NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4639 8.3049 120.3455 54.9427 33.4326 175.1646 2 E 3.8673 8.3758 125.1452 56.5008 30.3609 176.5522 3 H 4.7285 8.5063 121.5241 54.3769 28.3243 174.0136 4 V 4.3052 7.3912 117.8583 60.7116 34.7708 174.5023 5 A 4.4937 8.3971 129.9682 50.6400 19.8060 176.0486 6 F 2.8994 8.5816 123.5972 59.7695 39.5270 175.6733 7 G 3.5452 7.5338 115.0371 45.1201 0.0000 173.5941 8 S 4.1278 7.2883 114.7014 57.7375 63.5486 175.0231 9 E 3.8989 8.8287 123.8026 58.8585 29.9009 177.1590 10 D 5.0224 7.5956 117.8039 52.9992 41.9510 177.5004 11 I 3.5158 7.5458 121.5631 64.3111 37.8738 176.2792 12 E 4.0155 8.0398 116.9290 59.2266 29.6612 178.5505 13 N 4.5284 8.1923 117.7122 56.5301 38.4296 177.4503 14 T 3.8635 7.8048 116.6313 66.6046 68.5916 176.1672 15 L 4.1071 8.0768 119.5167 56.4183 41.5326 178.8872 16 A 4.2521 7.6387 120.7641 54.2735 18.3584 178.7092 17 K 4.2658 7.5874 115.2153 56.9437 33.4788 176.7001 18 M 5.2367 7.5657 120.4269 54.1462 32.8532 176.6929 19 D 4.7411 8.6888 123.8423 52.3485 42.6154 176.5871 20 D 4.4487 8.6856 117.6087 57.7551 40.8274 178.3792 21 G 3.6516 8.0138 104.3688 47.6920 0.0000 175.3510 22 Q 4.2052 8.0800 119.9932 58.8703 28.9363 178.4315 23 L 3.9048 8.1544 121.4460 58.2215 41.8815 178.4861 24 D 4.6135 7.9795 117.2026 56.0891 41.0522 177.7711 25 G 3.8050 8.0133 105.6940 44.2400 0.0000 173.8229 26 L 4.0876 6.8318 120.5122 54.2743 42.0454 177.2929 27 A 4.1894 8.0921 123.5961 53.5831 18.7266 177.0878 28 F 5.1358 6.7540 109.5002 54.3922 41.6885 174.9279 29 G 4.0539 9.5022 106.9516 45.9305 0.0000 172.7152 30 A 5.4902 9.3409 124.4704 50.3221 22.7252 175.0215 31 I 4.9956 8.9617 123.3704 59.4765 41.0050 174.3524 32 Q 4.5796 8.7888 127.7053 54.0672 31.4008 174.1642 33 L 5.3178 8.7924 126.2452 52.8563 45.6651 176.5213 34 D 4.9468 8.8543 121.9344 52.4082 40.9004 177.3495 35 G 3.7741 8.8080 107.0652 48.1546 0.0000 174.1705 36 D 4.6911 8.4360 117.8650 54.7432 41.5669 177.1600 37 G 4.1461 8.6386 108.5892 45.1496 0.0000 173.1348 38 N 4.8478 8.9085 118.2344 52.9277 39.2656 174.2267 39 I 4.3433 8.4970 123.8337 61.1976 37.7019 176.4068 40 L 4.2793 9.0419 128.1014 56.3528 42.8154 177.3285 41 Q 4.6939 7.6112 115.4422 54.6067 33.6427 174.3996 42 Y 4.8981 8.4301 121.5685 57.2261 41.0201 173.6733 43 N 4.9881 8.6926 125.4721 51.7896 39.5463 176.3496 44 A 4.0450 9.0942 120.9003 55.1903 18.4431 179.8461 45 A 3.9553 7.9317 118.9023 55.1610 18.3512 179.3122 46 E 3.9686 8.3721 117.4342 59.4863 29.8036 179.0880 47 G 3.9843 7.9407 106.9042 47.4819 0.0000 175.3609 48 D 4.4506 8.1321 120.3169 57.1140 40.8766 178.5757 49 I 3.9407 7.6230 119.1677 63.9898 37.3245 178.0414 50 V 4.3321 7.6155 108.9057 59.7993 32.8672 175.6365 51 G 3.8903 8.2288 106.5373 47.1140 0.0000 173.8366 52 R 4.5922 7.6368 115.9602 54.0036 34.2463 174.8184 53 D 4.8818 8.2477 119.6968 52.2068 42.2604 174.9891 54 P 4.1623 0.0000 0.0000 66.0808 31.1356 178.6900 55 K 4.0432 7.8587 115.6219 59.0373 31.9490 178.7178 56 Q 4.0801 7.9645 119.2159 58.1786 29.2689 177.3804 57 V 3.8988 7.3417 112.1826 61.4300 32.3557 176.2854 58 I 3.9191 7.0139 119.8873 62.7099 37.2700 176.4095 59 G 3.9525 9.1526 114.4963 45.0896 0.0000 173.7600 60 K 4.3051 7.8206 119.2268 55.0075 33.6430 175.2549 61 N 4.9042 8.9807 120.2087 52.7146 39.5277 175.7155 62 F 3.8344 9.0138 129.0927 61.1629 39.5149 176.9967 63 F 3.9219 7.6999 117.7133 59.0531 39.0029 176.7933 64 K 4.0814 7.8493 120.7602 58.7536 32.6136 177.3579 65 D 4.3987 7.9164 117.7301 56.8482 41.3353 178.0850 66 V 3.7621 7.4577 116.1072 64.3414 32.7869 176.0850 67 A 