NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.2261 8.0544 120.6257 62.8676 32.9247 174.3638 3 Q 4.4452 8.7541 128.1600 54.3571 32.7276 171.5916 4 L 5.2840 8.7986 125.3991 53.0240 46.0436 175.7073 5 V 4.4385 8.6067 121.7685 61.5704 34.7184 174.0209 6 E 5.2847 8.4673 127.8000 55.8092 31.3799 175.4068 7 S 4.5341 9.3844 115.7202 58.3484 66.4432 175.6303 8 G 4.0205 9.2442 108.7525 45.2228 0.0000 174.4803 9 G 3.7735 7.8686 107.9094 45.2959 0.0000 174.0205 10 G 3.8740 7.2745 105.5331 45.7744 0.0000 170.7907 11 L 4.9706 8.5148 122.5481 53.9568 43.2075 177.4507 12 V 4.5865 8.2551 125.2489 61.2221 35.6884 174.1621 13 Q 5.0431 8.3610 123.1170 53.4632 30.7374 173.2982 14 P 4.3958 0.0000 0.0000 65.3582 31.1812 175.7282 15 G 4.0318 9.1789 114.4077 45.6710 0.0000 173.8059 16 G 3.9439 8.3141 107.1943 46.1736 0.0000 172.5322 17 S 5.3138 8.3352 114.0142 56.8715 67.0263 173.3243 18 L 4.4351 8.5742 122.2921 53.9391 45.8387 173.8256 19 R 4.8012 8.3869 125.1191 54.5175 32.4254 174.7240 20 L 4.7343 8.5369 126.4205 53.6200 44.0842 175.5033 21 S 5.2711 8.9790 115.7066 56.8274 66.4625 172.0850 22 C 5.3051 9.3978 126.0433 54.7023 47.1822 172.2940 23 A 4.5634 9.2215 129.8162 51.1957 19.2702 175.8514 24 A 5.2450 7.7832 125.0756 50.6361 21.6593 175.7143 25 S 4.1908 8.8693 113.0384 58.4952 66.7303 175.8997 26 G 3.9679 10.6818 108.3445 45.3562 0.0000 172.5152 27 F 4.8597 7.1156 112.7722 56.1494 40.7553 175.1848 28 T 4.2609 8.5644 111.6922 59.6700 67.5194 174.6037 29 F 3.9153 7.8906 131.9881 62.2269 39.7998 177.4102 30 S 3.9592 8.1750 113.1310 60.5948 62.1888 174.3013 31 S 4.6937 8.4043 113.9099 58.1313 63.4086 173.4129 32 Y 4.9937 7.9019 116.6182 56.7413 42.1166 174.3101 33 A 4.7139 8.4910 122.1444 51.0029 21.7388 176.1444 34 M 5.2321 8.6028 118.8132 53.9052 36.2809 174.5786 35 H 5.6542 8.8628 118.0856 53.8814 33.5962 172.4899 36 W 5.4831 9.2408 119.0469 55.2094 32.7076 175.0248 37 V 5.2759 9.5610 123.5493 61.4010 35.3942 173.9540 38 R 5.4443 9.1111 120.0469 53.8537 33.6592 174.0263 39 Q 4.9614 8.3988 119.7280 54.2129 31.8636 173.7205 40 A 4.4312 8.6863 128.7353 50.9429 20.1218 174.6589 41 P 4.2291 0.0000 0.0000 64.3647 31.4903 177.3330 42 G 3.9086 9.0074 111.3319 45.4550 0.0000 172.4485 43 K 4.5770 7.9965 119.4414 54.5356 34.5215 174.6808 44 G 4.0844 8.0776 107.7993 44.9876 0.0000 172.2101 45 L 4.7788 8.2543 118.8865 54.3436 43.0451 176.7118 46 E 4.8139 9.1475 121.5862 54.3504 33.6481 174.8391 47 W 4.6863 9.2974 135.0000 58.0048 31.3585 175.2143 48 V 4.1157 8.5730 118.0900 62.5012 34.1134 175.3818 49 A 4.7624 7.1773 119.3300 50.7732 22.9130 175.2639 50 V 4.9800 8.6174 118.1209 60.2360 35.4398 173.8909 51 I 5.1146 8.5354 123.5103 58.9697 41.2486 175.0822 52 S 4.5840 8.9064 124.3615 57.8892 64.1493 175.3085 53 S 4.1948 9.0217 114.5809 60.8319 62.2384 175.2559 54 D 4.5100 8.0126 117.7040 52.1787 39.1504 176.9785 55 G 3.9087 8.0995 106.6712 46.2363 0.0000 175.4640 56 G 3.6995 8.7596 109.9389 47.5544 0.0000 174.0132 57 N 5.0267 8.6008 116.8748 51.1273 42.1147 174.2288 58 K 4.9489 7.9336 120.1325 55.0645 36.5284 175.3071 59 Y 5.0326 8.6499 120.3961 56.7342 42.4081 173.9124 60 Y 5.2497 8.9131 119.3852 56.1763 42.4867 175.2190 61 T 4.3482 8.1383 111.3254 61.5787 70.0640 175.2636 62 D 4.4676 9.2058 123.9713 57.8450 40.9798 179.5702 63 S 4.1221 8.1535 111.3742 60.6338 62.9404 175.1265 64 V 3.8395 7.6408 111.9156 60.0800 32.5224 175.2808 65 K 3.7620 7.4623 120.8919 58.2365 32.0282 176.6273 66 G 3.9647 8.7641 112.5731 44.9574 0.0000 173.9459 67 R 4.4375 7.9609 117.7498 56.9726 32.0592 176.5902 68 F 5.6711 7.9491 115.5333 56.0931 41.8095 175.7460 69 T 4.8004 8.8793 118.0522 62.0727 72.0607 172.7809 70 I 5.0840 8.6293 127.6530 60.0226 39.8960 174.5047 71 S 4.9577 8.8215 121.5648 57.9344 66.8199 172.7682 72 R 5.1769 8.4811 115.3769 55.2346 32.7137 174.5131 73 N 4.9263 9.4158 118.8596 51.5146 40.6348 174.1922 74 D 4.8164 8.8393 121.4307 55.1468 40.8177 177.2289 75 S 4.5786 8.3345 116.6232 60.0972 64.0783 175.5434 76 K 4.1947 8.9327 116.2791 55.6636 32.6912 176.0918 77 N 3.7591 7.9737 115.8105 54.7535 35.9156 173.5335 78 T 4.6438 7.0988 112.5373 61.4364 73.2892 173.9718 79 L 5.0103 8.2526 126.4734 53.5699 44.8301 174.7636 80 Y 5.6172 9.3530 122.5130 56.3805 42.7279 174.7164 81 L 4.5756 8.6753 122.5336 53.7955 45.1081 174.7127 82 Q 4.4565 9.1155 