NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4367 8.3349 115.4131 57.8363 64.6392 173.8705 2 K 4.1162 8.0975 119.5633 57.2761 32.7306 175.3891 3 T 4.3109 8.3931 116.9601 64.7401 71.5322 175.0005 4 N 4.4461 7.9518 120.2738 52.8465 39.7476 173.6954 5 P 4.3137 0.0000 0.0000 65.4153 31.4511 179.0456 6 R 3.8871 8.4826 117.4189 59.2387 30.0718 178.6993 7 L 4.0077 8.1103 119.6085 58.0563 42.0088 178.8579 8 S 4.0428 7.9756 113.1461 61.5724 62.3386 176.3757 9 S 4.1134 8.1670 117.8870 61.2984 62.4480 176.3254 10 L 3.8711 8.3076 123.5136 58.2601 41.8405 179.0517 11 I 3.6591 7.7200 119.3755 64.5286 37.0682 178.3581 12 A 4.0473 7.9778 121.4125 55.1580 18.2575 179.4803 13 D 4.2852 8.2707 117.7917 57.4030 40.9960 178.8679 14 L 3.8916 8.2457 119.9633 57.5654 41.5322 179.8635 15 K 4.0189 7.9318 118.0540 59.5764 32.0936 179.2453 16 S 4.1084 8.0978 113.1883 61.4313 62.0143 176.1376 17 A 4.0888 7.9977 122.7527 54.8918 18.0619 179.4184 18 A 4.2240 7.9368 117.8018 54.8240 18.4781 179.7992 19 R 4.1256 7.7987 116.4023 59.9288 30.5324 178.6082 20 S 4.1844 7.9985 114.3189 61.0983 63.3961 176.0350 21 S 4.4302 8.0103 116.6653 58.3180 63.5791 175.4251 22 G 3.8796 8.5701 108.5891 45.9396 0.0000 174.3195 23 G 3.9025 7.3295 107.7488 45.4659 0.0000 173.4333 24 A 4.5426 8.0948 121.6602 52.2865 21.6681 179.0988 25 V 3.4339 7.5142 108.9304 64.3358 31.4781 178.2573 26 W 5.0387 7.6813 118.3099 60.3177 28.9092 178.7253 27 G 3.6354 8.2117 104.8396 47.6566 0.0000 175.1644 28 D 4.3228 8.0163 120.3018 57.2855 41.2835 178.5647 29 V 3.6534 8.7569 119.5497 65.8080 31.6305 177.8733 30 A 4.0243 8.3246 120.9702 55.2559 18.0148 179.5224 31 E 4.1458 8.0725 116.1742 59.4537 29.3553 179.2278 32 R 4.0631 7.8998 118.5704 59.1339 29.9146 178.4515 33 L 3.7847 7.7557 118.1216 57.2962 41.6689 178.8400 34 E 4.1672 7.8095 117.5739 57.9917 29.5903 177.6641 35 K 4.2905 6.9307 116.9155 54.8445 33.0573 174.8109 36 P 4.2043 0.0000 0.0000 63.1585 31.9668 177.6514 37 R 3.4921 8.8085 121.2377 59.3521 30.1084 179.0802 38 R 3.9979 7.9322 112.7779 58.5901 29.4300 177.2983 39 T 4.2848 7.8877 107.7916 62.4566 69.6008 175.0571 40 H 4.3033 7.7966 119.5591 55.6584 29.4597 174.9832 41 A 4.2125 8.1758 124.3031 52.4221 19.6450 177.0180 42 E 4.8325 8.6375 119.4468 54.8219 31.8099 174.2268 43 V 4.4260 8.7166 124.5590 61.0151 34.0675 174.8215 44 N 5.4253 8.4532 124.1124 51.3446 40.6294 176.1410 45 L 4.1263 8.6451 120.2038 57.9226 40.9982 180.1359 46 G 3.6327 8.1456 105.4066 47.7405 0.0000 175.4428 47 R 4.0003 7.7962 120.4072 59.0193 30.1901 178.5786 48 I 3.7675 7.6944 119.2918 64.4188 36.9900 177.8454 49 E 3.9456 8.1638 119.0807 59.1460 29.4673 178.4657 50 R 3.8816 7.2988 117.3197 58.0712 30.1701 176.3367 51 Y 4.7452 7.4211 112.3668 57.3902 39.1719 175.2908 52 A 4.6915 7.8088 123.4203 51.0151 20.2228 176.7922 53 Q 4.6251 8.0534 115.8999 54.0782 31.7396 174.5813 54 E 3.9230 8.5911 119.5044 58.1499 29.9946 177.0039 55 D 4.5204 8.8950 120.1247 54.5036 38.3775 173.1905 56 E 4.7470 7.6981 119.5669 54.3736 31.9254 175.6333 57 T 4.2918 8.6289 125.2575 63.5580 69.8182 174.1413 58 V 4.2848 8.7945 127.7185 62.6325 33.1885 174.7950 59 V 4.8630 9.0703 128.1679 61.2801 33.9770 174.3015 60 V 4.8011 9.1365 129.8874 59.2135 32.7437 174.7512 61 P 4.6517 0.0000 0.0000 60.4036 30.1745 175.3069 62 G 4.1742 6.9992 118.4812 46.8527 0.0000 173.8864 63 K 4.8606 9.0656 126.6365 54.1831 35.7017 173.8581 64 V 4.6990 8.1207 126.2339 61.5458 33.4042 174.8018 65 L 4.9217 9.6864 128.4129 52.6791 44.7415 176.7549 66 G 4.0727 8.5171 106.8827 46.9738 0.0000 173.8582 67 S 4.4906 8.3383 116.8022 58.8575 64.5129 175.3477 68 G 4.0909 8.9795 109.8530 44.7438 0.0000 172.2623 69 V 4.3714 7.9287 116.9375 60.6227 33.8979 174.3864 70 L 4.8764 8.5037 127.9190 53.4303 44.1013 175.4205 71 Q 4.4996 9.8137 124.9119 56.8491 31.1062 176.7999 72 K 3.9427 8.2610 115.5418 57.2410 32.4068 176.7821 73 D 5.3474 8.5029 122.8285 52.4204 39.7952 175.0800 74 V 4.4445 7.7165 115.4737 59.4034 36.2144 174.4913 75 T 4.9239 8.3334 118.4871 62.1761 70.6308 173.7199 76 V 4.9395 8.8855 126.9547 61.0219 34.2663 