4.3731 7.2382 120.7542 49.6696 18.5127 174.9436 68 P 4.0289 0.0000 0.0000 64.7934 31.9979 178.9576 69 C 4.3387 7.7838 112.5599 59.9507 29.9149 173.9610 70 T 4.2882 7.8835 110.6877 61.8802 69.0162 174.1683 71 D 5.2494 7.7545 123.2119 52.8017 39.7730 174.8436 72 S 4.7118 8.0152 116.4027 56.3406 65.4590 175.5999 73 P 4.2499 0.0000 0.0000 65.8359 31.1456 178.1935 74 E 4.1911 7.7479 115.2136 57.5255 29.2621 176.2588 75 F 4.4378 7.3628 119.3500 58.0276 42.3285 175.2122 76 Y 4.2316 9.1603 120.3944 61.1100 38.8246 179.3391 77 G 3.6036 8.1386 107.5343 47.1711 0.0000 175.8319 78 K 3.9597 7.9618 120.3942 58.9397 32.0244 179.0245 79 F 4.0933 8.3720 121.2158 61.2704 39.4762 177.3676 80 K 3.7270 8.3977 118.7812 59.8728 32.2080 178.6575 81 E 3.9398 8.0905 120.5659 58.8704 29.5121 179.0655 82 G 3.6983 7.7178 105.6206 46.5684 0.0000 175.8496 83 V 3.0224 7.1257 119.7292 65.5952 31.5183 177.7326 84 A 4.0624 7.6646 119.3321 54.7154 18.3214 179.0374 85 S 4.4265 7.9402 110.8033 58.3624 63.7843 175.6326 86 G 3.8816 8.1143 110.0496 45.3825 0.0000 172.8793 87 N 4.8079 8.0890 117.7554 51.1649 39.9496 173.4721 88 L 4.7437 8.0557 125.5205 53.9768 45.3499 174.6275 89 N 5.3669 8.7906 121.4962 53.4679 40.3971 172.6163 90 T 4.8491 9.1065 118.5578 60.6097 71.5424 171.8088 91 M 5.5127 8.5315 126.2375 53.9436 35.6475 174.5365 92 F 4.9321 8.3444 114.7243 56.2974 41.7526 172.8213 93 E 4.9700 8.9397 119.1581 56.2867 30.7899 175.0113 94 Y 4.9018 8.8119 122.2984 56.9710 43.3358 173.2848 95 T 4.9954 7.9072 118.8202 61.7803 71.1724 173.6711 96 F 5.3127 9.0517 126.3274 56.1335 40.4632 176.5267 97 D 4.7820 8.8296 120.7535 53.3655 40.7042 173.9115 98 Y 4.5837 8.1957 121.0980 57.4629 39.3249 175.1179 99 Q 3.3095 8.3527 127.6444 56.3325 26.2875 172.9948 100 M 4.5355 7.5148 110.8429 54.3994 33.6680 174.3226 101 T 3.9321 8.4283 116.8507 63.0378 69.0753 172.6294 102 P 4.5918 0.0000 0.0000 63.7990 32.1955 175.8324 103 T 4.6072 8.9578 120.5149 61.4468 72.3035 173.2340 104 K 4.6288 8.7203 128.5772 56.4534 33.6213 175.9873 105 V 4.5867 8.7966 119.8060 59.4137 36.5354 174.1126 106 K 4.7557 8.6713 124.5051 55.1356 33.9054 175.2889 107 V 4.9532 8.5280 127.5631 61.2545 34.4944 173.6251 108 H 5.3669 9.3448 126.9380 54.8283 32.6643 171.7616 109 M 5.0825 9.0931 126.4537 54.0589 34.0985 175.4406 110 K 5.1258 8.9321 123.7640 54.6528 36.3136 175.0198 111 K 4.4793 8.8796 129.0238 56.6877 32.7288 176.3910 112 A 4.5575 8.2563 128.6739 51.3785 18.9428 177.2863 113 L 4.0312 9.0255 121.3370 58.3040 42.0480 178.2608 114 S 4.3758 7.9401 111.9826 58.2209 63.7795 174.0871 115 G 3.9969 8.4263 109.2352 45.4602 0.0000 173.6086 116 D 4.8928 7.6115 116.2818 52.1615 40.2412 175.1685 117 S 4.6174 6.8620 113.1095 57.4029 67.1228 172.2964 118 Y 4.9859 8.3653 117.6231 56.4362 42.3208 174.3673 119 W 4.9742 9.4151 124.4990 55.3795 31.7315 175.6674 120 V 4.6301 8.6915 123.3944 61.3816 33.4578 174.1496 121 F 5.7411 9.0450 127.6279 56.1120 41.6308 175.3722 122 V 5.2286 9.3437 121.6931 61.3358 35.0323 174.1989 123 K 4.9795 8.7520 125.4335 54.8834 36.4169 175.7975 124 R 4.3367 8.4994 119.8638 56.4122 31.0030 177.2234 125 V 4.0333 7.8449 114.8069 61.5856 32.0989 175.5698 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 M 8.30 4.46 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 2 E 8.38 3.87 0.00 1.90 1.80 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 2.27 2.50 0.00 3 H 8.51 4.73 0.00 3.11 3.23 0.00 5.64 0.00 0.00 0.00 0.