NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3680 8.3044 120.3273 55.5297 32.6734 175.0805 2 S 4.3653 8.4955 120.3173 55.6358 61.4745 170.9242 3 R 4.3294 8.6202 127.6053 54.5777 30.3865 171.9072 4 S 3.6048 8.1764 116.5536 58.1696 59.8467 171.8729 5 N 4.7105 8.2717 121.8463 52.2684 36.4432 173.7282 6 R 4.5555 7.7829 116.5105 54.7323 32.3849 176.1331 7 Q 4.2738 8.2801 123.2721 54.4010 29.6341 173.6513 8 K 4.3069 8.0645 124.2934 55.2620 33.7074 175.6301 9 E 4.6212 7.7657 119.9165 55.3414 33.3601 174.4044 10 Y 4.7159 8.1982 119.3126 56.1729 41.1853 175.0040 11 K 4.7033 8.1892 118.2900 54.2063 36.2741 175.7810 12 C 4.2412 8.6109 120.7267 61.4884 31.5571 173.9714 13 G 4.0294 8.9147 116.2288 45.1281 0.0000 173.4797 14 D 4.5367 8.1141 120.5204 54.3327 42.4635 175.5009 15 L 4.7522 8.4858 122.7514 53.9515 43.1725 176.1513 16 V 5.2162 8.7135 116.5640 60.1697 37.1621 173.9058 17 F 5.7133 9.5179 119.9601 56.0304 41.8488 174.8690 18 A 5.5825 9.1219 124.3712 50.2374 21.2968 175.2872 19 K 4.6818 9.3247 125.3326 55.7457 33.5356 176.0462 20 M 4.9183 8.2381 126.1306 52.8993 35.7473 174.8074 21 K 4.0215 8.4619 122.9827 57.7886 32.5503 177.3774 22 G 3.5682 9.2937 114.7263 45.3300 0.0000 172.2470 23 Y 5.0199 7.2325 116.3870 55.4954 42.0186 172.8818 24 P 4.7461 0.0000 0.0000 61.9488 33.2342 175.1387 25 H 4.2133 8.2429 116.9187 56.6692 29.2515 174.3821 26 W 4.8074 9.3760 134.4229 54.7024 32.7583 173.3106 27 P 4.8315 0.0000 0.0000 63.9982 31.6822 175.0646 28 A 5.5740 9.0929 125.2406 50.2344 23.4998 173.9684 29 R 4.9382 7.8356 116.7886 54.9158 34.2391 173.9585 30 I 4.2691 8.4479 124.2982 61.2385 37.9562 176.3129 31 D 4.8855 8.3680 123.8410 54.3359 43.0829 175.5838 32 E 4.7118 7.7767 116.7316 55.6605 32.9380 174.6831 33 M 4.8839 8.5475 124.4962 53.2888 33.7508 174.4029 34 P 4.2923 0.0000 0.0000 62.3052 31.4133 175.9120 35 E 3.8669 8.1249 120.5620 57.5649 29.6550 176.7281 36 A 4.3794 7.4700 128.8310 52.1614 26.2965 178.4602 37 A 4.3929 7.6324 114.2932 52.2431 20.3871 176.7457 38 V 4.0382 7.6978 113.4304 61.4110 33.3931 176.6184 39 K 3.4188 8.1263 118.0005 58.5034 33.5990 174.0251 40 S 4.4279 8.2295 109.7953 58.5012 61.2314 176.8269 41 T 4.3617 7.3269 109.0073 59.5929 69.1916 174.5323 42 A 4.0804 8.2421 130.2924 54.7702 19.5146 178.4967 43 N 4.8957 7.5780 110.2275 52.0670 39.4636 172.6943 44 K 4.7137 7.5315 118.2518 55.4689 35.6830 176.6241 45 Y 4.6880 8.7258 116.8781 57.0684 43.2371 175.0391 46 Q 4.1871 8.0916 120.6333 55.0199 29.7788 175.3238 47 V 4.5223 8.1165 118.2066 59.4787 34.5685 174.9398 48 F 4.9138 8.4954 126.5721 56.6251 41.3655 174.5800 49 F 4.9447 8.5205 126.4066 56.0146 39.5950 175.7322 50 F 4.3788 8.2066 123.3072 58.5480 39.2922 174.9768 51 G 4.3373 9.4334 111.6443 46.7616 0.0000 175.1533 52 T 4.0865 7.7961 109.3633 61.0693 69.6910 174.4675 53 H 3.2789 7.7621 117.8903 56.6853 26.6771 174.3871 54 E 4.6373 7.4903 117.1382 55.5248 31.7683 175.2297 55 T 5.4255 8.5871 114.7228 59.7068 70.9865 172.2892 56 A 4.9214 8.2268 126.5603 51.4143 23.3866 174.4882 57 F 5.8608 8.9837 117.5063 55.4174 40.7772 175.7473 58 L 4.9742 8.5334 122.1594 53.1213 46.9156 176.0491 59 G 4.4671 8.5794 108.0860 44.5171 0.0000 173.0892 60 P 4.4842 0.0000 0.0000 65.0733 31.5450 179.3899 61 K 4.0145 8.1251 116.5864 58.7413 32.2375 177.0579 62 D 5.1026 7.9638 116.8210 54.1131 42.0126 175.8558 63 L 5.4484 7.4456 119.1006 53.0761 43.8694 175.8641 64 F 5.1475 9.2997 120.2134 54.9579 44.4124 172.5665 65 P 4.7065 0.0000 0.0000 62.8508 31.1790 176.4284 66 Y 3.9059 8.6000 125.3137 60.9166 38.9246 178.2798 67 E 3.8454 8.5161 117.9571 59.5271 29.8638 178.4459 68 E 4.0203 8.3003 118.0042 58.6832 29.9960 177.2659 69 S 4.1990 8.4487 112.9419 57.9286 63.5336 175.5832 70 K 3.8335 8.2924 124.3967 59.9320 31.5316 178.7588 71 E 4.1180 7.8662 116.5319 58.8306 29.4436 179.0105 72 K 4.0669 7.4106 117.4190 58.7994 32.6240 178.3839 73 F 4.8599 7.9995 115.8305 57.1026 40.6933 177.1886 74 G 4.1379 7.9645 110.0918 43.4708 0.0000 172.9436 75 K 4.6406 7.7985 119.1398 