NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4074 8.3349 115.4127 57.3455 63.1361 172.1969 2 K 3.6776 8.4698 126.4189 56.9114 32.2579 175.5668 3 T 4.1550 8.5872 118.4562 63.2631 69.3653 174.3291 4 N 4.5029 7.9836 120.5281 52.5936 39.8376 173.3731 5 P 4.2774 0.0000 0.0000 65.8722 31.4621 178.8810 6 R 3.9874 8.3439 116.9079 58.9121 29.9890 178.7974 7 L 3.9270 8.0348 119.9215 57.9351 42.2646 178.7438 8 S 4.0584 7.9422 112.7415 61.4708 62.2825 176.3897 9 S 4.0714 7.9258 117.7234 61.4555 62.6331 176.0828 10 L 3.8691 8.0645 123.3111 58.5875 41.7511 179.1854 11 I 3.7429 7.7237 119.0589 64.3941 37.0023 178.3618 12 A 4.0469 7.8605 121.1563 55.1093 18.1404 179.4074 13 D 4.3205 8.2722 117.7258 57.1859 40.9702 178.8887 14 L 3.8960 8.3867 119.9960 57.6056 41.5560 179.6902 15 K 3.9452 8.1286 118.3432 59.6583 32.1139 179.0517 16 S 4.0690 8.0873 113.0901 61.7293 61.7285 176.3630 17 A 4.0395 8.1071 122.9705 55.1473 17.9519 179.5342 18 A 4.7897 7.8389 119.3995 54.2531 18.4469 179.7173 19 R 4.2036 7.9125 116.0503 59.5307 30.7322 178.7357 20 S 4.2610 8.3525 114.1233 61.3882 63.1528 176.9752 21 S 4.6806 7.8876 117.5165 57.5232 65.7297 174.5354 22 G 3.7136 8.6289 110.2555 47.1303 0.0000 174.3792 23 G 3.8344 7.5899 109.3771 45.8293 0.0000 173.7255 24 A 4.6599 8.2998 124.1852 51.4361 21.0177 177.9933 25 V 3.8298 7.2278 109.1262 63.1617 31.9648 178.1693 26 W 4.8524 7.5368 118.4171 60.1279 29.1196 178.7060 27 G 3.9226 8.2369 104.8089 47.5129 0.0000 175.1320 28 D 4.3486 7.5528 120.7729 57.2829 41.2793 178.5061 29 V 3.6198 8.5413 119.1740 65.7277 31.5205 177.8288 30 A 4.0241 8.6220 121.1022 55.3303 18.0248 179.4924 31 E 4.1230 7.8800 115.4685 59.5310 29.3952 179.2742 32 R 4.0820 7.7349 118.7877 59.1259 29.9060 178.5180 33 L 3.8581 7.7887 118.3543 57.5403 41.6781 178.9365 34 E 4.1539 8.1000 117.7604 57.9913 29.5408 177.6821 35 K 4.3066 6.9320 117.2695 54.8155 33.1541 174.8775 36 P 4.3128 0.0000 0.0000 62.9850 31.9073 177.9963 37 R 3.4946 8.5781 120.2475 59.1517 30.2099 179.3768 38 R 3.8669 7.9125 113.4578 58.9908 29.4139 177.3438 39 T 4.2386 7.6291 106.5473 62.2523 69.2878 174.6659 40 H 4.5152 7.9868 119.8293 55.4762 29.6132 174.5824 41 A 4.2405 8.3197 123.4341 52.0655 19.5885 176.7206 42 E 4.8078 8.8033 121.4986 54.2305 30.9909 173.8790 43 V 4.3449 8.7155 123.7939 61.0245 33.9694 174.9566 44 N 5.6574 8.5413 124.1895 51.4829 40.1936 176.0232 45 L 4.1429 8.5892 120.0087 58.1055 41.1703 179.9257 46 G 3.7081 8.0943 105.5406 47.8214 0.0000 175.1870 47 R 4.0556 7.9490 119.3994 58.2885 30.1557 178.3969 48 I 3.9897 7.8739 120.1047 64.0582 37.0569 177.6200 49 E 3.9671 8.0707 118.8821 59.3020 29.5572 178.4287 50 R 3.8555 7.4488 117.2428 58.6849 30.1614 176.5460 51 Y 4.7565 7.2712 112.6621 58.3802 39.7747 176.0439 52 A 4.4342 8.2619 122.6878 51.8561 19.2209 176.3659 53 Q 4.6322 8.0852 115.9712 54.2107 30.7250 174.8285 54 E 4.0198 8.7426 119.2581 58.0304 30.0496 176.5781 55 D 4.2594 8.7174 118.5823 54.8517 38.3778 174.2803 56 E 4.4890 7.6148 118.0081 55.1675 31.7519 174.4981 57 T 4.1538 8.4156 124.5170 64.0518 69.9005 173.6852 58 V 4.3903 8.8306 127.0421 62.1709 32.9694 174.6556 59 V 4.7383 8.8376 129.3580 61.4046 33.0148 174.4411 60 V 4.8954 9.1215 129.1377 58.9302 33.5353 174.7575 61 P 4.6873 0.0000 0.0000 61.3846 32.0423 175.3096 62 G 4.1460 6.4077 117.5710 46.8166 0.0000 174.1561 63 K 4.8418 9.3824 126.8318 54.1818 35.8414 173.6720 64 V 4.7622 8.0195 125.2313 61.4202 33.6594 174.7671 65 L 4.9518 9.1997 127.6965 52.5786 44.9976 176.1992 66 G 4.1900 8.4397 106.1997 47.0115 0.0000 173.9822 67 S 4.4861 8.2292 116.9356 58.7015 64.5456 175.7725 68 G 4.1008 8.7980 111.1349 44.9432 0.0000 172.3420 69 V 4.3680 7.9598 117.0099 60.6484 33.7049 174.6052 70 L 4.8220 8.3712 126.7670 53.5609 44.0533 175.6162 71 Q 4.4721 9.3598 125.3917 56.7706 30.5512 176.9747 72 K 4.0275 8.1645 116.4315 56.8696 32.6152 177.0110 73 D 5.0451 8.5338 123.5235 52.4263 39.7933 175.0777 74 V 4.4575 7.7623 115.1060 59.2988 36.2801 174.9476 75 T 4.8751 8.3775 119.5603 62.3937 69.9229 173.7134 76 V 