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.39 4.31 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 0.84 0.00 0.00 0.90 0.00 0.00 5 A 8.40 4.49 1.25 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 0.00 0.00 0.00 6 F 8.58 2.90 0.00 2.52 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 7 G 7.53 3.55 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 8 S 7.29 4.13 0.00 3.96 3.91 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 9 E 8.83 3.90 0.00 1.91 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 0.00 2.27 2.33 0.00 10 D 7.60 5.02 0.00 2.76 2.57 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 11 I 7.55 3.52 1.69 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.98 0.72 0.00 0.00 12 E 8.04 4.02 0.00 2.45 2.25 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 2.36 2.58 0.00 13 N 8.19 4.53 0.00 3.03 2.91 0.00 0.00 6.89 7.17 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 14 T 7.80 3.86 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 1.17 0.00 0.00 15 L 8.08 4.11 0.00 1.56 1.52 0.76 0.07 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 16 A 7.64 4.25 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 17 K 7.59 4.27 0.00 1.92 1.95 0.00 1.60 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.53 1.47 7.81 18 M 7.57 5.24 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.41 0.00 19 D 8.69 4.74 0.00 2.96 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 20 D 8.69 4.45 0.00 2.84 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 21 G 8.01 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 22 Q 8.08 4.21 0.00 2.48 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.64 2.38 0.00 23 L 8.15 3.90 0.00 1.96 1.71 1.01 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.98 4.61 0.00 2.91 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 25 G 8.01 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 26 L 6.83 4.09 0.00 1.26 0.51 0.62 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.09 4.19 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 28 F 6.75 5.14 0.00 3.34 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 29 G 9.50 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 A 9.34 5.49 1.47 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 31 I 8.96 5.00 1.69 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.62 0.75 0.00 0.00 32 Q 8.79 4.58 0.00 0.93 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.72 0.00 0.00 0.00 0.00 0.00 1.66 1.16 0.00 33 L 8.79 5.32 0.00 1.81 1.59 0.16 0.57 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 34 D 8.85 4.95 0.00 2.99 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 G 8.81 3.77 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 0.00 0.00 0.00 36 D 8.44 4.69 0.00 2.93 2.84 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 0.00 0.00 0.00 37 G 8.64 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 38 N 8.91 4.85 0.00 3.09 2.75 0.00 0.00 7.01 7.33 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 39 I 8.50 4.34 2.00 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 1.24 0.83 1.00 0.00 0.00 40 L 9.04 4.28 0.00 1.46 1.63 0.81 0.87 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 41 Q 7.61 4.69 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 42 Y 8.43 4.90 0.00 2.94 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 43 N 8.69 4.99 0.00 3.03 2.98 0.00 0.00 6.51 8.03 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 44 A 9.09 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 45 A 7.93 3.96 1.33 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 0.00 0.00 0.00 46 E 8.37 3.97 0.00 1.96 