129.9546 55.2155 30.3923 174.0308 83 M 4.3312 8.4679 127.0594 53.4398 34.1275 175.0117 84 N 5.1953 8.5845 120.3100 50.4448 42.4033 174.2086 85 S 3.7909 8.5796 113.9113 59.4931 60.3341 173.4668 86 L 4.2416 7.8181 120.1884 55.3444 42.1882 177.9025 87 R 4.8247 8.8354 123.2122 54.5664 32.1520 177.7255 88 T 4.0442 8.2684 109.1787 64.2236 68.8705 175.4718 89 E 4.4192 8.1298 120.0866 57.1552 29.6410 176.4877 90 D 4.7762 7.9278 118.4470 54.4967 41.7834 176.6222 91 T 4.1582 7.2148 114.9127 64.8594 68.9383 173.2159 92 A 4.3476 8.7566 126.7785 51.6692 23.8812 174.5713 93 V 4.4703 7.5794 119.5140 61.8211 33.3513 174.6717 94 F 5.2235 9.3371 127.1433 56.2633 41.2080 174.4532 95 Y 5.5980 9.8091 120.6275 56.3936 41.8387 172.0000 96 C 4.8870 9.9160 117.5696 53.5168 42.4533 172.5677 97 A 4.8014 7.9790 122.6389 49.5754 22.3330 175.2002 98 R 4.0776 8.5854 121.6923 55.6543 31.3619 175.3420 99 G 4.5202 9.5985 119.6227 46.5940 0.0000 173.5188 100 N 5.4203 8.8356 122.7301 50.8964 39.9350 172.9553 101 P 4.4296 0.0000 0.0000 60.8177 33.3645 173.5566 102 P 3.9748 0.0000 0.0000 62.9607 31.7869 176.0732 103 Y 3.6036 7.7905 117.6682 58.0966 34.7004 169.3203 104 S 4.5423 7.6074 110.7598 56.9969 66.0460 175.2572 105 S 3.9579 8.6960 115.2766 58.8681 62.1413 175.6358 106 G 3.5615 8.7106 116.3327 47.3478 0.0000 173.5820 107 W 4.5937 7.5603 118.6233 56.2557 29.4241 176.2908 108 G 3.9216 8.1279 109.4454 44.9528 0.0000 173.7955 109 G 4.2002 7.8581 102.9118 47.8321 0.0000 174.6561 110 G 3.7826 8.6496 110.5197 46.4468 0.0000 173.9173 111 D 4.5781 8.1370 120.6786 53.8992 40.6720 175.9702 112 Y 4.9586 7.6895 116.7319 55.8003 41.0930 175.0012 113 W 5.3354 9.1408 122.1815 55.0244 33.5157 175.3413 114 G 4.2551 8.5650 108.8925 45.5191 0.0000 173.3381 115 Q 4.4100 9.0716 116.5430 56.5181 29.4499 177.2056 116 G 4.3977 9.6019 104.1460 45.5268 0.0000 172.4856 117 T 4.8614 8.2232 109.8674 59.6589 72.1292 172.2491 118 M 5.1232 8.6014 120.9770 53.8311 34.0056 174.6798 119 V 4.6522 8.9578 116.8148 59.9294 34.2245 174.7051 120 T 4.7514 8.6981 120.6631 60.1595 69.5504 173.2258 121 V 4.6169 8.2049 130.6846 61.1353 31.9652 175.4170 122 S 4.6124 8.9108 119.6613 57.5004 67.1376 174.7629 123 S 4.2892 8.4304 113.5625 58.4115 62.4133 173.3323 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 2 V 8.05 4.23 0.70 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 -0.06 0.00 0.00 0.42 0.00 0.00 3 Q 8.75 4.45 0.00 2.12 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 4 L 8.80 5.28 0.00 1.56 1.50 0.95 0.96 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 5 V 8.61 4.44 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 0.87 0.00 0.00 0.95 0.00 0.00 6 E 8.47 5.28 0.00 1.92 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 0.00 2.56 2.35 0.00 7 S 9.38 4.53 0.00 3.86 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 8 G 9.24 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 0.00 0.00 0.00 9 G 7.87 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 10 G 7.27 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 0.00 0.00 0.00 11 L 8.51 4.97 0.00 1.66 1.58 0.92 0.84 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 12 V 8.26 4.59 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 0.90 0.00 0.00 0.89 0.00 0.00 13 Q 8.36 5.04 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.22 0.00 14 P 0.00 4.40 0.00 1.93 2.05 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 15 G 9.18 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 16 G 8.31 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 0.00 0.00 0.00 17 S 8.34 5.31 0.00 3.69 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 18 L 8.57 4.44 0.00 1.51 1.23 0.83 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.39 4.80 0.00 1.82 1.68 0.00 3.07 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 20 L 8.54 4.73 0.00 0.95 1.18 0.48 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.98 5.27 0.00 4.00 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 22 C 9.40 5.31 0.00 2.75 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 23 A 9.22 4.56 1.15 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 24 A 7.78 5.24 0.82 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 25 S 8.87 4.19 0.00 3.84 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 26 G 10.68 3.97 