174.0057 77 A 5.9400 9.6776 129.4013 49.5524 21.4706 175.0048 78 A 5.0073 8.3511 122.6253 49.4322 22.9345 176.8541 79 V 3.5397 8.4064 119.0958 66.2549 32.1301 175.5178 80 D 4.6361 7.1611 116.6368 53.6357 44.4127 174.3399 81 F 5.4656 8.8763 120.0813 55.3844 43.1034 175.0570 82 S 4.4027 8.8995 116.7909 57.8541 63.8614 175.5609 83 G 3.6503 8.8045 106.6679 48.3430 0.0000 176.0816 84 T 3.9493 7.9086 117.4199 66.0543 68.4925 176.5008 85 A 4.0150 7.9070 122.3060 55.4387 18.4407 179.3529 86 E 3.6564 8.2072 117.3393 59.4729 29.3040 179.3226 87 T 3.9020 7.2644 114.5978 66.4425 68.8206 176.7620 88 K 4.5208 8.1254 121.8548 59.0372 32.0422 179.5821 89 I 3.7623 8.0442 120.3613 64.3795 36.8691 177.8021 90 D 4.8140 7.5700 118.4194 55.5721 40.8264 178.0821 91 Q 4.1941 7.9262 119.5798 57.6407 28.9332 177.4887 92 V 4.5070 7.7386 110.4536 61.1022 34.5766 174.4833 93 G 4.0687 8.1999 111.4340 44.5530 0.0000 174.3404 94 E 5.1408 9.6306 126.8825 54.5821 33.2363 172.7731 95 A 4.6527 9.3300 129.7226 50.6950 20.1868 176.5518 96 V 4.6024 9.1739 122.5359 60.8454 35.5843 175.1831 97 S 4.8793 8.6359 120.5459 57.6084 64.2039 175.0338 98 L 3.9246 8.2011 124.0537 58.1700 41.2626 179.3606 99 E 3.9199 7.9594 118.5266 59.0436 29.2660 179.0374 100 Q 3.8970 8.1480 118.1723 58.4037 28.8982 177.9496 101 A 4.0356 7.9146 121.3331 55.6136 18.2434 179.4664 102 I 3.0533 6.8928 116.4370 64.1575 37.0498 177.9635 103 E 4.1250 7.2094 118.9605 59.0358 29.8314 177.7687 104 N 4.6933 8.2935 113.5484 53.8860 40.3851 175.3376 105 N 4.9641 7.9437 116.7321 52.5184 40.9956 173.0488 106 P 4.7279 0.0000 0.0000 64.9724 32.2466 178.1399 107 E 4.1140 8.5638 118.0803 56.4670 30.4356 175.9048 108 G 3.5947 8.0009 107.6370 46.3163 0.0000 173.0384 109 S 4.5670 8.1864 111.1593 57.5015 66.2953 174.0260 110 H 4.0057 8.3526 116.0747 57.4878 25.9381 174.5235 111 V 4.9559 7.3667 116.0941 59.8294 34.9329 176.3650 112 R 4.4802 8.9264 122.7791 54.4767 32.8271 174.3223 113 V 4.4005 8.4423 127.2202 62.8082 32.2197 175.1442 114 I 4.7828 8.7885 128.2381 59.3784 40.9202 175.9776 115 R 4.1811 8.4434 121.9149 56.3869 29.5301 174.8722 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 1 S 8.33 4.44 0.00 3.99 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 2 K 8.10 4.12 0.00 1.85 1.78 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.39 4.31 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 4 N 7.95 4.45 0.00 2.75 2.71 0.00 0.00 7.23 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 5 P 0.00 4.31 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.48 3.89 0.00 1.92 1.96 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 7 L 8.11 4.01 0.00 1.75 1.82 0.93 0.90 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 8 S 7.98 4.04 0.00 4.07 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 9 S 8.17 4.11 0.00 4.03 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.31 3.87 0.00 1.68 1.81 0.87 0.86 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 11 I 7.72 3.66 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 1.45 1.00 0.91 0.00 0.00 12 A 7.98 4.05 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 13 D 8.27 4.29 0.00 2.76 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 14 L 8.25 3.89 0.00 1.85 1.94 0.92 0.36 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 15 K 7.93 4.02 0.00 2.00 1.87 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.63 7.81 16 S 8.10 4.11 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 17 A 8.00 4.09 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 18 A 7.94 4.22 1.49 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 19 R 7.80 4.13 0.00 1.84 2.01 0.00 3.26 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 20 S 8.00 4.18 0.00 3.95 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 21 S 8.01 4.43 0.00 4.27 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.57 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 23 G 7.33 3.90 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 0.00 0.00 0.00 24 A 8.09 4.54 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.51 