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 1.64 2.14 0.00 47 G 7.94 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 48 D 8.13 4.45 0.00 2.88 2.78 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 49 I 7.62 3.94 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.68 1.05 0.00 0.00 50 V 7.62 4.33 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 0.96 0.00 0.00 1.16 0.00 0.00 51 G 8.23 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 52 R 7.64 4.59 0.00 2.03 1.71 0.00 3.21 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 53 D 8.25 4.88 0.00 2.68 2.49 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 54 P 0.00 4.16 0.00 2.27 2.56 0.00 3.71 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.54 0.00 55 K 7.86 4.04 0.00 1.66 1.86 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.59 7.81 56 Q 7.96 4.08 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 57 V 7.34 3.90 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 0.50 0.00 0.00 -0.01 0.00 0.00 58 I 7.01 3.92 1.85 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 1.27 0.56 0.97 0.00 0.00 59 G 9.15 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 0.00 0.00 0.00 60 K 7.82 4.31 0.00 1.86 1.78 0.00 1.82 0.00 0.00 1.47 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.30 7.81 61 N 8.98 4.90 0.00 2.70 2.72 0.00 0.00 7.17 8.52 0.00 0.00 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 F 9.01 3.83 0.00 2.74 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 0.00 0.00 0.00 0.00 63 F 7.70 3.92 0.00 2.65 2.41 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 64 K 7.85 4.08 0.00 1.67 1.75 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.42 7.81 65 D 7.92 4.40 0.00 2.87 2.61 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 66 V 7.46 3.76 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 0.61 0.00 0.00 0.79 0.00 0.00 67 A 7.24 4.37 -0.15 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 68 P 0.00 4.03 0.00 1.87 1.99 0.00 3.44 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.87 0.00 69 C 7.78 4.34 0.00 3.22 3.13 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 70 T 7.88 4.29 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 0.48 0.00 0.00 71 D 7.75 5.25 0.00 2.82 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 72 S 8.02 4.71 0.00 4.10 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 73 P 0.00 4.25 0.00 2.21 2.14 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 74 E 7.75 4.19 0.00 2.30 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 0.00 2.40 2.34 0.00 75 F 7.36 4.44 0.00 2.82 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 76 Y 9.16 4.23 0.00 2.87 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.14 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 3.96 0.00 1.88 1.82 0.00 0.88 0.00 0.00 1.40 0.00 0.00 2.69 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.40 1.32 7.81 79 F 8.37 4.09 0.00 3.41 3.41 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 80 K 8.40 3.73 0.00 1.86 1.88 0.00 1.20 0.00 0.00 1.44 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.98 1.32 7.81 81 E 8.09 3.94 0.00 2.05 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 0.00 2.25 2.30 0.00 82 G 7.72 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.13 3.02 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 0.67 0.00 0.00 -0.69 0.00 0.00 84 A 7.66 4.06 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 85 S 7.94 4.43 0.00 4.03 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 86 G 8.11 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 