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 0.00 0.00 0.00 27 F 7.12 4.86 0.00 3.17 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 28 T 8.56 4.26 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 1.26 0.00 0.00 29 F 7.89 3.92 0.00 2.49 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 30 S 8.18 3.96 0.00 3.86 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 31 S 8.40 4.69 0.00 3.63 3.80 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 32 Y 7.90 4.99 0.00 3.13 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 33 A 8.49 4.71 1.24 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 0.00 0.00 0.00 34 M 8.60 5.23 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.61 0.00 35 H 8.86 5.65 0.00 2.98 3.40 0.00 5.55 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 9.24 5.48 0.00 3.32 3.21 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 37 V 9.56 5.28 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 1.44 0.00 0.00 1.20 0.00 0.00 38 R 9.11 5.44 0.00 1.12 0.73 0.00 2.76 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.30 0.00 39 Q 8.40 4.96 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.08 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 40 A 8.69 4.43 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 41 P 0.00 4.23 0.00 2.06 2.05 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 42 G 9.01 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 0.00 0.00 0.00 43 K 8.00 4.58 0.00 1.87 1.79 0.00 1.59 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.41 7.81 44 G 8.08 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.25 4.78 0.00 1.59 1.74 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.15 4.81 0.00 1.94 1.89 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 2.29 2.30 0.00 47 W 9.30 4.69 0.00 3.38 3.26 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 48 V 8.57 4.12 2.20 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 1.14 0.00 0.00 1.15 0.00 0.00 49 A 7.18 4.76 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 50 V 8.62 4.98 2.47 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 1.09 0.00 0.00 0.74 0.00 0.00 51 I 8.54 5.11 1.90 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 1.26 1.58 0.94 0.00 0.00 52 S 8.91 4.58 0.00 3.85 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 53 S 9.02 4.19 0.00 4.05 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 54 D 8.01 4.51 0.00 2.76 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 55 G 8.10 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 0.00 0.00 0.00 56 G 8.76 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 57 N 8.60 5.03 0.00 2.57 2.49 0.00 0.00 6.71 8.00 0.00 0.00 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 K 7.93 4.95 0.00 1.48 1.38 0.00 1.77 0.00 0.00 1.92 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.39 7.81 59 Y 8.65 5.03 0.00 3.30 3.17 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 60 Y 8.91 5.25 0.00 2.74 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 61 T 8.14 4.35 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 1.52 0.00 0.00 62 D 9.21 4.47 0.00 2.84 2.82 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 63 S 8.15 4.12 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 64 V 7.64 3.84 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 -0.06 0.00 0.00 0.81 0.00 0.00 65 K 7.46 3.76 0.00 1.62 1.69 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.48 0.00 0.00 0.00 0.00 1.60 1.58 7.81 66 G 8.76 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 0.00 0.00 0.00 67 R 7.96 4.44 0.00 1.75 2.27 0.00 3.04 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 68 F 7.95 5.67 0.00 2.71 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 69 T 8.88 4.80 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 1.29 0.00 0.00 70 I 8.63 5.08 2.01 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.36 0.81 0.00 0.00 71 S 8.82 4.96 0.00 4.00 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 72 R 8.48 5.18 0.00 2.10 2.04 0.00 3.04 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 73 N 9.42 4.93 0.00 3.02 2.83 0.00 0.00 7.56 8.73 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 74 D 8.84 4.82 0.00 2.74 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 75 S 8.33 4.58 0.00 4.12 