4.6477 8.5550 127.8702 61.6136 33.4232 174.4034 77 A 5.9400 10.0408 130.2780 49.5594 21.3330 174.9021 78 A 4.9711 8.3740 122.6449 49.1038 22.8369 176.8023 79 V 3.5410 7.9785 118.9468 66.1203 32.2340 175.6522 80 D 4.7358 7.3806 117.1221 53.1888 44.6967 173.8782 81 F 5.4028 8.5807 120.1348 55.4196 42.9195 175.1778 82 S 4.3749 9.1738 117.0903 58.0221 64.1429 175.5545 83 G 3.6920 8.9162 107.5861 48.5220 0.0000 176.1458 84 T 3.8934 7.9069 117.7677 65.9805 68.5456 176.3057 85 A 4.0274 8.2614 123.0028 55.5189 18.4596 179.3609 86 E 3.6618 8.3386 117.4045 59.5710 29.3923 179.2426 87 T 3.8591 7.4825 115.0266 66.5251 68.3282 176.6174 88 K 4.1358 8.3729 120.7823 59.3214 31.9495 179.6003 89 I 3.7101 7.8735 120.0959 64.5899 36.9172 178.2773 90 D 4.2314 7.6916 119.0887 56.4440 40.5707 178.6536 91 Q 4.1232 7.6110 117.7300 58.3407 28.9049 177.3800 92 V 4.3799 7.8262 111.5594 61.6508 34.7499 174.5847 93 G 4.2174 8.7452 112.1444 44.3426 0.0000 173.2232 94 E 4.9709 9.4233 125.9334 54.4587 33.0618 173.9731 95 A 4.6405 9.0052 130.0923 51.0305 19.5623 176.5286 96 V 4.6100 9.0167 123.0621 60.9538 35.3706 175.3125 97 S 5.0561 8.7424 119.8354 57.5856 64.3367 175.0578 98 L 3.9316 8.1847 123.7721 58.2612 41.3030 179.3621 99 E 3.9201 8.0424 118.2062 58.8993 29.4720 179.0663 100 Q 3.9134 7.9739 118.1454 58.7550 28.8672 177.9490 101 A 4.0363 7.9629 121.9055 55.6385 18.1413 179.7357 102 I 2.9519 6.8328 116.1910 64.2412 37.1106 178.0516 103 E 4.0172 7.4959 118.7275 59.2496 29.5393 178.3053 104 N 4.5931 8.1243 115.6190 54.7559 40.3767 175.2034 105 N 5.1536 8.6166 118.3192 51.0512 38.5834 172.8728 106 P 4.4964 0.0000 0.0000 65.3592 32.1702 178.5884 107 E 4.1973 8.5429 116.9992 55.9838 30.2312 176.0066 108 G 3.6194 8.1481 108.0093 46.2070 0.0000 173.3583 109 S 4.5182 8.2287 111.0285 57.6560 65.5792 173.9384 110 H 3.9775 8.4374 116.9856 56.3972 25.5604 174.1804 111 V 4.7865 7.1523 116.5530 60.1838 34.9450 175.6835 112 R 4.4863 8.9298 125.6894 54.4315 31.8750 175.0071 113 V 4.3681 8.3347 127.0605 62.7708 32.3309 175.1105 114 I 4.8162 9.0318 128.4760 59.4212 41.0899 175.9490 115 R 4.1838 8.4104 121.6088 56.4808 29.4571 174.7652 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 4.41 0.00 3.99 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 2 K 8.47 3.68 0.00 1.85 1.83 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.46 1.45 7.81 3 T 8.59 4.16 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 7.98 4.50 0.00 2.80 2.69 0.00 0.00 7.24 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 4.28 0.00 2.19 2.08 0.00 3.64 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 6 R 8.34 3.99 0.00 1.98 1.96 0.00 3.12 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 7 L 8.03 3.93 0.00 1.75 1.84 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.94 4.06 0.00 3.96 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 9 S 7.93 4.07 0.00 4.06 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 8.06 3.87 0.00 1.70 1.92 0.84 1.38 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 11 I 7.72 3.74 2.02 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 0.83 0.92 0.00 0.00 12 A 7.86 4.05 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 8.27 4.32 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 8.39 3.90 0.00 1.84 1.91 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.13 3.95 0.00 2.01 1.87 0.00 1.70 0.00 0.00 1.59 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 8.09 4.07 0.00 3.