3.43 1.59 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 0.64 0.00 0.00 -0.28 0.00 0.00 26 W 7.68 5.04 0.00 3.33 3.27 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 27 G 8.21 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 28 D 8.02 4.32 0.00 3.06 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 29 V 8.76 3.65 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.14 0.00 0.00 30 A 8.32 4.02 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.07 4.15 0.00 2.12 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 2.45 0.00 32 R 7.90 4.06 0.00 1.89 2.03 0.00 3.31 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 33 L 7.76 3.78 0.00 1.65 1.68 0.89 0.87 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 34 E 7.81 4.17 0.00 2.18 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 2.53 0.00 35 K 6.93 4.29 0.00 1.99 1.78 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.59 7.81 36 P 0.00 4.20 0.00 2.16 1.99 0.00 3.63 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 2.12 2.14 0.00 37 R 8.81 3.49 0.00 1.79 1.91 0.00 3.10 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 38 R 7.93 4.00 0.00 1.90 2.06 0.00 3.01 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 39 T 7.89 4.28 4.26 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 0.00 0.00 0.00 1.22 0.00 0.00 40 H 7.80 4.30 0.00 3.25 3.25 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.18 4.21 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.64 4.83 0.00 1.80 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 2.20 2.46 0.00 43 V 8.72 4.43 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 1.01 0.00 0.00 0.94 0.00 0.00 44 N 8.45 5.43 0.00 2.70 2.97 0.00 0.00 7.63 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 45 L 8.65 4.13 0.00 1.86 1.74 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.15 3.63 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 0.00 0.00 0.00 47 R 7.80 4.00 0.00 1.96 2.00 0.00 3.24 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 48 I 7.69 3.77 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.87 0.96 0.00 0.00 49 E 8.16 3.95 0.00 1.92 2.19 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 2.43 2.30 0.00 50 R 7.30 3.88 0.00 1.67 1.32 0.00 2.41 0.00 0.00 2.93 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.28 0.00 51 Y 7.42 4.75 0.00 2.95 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 52 A 7.81 4.69 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.05 4.63 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 7.01 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 54 E 8.59 3.92 0.00 1.99 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 2.50 2.35 0.00 55 D 8.90 4.52 0.00 2.84 2.81 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 56 E 7.70 4.75 0.00 1.97 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 2.22 2.37 0.00 57 T 8.63 4.29 4.31 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 1.36 0.00 0.00 58 V 8.79 4.28 2.15 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 0.84 0.00 0.00 0.98 0.00 0.00 59 V 9.07 4.86 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 1.06 0.00 0.00 1.09 0.00 0.00 60 V 9.14 4.80 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 1.02 0.00 0.00 0.93 0.00 0.00 61 P 0.00 4.65 0.00 2.13 2.23 0.00 3.97 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 62 G 7.00 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 0.00 0.00 0.00 0.00 63 K 9.07 4.86 0.00 1.71 1.57 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.36 7.81 64 V 8.12 4.70 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 1.06 0.00 0.00 0.78 0.00 0.00 65 L 9.69 4.92 0.00 1.63 1.55 0.93 0.73 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 66 G 8.52 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 0.00 0.00 0.00 67 S 8.34 4.49 0.00 4.02 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 68 G 8.98 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 69 V 7.93 4.37 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.50 4.88 0.00 1.60 1.52 1.01 0.73 