54.3706 36.6980 174.7031 76 P 4.4072 0.0000 0.0000 63.2630 31.8101 174.7780 77 N 4.8400 7.9227 115.7959 51.6561 42.8237 174.7845 78 K 4.2420 8.2638 116.9554 58.2337 32.5730 179.5129 79 R 4.0243 7.9558 116.7361 56.6940 30.3000 173.6721 80 K 3.9719 8.2792 123.4581 56.9307 32.3904 176.0665 81 G 4.2084 8.8517 110.3602 45.9603 0.0000 175.3797 82 F 2.9255 8.3646 121.4894 61.0250 39.3101 176.7290 83 S 4.2279 8.2917 113.3523 61.8652 62.4783 175.6696 84 E 4.2482 7.9131 122.9858 59.1323 29.0878 179.2111 85 G 3.8103 8.3403 105.6363 47.4566 0.0000 175.7692 86 L 4.0643 8.3522 121.7596 57.4888 41.5528 179.4014 87 W 4.1183 8.2235 127.7419 60.3704 30.6751 177.7119 88 E 4.0416 8.2503 118.5326 59.5446 28.8151 179.0952 89 I 2.0000 6.7442 116.9884 63.0363 37.7590 176.5691 90 E 4.1148 6.9583 117.1973 58.1877 30.2400 177.2554 91 N 4.2794 7.9061 116.1882 54.6076 38.8911 175.1004 92 N 4.5980 8.1335 119.9884 52.1806 40.0056 172.5520 93 P 4.4180 0.0000 0.0000 64.0025 32.0581 177.6010 94 T 4.5207 7.6909 108.2624 61.0892 69.0677 174.8835 95 V 3.7021 7.4486 121.1864 63.0520 31.8288 174.9885 96 K 3.8298 8.7549 124.4779 55.9977 31.4785 174.4419 97 A 4.3984 7.7432 121.2502 50.9778 22.0861 176.1976 98 S 4.0872 8.4653 111.8603 61.5838 63.3111 174.5265 99 G 4.2017 7.7931 106.4082 43.9169 0.0000 172.1051 100 Y 4.4443 8.3302 121.1445 55.3956 41.5836 175.4205 101 Q 4.3973 7.7950 123.6526 54.5277 28.7976 175.5802 102 S 4.3581 8.6157 120.0368 58.5525 63.6147 171.6217 103 S 3.6418 8.8380 126.6698 58.6534 61.1051 171.6400 104 Q 4.3835 8.8287 125.5900 56.6298 30.6934 176.2152 105 K 4.3917 7.9585 114.5950 58.0335 34.0691 176.1928 106 K 4.5927 7.5327 115.1784 55.2414 35.9545 174.7038 107 S 4.9916 8.6483 115.5833 56.0668 66.1745 173.6182 108 C 4.6204 8.6003 115.0398 59.7446 31.4809 175.4610 109 A 4.1606 8.1204 121.7497 54.1511 18.5290 176.8700 110 E 4.4383 7.8446 118.0940 57.2283 30.5008 175.6038 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 4.37 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 2 S 8.50 4.37 0.00 3.90 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 3 R 8.62 4.33 0.00 1.77 1.80 0.00 3.62 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 4 S 8.18 3.60 0.00 4.06 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 5 N 8.27 4.71 0.00 2.70 2.79 0.00 0.00 6.96 7.67 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 6 R 7.78 4.56 0.00 1.86 1.86 0.00 3.01 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 7 Q 8.28 4.27 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.01 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 8 K 8.06 4.31 0.00 1.66 1.54 0.00 1.57 0.00 0.00 1.30 0.00 0.00 2.73 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.95 1.27 7.81 9 E 7.77 4.62 0.00 1.86 1.71 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 2.25 2.32 0.00 10 Y 8.20 4.72 0.00 2.57 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 11 K 8.19 4.70 0.00 1.86 1.64 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.49 7.81 12 C 8.61 4.24 0.00 2.92 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 13 G 8.91 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 0.00 0.00 0.00 14 D 8.11 4.54 0.00 2.94 2.70 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 15 L 8.49 4.75 0.00 1.55 1.22 0.64 0.83 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 16 V 8.71 5.22 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 0.66 0.00 0.00 0.71 0.00 0.00 17 F 9.52 5.71 0.00 3.49 3.28 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 0.00 18 A 9.12 5.58 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 19 K 9.32 4.68 0.00 1.73 1.92 0.00 0.73 0.00 0.00 1.44 0.00 0.00 2.88 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.42 1.40 7.81 20 M 8.24 4.92 0.00 2.43 2.20 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.73 0.00 21 K 8.46 4.02 0.00 1.65 1.59 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.37 7.81 22 G 9.29 3.57 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 0.00 23 Y 7.23 5.02 