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 4.04 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 18 A 7.84 4.79 1.53 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 0.00 0.00 0.00 19 R 7.91 4.20 0.00 1.82 2.00 0.00 3.19 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 20 S 8.35 4.26 0.00 3.89 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 21 S 7.89 4.68 0.00 4.22 4.02 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 22 G 8.63 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 0.00 0.00 0.00 23 G 7.59 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 8.30 4.66 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 25 V 7.23 3.83 1.73 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 0.61 0.00 0.00 -0.35 0.00 0.00 26 W 7.54 4.85 0.00 3.35 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 27 G 8.24 3.92 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 0.00 0.00 0.00 28 D 7.55 4.35 0.00 3.04 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 8.54 3.62 2.42 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 1.03 0.00 0.00 1.10 0.00 0.00 30 A 8.62 4.02 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 31 E 7.88 4.12 0.00 2.16 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 0.00 2.36 2.55 0.00 32 R 7.73 4.08 0.00 1.90 2.05 0.00 3.38 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 33 L 7.79 3.86 0.00 1.82 1.69 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.10 4.15 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 2.55 0.00 35 K 6.93 4.31 0.00 2.01 1.77 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.69 7.81 36 P 0.00 4.31 0.00 2.15 1.97 0.00 3.61 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 2.12 0.00 37 R 8.58 3.49 0.00 1.79 1.90 0.00 3.11 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 38 R 7.91 3.87 0.00 1.90 2.05 0.00 3.02 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 39 T 7.63 4.24 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 7.99 4.52 0.00 3.26 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 8.32 4.24 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 42 E 8.80 4.81 0.00 1.82 1.88 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 2.20 2.27 0.00 43 V 8.72 4.34 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 1.01 0.00 0.00 0.95 0.00 0.00 44 N 8.54 5.66 0.00 2.81 2.92 0.00 0.00 7.62 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 8.59 4.14 0.00 1.87 1.74 0.94 0.85 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 46 G 8.09 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 0.00 0.00 0.00 47 R 7.95 4.06 0.00 1.96 2.08 0.00 3.18 0.00 0.00 3.39 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 48 I 7.87 3.99 2.02 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 1.47 0.46 0.96 0.00 0.00 49 E 8.07 3.97 0.00 1.99 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 2.37 2.38 0.00 50 R 7.45 3.86 0.00 1.67 1.31 0.00 2.21 0.00 0.00 2.82 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.34 0.00 51 Y 7.27 4.76 0.00 3.07 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 8.26 4.43 1.30 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 0.00 0.00 0.00 53 Q 8.09 4.63 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 54 E 8.74 4.02 0.00 2.06 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 2.53 2.36 0.00 55 D 8.72 4.26 0.00 2.82 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 56 E 7.61 4.49 0.00 1.94 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 0.00 2.24 2.32 0.00 57 T 8.42 4.15 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 1.37 0.00 0.00 58 V 8.83 4.39 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 0.97 0.00 0.00 0.99 0.00 0.00 59 V 8.84 4.74 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 1.06 0.00 0.00 1.16 0.00 0.00 60 V 9.12 4.90 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 1.10 0.00 0.00 0.96 0.00 0.00 61 P 0.00 4.69 0.00 2.23 2.22 0.00 4.02 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 62 G 6.41 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 0.00 0.00 0.00 0.00 63 K 9.38 4.84 0.00 1.69 1.56 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.32 7.81 64 V 8.02 4.76 2.22 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 1.18 0.00 0.00 0.89 0.00 0.00 65 L 9.20 4.95 0.00 1.85 1.55 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.44 4.19 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 0.00 67 S 8.23 4.49 0.00 3.96 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 8.80 4.10 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 0.00 0.00 0.00 69 V 7.96 