NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3790 8.3349 115.4125 58.0011 64.0857 172.7199 2 K 4.2872 8.4761 125.4475 54.3176 33.0379 175.2150 3 T 3.9783 8.7548 121.8913 66.2945 68.9365 174.7261 4 N 4.4250 8.0400 120.1027 53.2611 39.1777 173.4973 5 P 4.5796 0.0000 0.0000 64.3775 31.9516 177.9214 6 R 4.2664 8.1935 115.5881 57.0230 30.3375 177.9072 7 L 4.1466 7.8248 120.2898 57.5060 41.8987 178.3160 8 S 4.2400 7.5670 111.7765 60.9076 62.6263 176.6650 9 S 4.2112 7.5887 117.4315 61.0416 62.7581 176.1028 10 L 3.8758 7.6548 122.5548 58.2885 41.7981 179.1398 11 I 3.6712 7.8808 119.3968 64.3912 37.1573 178.3444 12 A 4.0273 7.6300 120.6124 55.1900 17.8096 179.4274 13 D 4.3347 8.3355 117.8169 57.2668 40.6807 178.9288 14 L 3.9761 7.9541 119.2296 57.3470 41.7913 179.3079 15 K 4.1797 8.1044 118.8410 59.4807 31.9736 179.3848 16 S 4.1571 8.0678 112.7195 61.0348 61.8267 175.7836 17 A 4.1584 7.9084 122.6029 54.1612 18.0064 178.8551 18 A 4.0917 7.7255 117.9446 53.9030 18.7135 178.4778 19 R 4.3636 7.6346 115.1642 58.4267 31.3256 178.6352 20 S 4.0021 8.5500 114.8909 61.5751 63.2483 173.7794 21 S 4.9963 7.6691 116.7044 57.0012 65.7497 173.7505 22 G 4.1276 8.5409 108.6372 46.0686 0.0000 174.1484 23 G 3.8274 7.4500 108.5901 44.1555 0.0000 174.4259 24 A 4.6371 8.2275 123.1417 50.9380 20.8514 177.1713 25 V 4.0567 7.3037 109.2837 62.7997 33.1277 178.0266 26 W 4.8576 7.7781 118.0992 59.6514 28.8340 178.3356 27 G 3.7819 8.1367 105.0467 47.0655 0.0000 175.2648 28 D 4.4102 7.9261 119.8748 56.9798 41.3435 178.3323 29 V 3.7015 8.3787 119.2765 65.7908 31.4809 177.9470 30 A 4.0960 8.0511 119.9813 54.9106 17.9558 179.2582 31 E 4.0499 7.8600 115.8791 58.6465 29.4885 178.4059 32 R 4.2839 7.4736 117.3047 57.7552 30.2168 178.0274 33 L 3.7612 7.6182 118.1013 57.4029 41.7496 178.6527 34 E 4.1242 7.8899 117.7882 57.9962 29.7760 177.8472 35 K 4.2227 7.0361 117.5234 55.0201 32.9916 174.9030 36 P 4.2290 0.0000 0.0000 62.5450 32.1297 177.6633 37 R 3.6095 8.5058 119.5680 58.8135 30.1544 179.0857 38 R 4.1366 7.8533 113.3117 58.0450 29.9107 177.1567 39 T 4.3258 7.6580 107.2164 61.9634 69.5204 174.8745 40 H 4.3661 7.3822 118.2268 55.4969 29.4413 174.8684 41 A 4.1077 8.2681 123.8692 52.2918 19.0820 176.6657 42 E 4.8195 8.8791 123.1514 55.0501 30.4218 175.4342 43 V 4.5099 8.4492 117.2734 59.4198 35.5012 175.8804 44 N 5.4710 8.4808 121.3420 51.3004 40.4252 176.0492 45 L 3.9986 8.4254 118.2307 57.8481 41.7971 179.7224 46 G 3.7790 7.6793 105.9834 47.4052 0.0000 174.3389 47 R 4.3595 7.5542 118.9053 57.9463 31.0686 178.0230 48 I 3.8991 7.5442 119.2254 63.9713 36.9567 177.6634 49 E 4.0096 8.1514 119.7703 58.7911 29.5151 178.3216 50 R 3.8570 7.7621 117.7467 58.3366 30.3924 176.2501 51 Y 4.7336 7.6988 112.7204 57.5456 39.2410 175.3311 52 A 4.6870 7.7109 122.7307 50.5840 20.6519 176.2316 53 Q 4.7132 8.1725 121.4551 53.8950 31.4531 175.2911 54 E 4.2416 8.4744 122.1357 57.5819 30.1210 176.5413 55 D 4.4446 8.8471 119.3827 54.9000 38.3515 173.1554 56 E 4.7539 7.6604 119.4097 54.4353 32.1049 175.6147 57 T 4.2483 8.5045 124.9607 63.8169 70.0092 173.6248 58 V 4.5938 8.7834 126.6927 61.6955 33.4345 174.4947 59 V 4.9201 9.3766 129.1143 61.2039 33.6951 174.1655 60 V 4.9408 9.2400 128.5688 58.9585 33.4113 174.3571 61 P 4.7164 0.0000 0.0000 61.4421 32.2302 174.7947 62 G 4.2871 6.5276 114.4525 47.1337 0.0000 172.7897 63 K 4.8521 8.8291 126.3654 54.3227 35.2162 174.4806 64 V 4.7298 8.1702 126.2728 61.4252 33.5325 175.1112 65 L 4.9887 9.0923 127.9968 52.7229 44.9153 176.4239 66 G 4.5547 8.2967 105.4706 46.0496 0.0000 173.4115 67 S 4.6806 8.5451 115.1619 57.7443 64.5798 174.5614 68 G 3.8119 9.0895 112.2493 44.9975 0.0000 172.0585 69 V 4.3492 7.7971 117.3189 60.6742 33.4059 174.4133 70 L 4.8516 8.3532 126.7315 53.4962 44.1383 175.8197 71 Q 4.5635 9.5475 124.2319 55.9473 31.0280 176.4860 72 K 4.2063 8.1365 116.4158 56.2116 33.2800 176.9335 73 D 5.3317 8.1938 121.9306 52.4625 39.6805 175.9269 74 V 4.3359 7.2434 115.2055 60.2696 34.9887 176.7965 75 T 4.7721 8.3737 120.7648 62.2113 69.7234 173.8066 76 V 