0.00 3.10 2.89 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 24 P 0.00 4.75 0.00 1.91 1.92 0.00 4.11 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 1.82 2.04 0.00 25 H 8.24 4.21 0.00 2.19 3.07 0.00 5.88 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 W 9.38 4.81 0.00 3.64 3.22 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 27 P 0.00 4.83 0.00 2.41 2.63 0.00 2.60 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 1.95 1.77 0.00 28 A 9.09 5.57 1.06 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 0.00 0.00 29 R 7.84 4.94 0.00 1.85 1.57 0.00 3.28 0.00 0.00 3.54 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.76 0.00 30 I 8.45 4.27 2.01 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 1.27 0.67 0.89 0.00 0.00 31 D 8.37 4.89 0.00 2.52 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.78 4.71 0.00 1.94 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 0.00 2.25 2.30 0.00 33 M 8.55 4.88 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 34 P 0.00 4.29 0.00 1.92 1.72 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.22 0.00 35 E 8.12 3.87 0.00 1.95 1.84 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 2.32 2.32 0.00 36 A 7.47 4.38 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 37 A 7.63 4.39 1.22 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 38 V 7.70 4.04 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 0.90 0.00 0.00 0.98 0.00 0.00 39 K 8.13 3.42 0.00 1.87 1.82 0.00 1.46 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.35 7.81 40 S 8.23 4.43 0.00 3.80 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 41 T 7.33 4.36 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 1.18 0.00 0.00 42 A 8.24 4.08 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 43 N 7.58 4.90 0.00 2.63 2.76 0.00 0.00 6.85 7.20 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 44 K 7.53 4.71 0.00 1.76 1.99 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.45 7.81 45 Y 8.73 4.69 0.00 2.80 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 46 Q 8.09 4.19 0.00 1.51 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.84 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 47 V 8.12 4.52 1.69 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 0.68 0.00 0.00 0.29 0.00 0.00 48 F 8.50 4.91 0.00 2.92 2.46 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 49 F 8.52 4.94 0.00 2.68 2.43 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 50 F 8.21 4.38 0.00 3.06 3.11 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 51 G 9.43 4.34 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 0.00 52 T 7.80 4.09 4.23 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 1.15 0.00 0.00 53 H 7.76 3.28 0.00 3.35 3.63 0.00 5.66 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.49 4.64 0.00 1.83 1.82 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 2.25 2.24 0.00 55 T 8.59 5.43 4.46 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 1.31 0.00 0.00 56 A 8.23 4.92 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 57 F 8.98 5.86 0.00 2.84 3.05 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 58 L 8.53 4.97 0.00 1.65 1.63 1.20 1.06 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 59 G 8.58 4.47 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 0.00 60 P 0.00 4.48 0.00 2.31 2.30 0.00 3.75 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00 61 K 8.13 4.01 0.00 1.80 1.91 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.51 7.81 62 D 7.96 5.10 0.00 2.93 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 63 L 7.45 5.45 0.00 1.14 0.90 0.48 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.30 5.15 0.00 3.40 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 65 P 0.00 4.71 0.00 2.30 2.14 0.00 3.93 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 66 Y 8.60 3.91 0.00 2.79 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 67 E 8.52 3.85 0.00 2.08 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 