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 76 K 8.93 4.19 0.00 1.78 1.80 0.00 1.94 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.55 7.81 77 N 7.97 3.76 0.00 2.64 2.39 0.00 0.00 6.85 7.05 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 78 T 7.10 4.64 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 0.62 0.00 0.00 79 L 8.25 5.01 0.00 1.87 1.54 1.15 0.23 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 80 Y 9.35 5.62 0.00 2.92 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 81 L 8.68 4.58 0.00 0.29 0.37 0.82 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 9.12 4.46 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.55 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 83 M 8.47 4.33 0.00 1.05 1.48 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.81 0.00 84 N 8.58 5.20 0.00 2.65 2.67 0.00 0.00 6.98 6.88 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 85 S 8.58 3.79 0.00 4.04 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 86 L 7.82 4.24 0.00 1.76 1.65 0.86 0.75 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 87 R 8.84 4.82 0.00 1.91 1.85 0.00 3.13 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 88 T 8.27 4.04 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 1.23 0.00 0.00 89 E 8.13 4.42 0.00 1.98 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 2.31 2.40 0.00 90 D 7.93 4.78 0.00 2.91 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 91 T 7.21 4.16 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 1.24 0.00 0.00 92 A 8.76 4.35 1.08 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 0.00 0.00 0.00 0.00 0.00 93 V 7.58 4.47 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 0.45 0.00 0.00 0.91 0.00 0.00 94 F 9.34 5.22 0.00 3.09 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 95 Y 9.81 5.60 0.00 3.19 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 96 C 9.92 4.89 0.00 2.24 1.68 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 97 A 7.98 4.80 0.03 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 98 R 8.59 4.08 0.00 1.58 1.80 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.14 0.00 99 G 9.60 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 N 8.84 5.42 0.00 2.77 3.05 0.00 0.00 5.70 7.76 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 0.00 101 P 0.00 4.43 0.00 1.94 2.01 0.00 3.81 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 1.94 2.05 0.00 102 P 0.00 3.97 0.00 1.87 1.67 0.00 3.59 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.97 0.00 103 Y 7.79 3.60 0.00 3.13 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 0.00 104 S 7.61 4.54 0.00 3.94 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 0.00 105 S 8.70 3.96 0.00 3.90 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 0.00 106 G 8.71 3.56 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 0.00 107 W 7.56 4.59 0.00 3.19 3.07 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 0.00 108 G 8.13 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 0.00 109 G 7.86 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 0.00 110 G 8.65 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 0.00 111 D 8.14 4.58 0.00 2.47 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 0.00 112 Y 7.69 4.96 0.00 2.76 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 0.00 113 W 9.14 5.34 0.00 3.00 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 0.00 114 G 8.56 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 0.00 0.00 0.00 0.00 115 Q 9.07 4.41 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.50 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 116 G 9.60 4.40 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 0.00 117 T 8.22 4.86 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 1.22 0.00 0.00 118 M 8.60 5.12 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 119 V 8.96 4.65 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 0.71 0.00 0.00 1.12 0.00 0.00 120 T 8.70 4.75 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 1.29 0.00 0.00 121 V 8.20 4.62 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 0.84 0.00 0.00 1.03 0.00 0.00 122 S 8.91 4.61 0.00 3.89 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 0.00 123 S 8.43 4.29 0.00 3.81 3.72 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