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 0.83 0.00 0.00 0.93 0.00 0.00 70 L 8.37 4.82 0.00 1.58 1.51 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.36 4.47 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 72 K 8.16 4.03 0.00 1.75 1.76 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.45 1.78 7.81 73 D 8.53 5.05 0.00 2.83 2.75 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 0.00 0.00 0.00 74 V 7.76 4.46 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 0.90 0.00 0.00 1.01 0.00 0.00 75 T 8.38 4.88 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 8.56 4.65 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 1.12 0.00 0.00 1.02 0.00 0.00 77 A 10.04 5.94 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 78 A 8.37 4.97 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 7.98 3.54 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 0.69 0.00 0.00 0.87 0.00 0.00 80 D 7.38 4.74 0.00 2.67 2.37 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 81 F 8.58 5.40 0.00 2.88 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 82 S 9.17 4.37 0.00 3.93 4.18 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 83 G 8.92 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3.89 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 8.26 4.03 1.57 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 86 E 8.34 3.66 0.00 1.96 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 2.16 2.00 0.00 87 T 7.48 3.86 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 8.37 4.14 0.00 1.92 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 89 I 7.87 3.71 1.76 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.08 0.87 0.00 0.00 90 D 7.69 4.23 0.00 2.67 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 7.61 4.12 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 92 V 7.83 4.38 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 0.86 0.00 0.00 0.96 0.00 0.00 93 G 8.75 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 0.00 0.00 0.00 0.00 94 E 9.42 4.97 0.00 2.00 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 2.15 2.21 0.00 95 A 9.01 4.64 0.56 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 96 V 9.02 4.61 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 1.11 0.00 0.00 1.03 0.00 0.00 97 S 8.74 5.06 0.00 4.10 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 98 L 8.18 3.93 0.00 1.84 1.63 1.02 1.02 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 99 E 8.04 3.92 0.00 2.05 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 2.34 2.37 0.00 100 Q 7.97 3.91 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 101 A 7.96 4.04 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 0.00 102 I 6.83 2.95 1.49 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 -0.30 -0.21 0.55 0.00 0.00 103 E 7.50 4.02 0.00 1.90 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 2.30 2.32 0.00 104 N 8.12 4.59 0.00 2.78 2.89 0.00 0.00 6.77 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 0.00 105 N 8.62 5.15 0.00 2.84 3.07 0.00 0.00 6.98 7.62 0.00 0.00 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 4.50 0.00 2.33 2.33 0.00 3.91 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.03 0.00 107 E 8.54 4.20 0.00 2.16 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 0.00 2.41 2.49 0.00 108 G 8.15 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.52 0.00 4.01 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 0.00 110 H 8.44 3.98 0.00 3.34 3.35 0.00 5.60 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.15 4.79 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 0.39 0.00 0.00 0.91 0.00 0.00 112 R 8.93 4.49 0.00 2.21 1.83 0.00 3.10 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 113 V 8.33 4.37 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 0.86 0.00 0.00 0.86 0.00 0.00 114 I 9.03 4.82 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.09 0.99 0.00 0.00 115 R 8.41 4.18 0.00 1.85 1.81 0.00 3.05 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00