 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 0.00 125 L 8.25 3.98 0.00 1.86 1.72 1.06 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.43 3.93 0.00 1.97 1.95 0.00 3.26 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 127 K 8.06 3.96 0.00 1.96 1.82 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.69 7.81 128 S 7.90 4.11 0.00 3.84 3.86 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 0.00 129 E 8.36 3.98 0.00 2.09 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 2.14 2.64 0.00 130 A 7.86 3.71 1.27 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 0.00 0.00 0.00 0.00 0.00 131 Q 7.87 3.81 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 132 A 8.10 4.08 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 0.00 0.00 0.00 0.00 0.00 133 K 7.66 3.53 0.00 1.61 1.39 0.00 0.98 0.00 0.00 0.61 0.00 0.00 2.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.54 7.81 134 K 7.85 3.83 0.00 1.65 1.98 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.44 7.81 135 E 7.99 4.27 0.00 2.00 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 2.54 0.00 136 K 7.92 4.72 0.00 1.86 1.90 0.00 1.73 0.00 0.00 1.54 0.00 0.00 3.09 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.53 7.81 137 L 8.07 4.24 0.00 1.76 1.65 0.96 0.84 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 0.00 138 N 9.14 3.44 0.00 2.52 1.44 0.00 0.00 7.15 7.32 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 0.00 139 I 5.42 3.11 1.27 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.13 -0.62 0.00 0.00 140 W 8.18 5.13 0.00 3.30 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 0.00 141 S 7.67 4.37 0.00 3.93 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