4.6033 8.3744 126.8623 62.1029 33.6540 174.7022 77 A 5.9400 9.7301 127.7612 49.4086 22.3360 175.0440 78 A 4.9191 8.2834 122.6330 49.9656 22.9549 176.8711 79 V 3.5412 8.4354 118.4332 65.9403 31.8993 175.8775 80 D 4.8757 7.5392 117.6612 52.8176 44.9749 173.5726 81 F 5.4415 8.6552 120.1053 55.5182 43.0030 174.9529 82 S 4.4921 9.1136 116.7991 57.7453 63.9602 175.5932 83 G 3.8157 8.9968 108.2732 48.0826 0.0000 175.5328 84 T 4.2102 7.8736 116.4871 65.2339 68.9975 176.8899 85 A 3.9953 7.7603 122.5406 55.3137 18.5575 179.2884 86 E 3.7237 8.2185 117.6616 59.5525 29.1176 179.3142 87 T 3.8907 7.3398 115.9579 66.4663 68.4192 176.9007 88 K 3.8602 8.0147 118.5194 58.4015 32.3669 179.0279 89 I 4.0756 7.7339 120.4633 63.8373 37.3991 177.3904 90 D 4.7741 7.6553 117.9399 55.3784 40.6331 177.7465 91 Q 4.2538 7.4094 120.2038 57.9951 29.5085 176.2437 92 V 4.6365 8.2624 113.3354 59.3685 33.8084 175.6649 93 G 4.2749 7.3228 108.4918 46.1338 0.0000 172.9960 94 E 4.8493 8.1686 124.6210 54.7482 33.2510 174.4772 95 A 4.3283 8.9270 130.2048 50.8496 19.4645 176.2178 96 V 4.5023 8.5570 122.7647 61.4299 34.4583 175.5947 97 S 4.8264 8.6356 121.7895 57.8670 63.4919 175.0259 98 L 3.8909 8.5612 124.3016 58.0252 41.4900 179.0723 99 E 3.6323 7.9943 116.8300 58.3754 29.7042 178.4745 100 Q 4.1147 8.0316 118.4927 58.5822 29.3430 177.8803 101 A 4.0237 7.9550 120.9069 55.0588 17.9797 179.5076 102 I 3.2278 6.6565 117.5235 63.9593 37.2421 177.5487 103 E 4.1408 7.9063 118.6824 58.5732 29.7925 177.4520 104 N 4.6947 8.2599 114.8271 54.0969 40.4734 175.3460 105 N 5.1144 7.9547 117.8667 52.2689 40.4556 173.1644 106 P 4.7061 0.0000 0.0000 65.4123 32.3372 178.4512 107 E 3.9965 8.4574 118.6724 56.9925 30.3118 175.9828 108 G 3.4006 8.0103 106.5545 46.2884 0.0000 172.6965 109 S 4.5689 8.4333 112.0095 57.1075 66.4734 173.9749 110 H 4.0302 8.3072 115.6000 57.0967 26.0797 175.1065 111 V 4.7702 7.3441 115.9845 59.9741 34.2501 175.8681 112 R 4.4515 8.8470 125.7620 54.8172 32.0761 174.9565 113 V 4.6323 8.3137 126.0694 61.7418 32.4361 174.6497 114 I 4.7139 8.5551 129.5090 59.4060 40.0992 176.4763 115 R 4.1684 8.2964 121.5381 56.5777 29.2674 174.7223 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 4.38 0.00 3.99 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 2 K 8.48 4.29 0.00 1.84 1.79 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.37 1.48 7.81 3 T 8.75 3.98 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 8.04 4.42 0.00 2.72 2.69 0.00 0.00 7.20 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 4.58 0.00 2.19 2.06 0.00 3.63 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 2.07 2.16 0.00 6 R 8.19 4.27 0.00 1.99 1.94 0.00 3.11 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 7 L 7.82 4.15 0.00 1.75 1.65 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.57 4.24 0.00 4.09 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 9 S 7.59 4.21 0.00 3.87 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 7.65 3.88 0.00 1.77 1.89 0.82 1.21 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 11 I 7.88 3.67 1.87 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 0.75 0.92 0.00 0.00 12 A 7.63 4.03 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 13 D 8.34 4.33 0.00 2.83 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 7.95 3.98 0.00 1.81 1.98 0.93 0.87 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 15 K 8.10 4.18 0.00 2.00 1.87 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.61 7.81 16 S 8.07 4.16 0.00 3.92 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 17 A 7.91 4.16 1.46 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 18 A 7.73 4.09 1.46 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 19 R 7.63 4.36 0.00 1.87 1.95 0.00 3.15 0.00 0.00 3.35 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 20 S 8.55 4.00 0.00 3.97 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 21 S 7.67 5.00 0.00 4.16 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 22 G 8.54 4.13 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 0.00 