0.00 2.40 2.33 0.00 68 E 8.30 4.02 0.00 1.97 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 2.28 2.30 0.00 69 S 8.45 4.20 0.00 3.84 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 70 K 8.29 3.83 0.00 1.73 1.62 0.00 1.49 0.00 0.00 1.56 0.00 0.00 3.10 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.14 0.21 7.81 71 E 7.87 4.12 0.00 1.85 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 2.26 2.39 0.00 72 K 7.41 4.07 0.00 1.05 1.70 0.00 1.51 0.00 0.00 1.23 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.33 7.81 73 F 8.00 4.86 0.00 1.51 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 0.00 0.00 0.00 0.00 74 G 7.96 4.14 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 0.00 0.00 0.00 75 K 7.80 4.64 0.00 1.60 1.59 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.43 7.81 76 P 0.00 4.41 0.00 1.99 2.02 0.00 3.60 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 2.04 2.18 0.00 77 N 7.92 4.84 0.00 1.76 2.43 0.00 0.00 5.25 6.99 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 78 K 8.26 4.24 0.00 1.77 1.85 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.37 7.81 79 R 7.96 4.02 0.00 2.18 2.20 0.00 3.77 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 80 K 8.28 3.97 0.00 2.13 1.90 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.55 7.81 81 G 8.85 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 0.00 0.00 0.00 0.00 82 F 8.36 2.93 0.00 2.41 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 83 S 8.29 4.23 0.00 4.16 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 84 E 7.91 4.25 0.00 1.99 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 2.35 2.43 0.00 85 G 8.34 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 86 L 8.35 4.06 0.00 1.94 1.84 1.10 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 87 W 8.22 4.12 0.00 3.42 3.35 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 88 E 8.25 4.04 0.00 2.15 1.82 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 2.87 2.89 0.00 89 I 6.74 2.00 1.38 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.09 0.90 0.00 0.00 90 E 6.96 4.11 0.00 2.09 1.67 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 2.18 2.33 0.00 91 N 7.91 4.28 0.00 1.44 1.42 0.00 0.00 6.05 7.36 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 92 N 8.13 4.60 0.00 2.55 2.83 0.00 0.00 7.00 7.63 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 93 P 0.00 4.42 0.00 2.23 2.15 0.00 3.69 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.85 0.00 94 T 7.69 4.52 4.23 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 1.20 0.00 0.00 95 V 7.45 3.70 2.38 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 1.28 0.00 0.00 1.13 0.00 0.00 96 K 8.75 3.83 0.00 2.13 1.77 0.00 2.07 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.38 1.33 7.81 97 A 7.74 4.40 1.14 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 0.00 0.00 98 S 8.47 4.09 0.00 3.95 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 99 G 7.79 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 0.00 0.00 0.00 0.00 100 Y 8.33 4.44 0.00 2.91 2.79 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 0.00 101 Q 7.80 4.40 0.00 1.90 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 102 S 8.62 4.36 0.00 3.92 3.84 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 0.00 103 S 8.84 3.64 0.00 4.06 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 0.00 104 Q 8.83 4.38 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 105 K 7.96 4.39 0.00 1.89 1.91 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.44 7.81 106 K 7.53 4.59 0.00 1.73 1.70 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.46 7.81 107 S 8.65 4.99 0.00 3.82 3.74 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 0.00 108 C 8.60 4.62 0.00 3.03 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 0.00 109 A 8.12 4.16 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 0.00 110 E 7.84 4.44 0.00 1.91 1.79 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 2.15 2.17 0.00