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 71 Q 9.81 4.50 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.57 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 72 K 8.26 3.94 0.00 1.75 1.77 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.45 1.79 7.81 73 D 8.50 5.35 0.00 2.84 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 74 V 7.72 4.44 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 0.77 0.00 0.00 0.97 0.00 0.00 75 T 8.33 4.92 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 76 V 8.89 4.94 2.33 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 0.96 0.00 0.00 1.03 0.00 0.00 77 A 9.68 5.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.35 5.01 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.41 3.54 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.88 0.00 0.00 80 D 7.16 4.64 0.00 2.78 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.88 5.47 0.00 2.84 2.94 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 82 S 8.90 4.40 0.00 3.96 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 83 G 8.80 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 84 T 7.91 3.95 4.27 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 1.23 0.00 0.00 85 A 7.91 4.02 1.58 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 86 E 8.21 3.66 0.00 1.96 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 2.17 2.03 0.00 87 T 7.26 3.90 4.38 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 1.20 0.00 0.00 88 K 8.13 4.52 0.00 1.93 1.86 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.52 7.81 89 I 8.04 3.76 1.89 0.00 0.00 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 1.57 0.71 0.90 0.00 0.00 90 D 7.57 4.81 0.00 2.63 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 91 Q 7.93 4.19 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.71 0.00 92 V 7.74 4.51 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 0.90 0.00 0.00 1.01 0.00 0.00 93 G 8.20 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 0.00 0.00 0.00 94 E 9.63 5.14 0.00 2.02 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 2.17 2.23 0.00 95 A 9.33 4.65 0.57 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 0.00 0.00 96 V 9.17 4.60 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 1.04 0.00 0.00 0.94 0.00 0.00 97 S 8.64 4.88 0.00 4.11 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 98 L 8.20 3.92 0.00 1.82 1.60 1.02 0.97 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 99 E 7.96 3.92 0.00 2.01 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 2.28 2.31 0.00 100 Q 8.15 3.90 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 7.91 4.04 1.41 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 0.00 102 I 6.89 3.05 1.53 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.17 -0.12 0.62 0.00 0.00 103 E 7.21 4.12 0.00 1.74 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 2.30 2.32 0.00 104 N 8.29 4.69 0.00 2.77 2.88 0.00 0.00 6.85 7.88 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 0.00 105 N 7.94 4.96 0.00 2.89 2.98 0.00 0.00 6.85 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 0.00 106 P 0.00 4.73 0.00 2.31 2.33 0.00 3.90 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 2.06 2.04 0.00 107 E 8.56 4.11 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 2.41 2.40 0.00 108 G 8.00 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 0.00 109 S 8.19 4.57 0.00 3.95 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 0.00 110 H 8.35 4.01 0.00 3.35 3.36 0.00 5.55 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 0.00 111 V 7.37 4.96 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 0.47 0.00 0.00 0.83 0.00 0.00 112 R 8.93 4.48 0.00 2.17 1.80 0.00 3.14 0.00 0.00 3.08 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 113 V 8.44 4.40 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 0.86 0.00 0.00 0.88 0.00 0.00 114 I 8.79 4.78 1.91 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 1.49 1.17 0.99 0.00 0.00 115 R 8.44 4.18 0.00 1.85 1.81 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00