23 G 7.45 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 0.00 0.00 0.00 24 A 8.23 4.64 1.17 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 25 V 7.30 4.06 1.66 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 0.63 0.00 0.00 -0.06 0.00 0.00 26 W 7.78 4.86 0.00 3.30 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 27 G 8.14 3.78 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 0.00 0.00 0.00 28 D 7.93 4.41 0.00 2.91 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 29 V 8.38 3.70 2.29 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 1.03 0.00 0.00 1.12 0.00 0.00 30 A 8.05 4.10 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 7.86 4.05 0.00 2.19 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 2.35 2.45 0.00 32 R 7.47 4.28 0.00 2.05 2.06 0.00 3.32 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 33 L 7.62 3.76 0.00 1.82 1.69 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.89 4.12 0.00 1.92 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 2.36 2.59 0.00 35 K 7.04 4.22 0.00 1.98 1.76 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.57 7.81 36 P 0.00 4.23 0.00 2.14 1.98 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 37 R 8.51 3.61 0.00 1.80 1.92 0.00 3.09 0.00 0.00 3.36 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 38 R 7.85 4.14 0.00 1.90 2.04 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 1.57 1.60 0.00 39 T 7.66 4.33 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 1.21 0.00 0.00 40 H 7.38 4.37 0.00 3.33 3.24 0.00 5.67 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 8.27 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.88 4.82 0.00 1.84 1.91 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 2.21 2.31 0.00 43 V 8.45 4.51 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 0.72 0.00 0.00 0.93 0.00 0.00 44 N 8.48 5.47 0.00 2.77 3.03 0.00 0.00 7.64 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 8.43 4.00 0.00 1.73 1.73 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.68 3.78 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 0.00 0.00 0.00 47 R 7.55 4.36 0.00 2.06 1.98 0.00 3.24 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.90 0.00 48 I 7.54 3.90 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.00 0.97 0.00 0.00 49 E 8.15 4.01 0.00 1.99 1.93 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 2.40 2.31 0.00 50 R 7.76 3.86 0.00 1.68 1.24 0.00 2.54 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.36 0.00 51 Y 7.70 4.73 0.00 3.03 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.71 4.69 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 53 Q 8.17 4.71 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 54 E 8.47 4.24 0.00 2.01 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 2.34 0.00 55 D 8.85 4.44 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 4.75 0.00 2.01 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 2.23 2.37 0.00 57 T 8.50 4.25 4.33 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 1.34 0.00 0.00 58 V 8.78 4.59 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 0.91 0.00 0.00 0.99 0.00 0.00 59 V 9.38 4.92 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 1.06 0.00 0.00 1.27 0.00 0.00 60 V 9.24 4.94 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 0.93 0.00 0.00 0.97 0.00 0.00 61 P 0.00 4.72 0.00 2.22 2.22 0.00 3.97 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 62 G 6.53 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 0.00 0.00 0.00 0.00 63 K 8.83 4.85 0.00 1.73 1.59 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.30 7.81 64 V 8.17 4.73 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 1.18 0.00 0.00 0.84 0.00 0.00 65 L 9.09 4.99 0.00 1.83 1.59 0.93 0.70 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 66 G 8.30 4.55 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 0.00 67 S 8.55 4.68 0.00 3.99 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 9.09 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 69 V 7.80 4.35 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 0.83 0.00 0.00 0.93 0.00 0.00 70 L 8.35 4.85 0.00 1.58 1.50 1.