87 N 8.09 4.81 0.00 2.75 2.75 0.00 0.00 6.34 6.76 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 88 L 8.06 4.74 0.00 1.71 1.58 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.79 5.37 0.00 2.76 2.71 0.00 0.00 6.95 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 9.11 4.85 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 1.35 0.00 0.00 91 M 8.53 5.51 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 92 F 8.34 4.93 0.00 3.21 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 93 E 8.94 4.97 0.00 1.97 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 2.28 2.34 0.00 94 Y 8.81 4.90 0.00 3.21 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 95 T 7.91 5.00 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 1.25 0.00 0.00 96 F 9.05 5.31 0.00 3.08 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 97 D 8.83 4.78 0.00 2.78 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 98 Y 8.20 4.58 0.00 2.85 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 99 Q 8.35 3.31 0.00 1.80 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 1.74 1.16 0.00 100 M 7.51 4.54 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.73 0.00 101 T 8.43 3.93 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 0.00 102 P 0.00 4.59 0.00 1.96 2.06 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 103 T 8.96 4.61 4.36 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 1.25 0.00 0.00 104 K 8.72 4.63 0.00 1.83 1.65 0.00 1.64 0.00 0.00 2.03 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.46 7.81 105 V 8.80 4.59 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 0.59 0.00 0.00 0.27 0.00 0.00 106 K 8.67 4.76 0.00 1.66 1.32 0.00 1.52 0.00 0.00 1.48 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.35 7.81 107 V 8.53 4.95 0.67 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 0.66 0.00 0.00 0.81 0.00 0.00 108 H 9.34 5.37 0.00 2.96 2.94 0.00 5.64 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 9.09 5.08 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.64 0.00 110 K 8.93 5.13 0.00 1.72 1.75 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.49 7.81 111 K 8.88 4.48 0.00 1.94 1.76 0.00 1.86 0.00 0.00 1.91 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.25 7.81 112 A 8.26 4.56 1.04 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 0.00 0.00 113 L 9.03 4.03 0.00 1.68 1.82 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.94 4.38 0.00 3.99 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 0.00 115 G 8.43 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 0.00 0.00 0.00 116 D 7.61 4.89 0.00 2.73 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 0.00 117 S 6.86 4.62 0.00 3.63 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 0.00 118 Y 8.37 4.99 0.00 3.20 2.97 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 0.00 0.00 0.00 119 W 9.42 4.97 0.00 2.94 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 0.00 0.00 0.00 120 V 8.69 4.63 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 1.13 0.00 0.00 0.91 0.00 0.00 121 F 9.05 5.74 0.00 2.88 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 0.00 122 V 9.34 5.23 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 1.33 0.00 0.00 123 K 8.75 4.98 0.00 1.62 1.52 0.00 1.02 0.00 0.00 0.91 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.30 0.89 7.81 124 R 8.50 4.34 0.00 1.68 1.87 0.00 3.15 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 125 V 7.84 4.03 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 0.55 0.00 0.00 0.91 0.00 0.00