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.55 4.56 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 72 K 8.14 4.21 0.00 1.75 1.74 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.75 7.81 73 D 8.19 5.33 0.00 2.61 2.80 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 74 V 7.24 4.34 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 0.81 0.00 0.00 0.96 0.00 0.00 75 T 8.37 4.77 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 1.25 0.00 0.00 76 V 8.37 4.60 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.02 0.00 0.00 77 A 9.73 5.94 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 78 A 8.28 4.92 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 79 V 8.44 3.54 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 0.69 0.00 0.00 0.85 0.00 0.00 80 D 7.54 4.88 0.00 2.75 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.66 5.44 0.00 2.89 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 82 S 9.11 4.49 0.00 3.94 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 83 G 9.00 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 84 T 7.87 4.21 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 85 A 7.76 4.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 3.72 0.00 1.95 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 2.20 2.14 0.00 87 T 7.34 3.89 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 1.20 0.00 0.00 88 K 8.01 3.86 0.00 1.96 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.60 7.81 89 I 7.73 4.08 1.77 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.12 0.87 0.00 0.00 90 D 7.66 4.77 0.00 2.69 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 7.41 4.25 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 7.43 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 92 V 8.26 4.64 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 93 G 7.32 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 0.00 0.00 0.00 0.00 94 E 8.17 4.85 0.00 1.98 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 2.16 2.22 0.00 95 A 8.93 4.33 0.59 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 96 V 8.56 4.50 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 1.09 0.00 0.00 1.02 0.00 0.00 97 S 8.64 4.83 0.00 4.10 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.56 3.89 0.00 1.90 1.61 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.99 3.63 0.00 1.94 1.93 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 2.24 2.32 0.00 100 Q 8.03 4.11 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 101 A 7.96 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 6.66 3.23 1.58 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 -0.24 0.76 0.00 0.00 103 E 7.91 4.14 0.00 1.91 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 2.27 2.38 0.00 104 N 8.26 4.69 0.00 2.75 2.90 0.00 0.00 6.75 8.31 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 0.00 105 N 7.95 5.11 0.00 2.89 3.21 0.00 0.00 6.79 7.14 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 0.00 106 P 0.00 4.71 0.00 2.30 2.34 0.00 3.90 0.00 0.00 3.98 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 8.46 4.00 0.00 2.13 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 2.38 0.00 108 G 8.01 3.40 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 0.00 109 S 8.43 4.57 0.00 3.80 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 4.03 0.00 3.32 3.34 0.00 5.56 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.34 4.77 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 0.39 0.00 0.00 0.93 0.00 0.00 112 R 8.85 4.45 0.00 2.24 1.84 0.00 3.11 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 113 V 8.31 4.63 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 0.92 0.00 0.00 0.88 0.00 0.00 114 I 8.56 4.71 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.47 0.99 0.00 0.00 115 R 8.30 4.17 0.00 1.85 1.82 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 1.47 1.61 0.00