NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 5.0602 8.1832 118.6000 53.4859 41.3195 176.2564 3 I 3.4608 7.8872 119.3084 64.0815 36.9194 174.4065 4 E 4.1681 9.1609 120.2709 59.8907 29.6204 179.2182 5 Q 4.0311 8.0398 117.1147 59.0270 28.8768 178.6217 6 Q 4.0209 8.4684 119.4361 58.9268 28.9027 178.9627 7 L 3.9474 8.1197 119.9170 58.0235 41.6713 178.8133 8 Y 3.9818 8.3783 119.7923 60.7802 38.5977 177.8118 9 D 4.3553 8.5068 119.2220 57.4029 41.4000 178.6186 10 V 3.5788 7.7488 119.7429 64.6442 31.2683 178.5992 11 V 3.4538 7.6144 118.5275 65.5003 31.3712 177.7053 12 K 3.6297 7.8043 119.5446 59.7837 31.9250 178.6250 13 Q 3.9428 8.2074 118.2756 58.7416 28.5871 178.5874 14 L 3.9085 7.8516 121.3214 58.3140 42.1652 179.1513 15 I 3.8784 8.0000 120.0140 64.4196 36.7612 178.3172 16 E 3.9623 8.0944 118.6520 59.2891 29.3435 179.0064 17 Q 4.0107 7.9659 118.5715 59.2434 29.3311 177.7155 18 R 3.9449 8.2593 118.0363 57.5414 30.3643 175.8375 19 Y 4.8720 8.0772 115.9645 55.7639 38.3599 174.4431 20 P 4.4622 0.0000 0.0000 64.8144 32.2736 177.0714 21 N 5.1880 7.0980 112.3477 52.2488 42.7386 175.8268 22 D 4.4197 9.0612 119.3584 54.1034 39.6635 173.0371 23 W 4.6846 8.8847 132.1903 59.0054 31.6820 176.9942 24 G 3.2743 7.3662 112.1357 44.4482 0.0000 171.6721 25 G 4.0300 6.5627 108.1228 45.2229 0.0000 171.7318 26 A 4.8936 8.5013 122.3079 51.1415 23.5855 174.8562 27 A 5.2424 8.9305 119.4315 50.4386 23.2205 175.2359 28 A 5.2529 9.1107 120.2609 50.2711 23.3025 175.2810 29 I 5.0039 9.0251 120.9605 59.5068 40.9080 174.5471 30 R 4.8574 8.8135 127.2553 54.8499 32.3792 175.4496 31 V 4.6412 8.1535 118.2410 59.1715 34.8725 176.6516 32 E 3.9315 8.5572 121.5543 59.7220 29.2284 178.4467 33 D 4.4580 7.8940 114.9965 53.7302 39.7613 176.9413 34 G 3.9042 8.3162 109.5053 45.1989 0.0000 174.3282 35 T 3.7538 7.9984 117.2212 63.9854 69.5563 173.1063 36 I 4.6425 7.9090 125.5186 59.6670 39.7960 174.4283 37 Y 5.0521 8.8562 125.0071 56.4856 40.4742 174.9179 38 T 5.3558 8.5585 112.2241 60.3265 72.1802 172.8696 39 S 4.8091 8.9528 116.2006 57.5994 66.8734 173.0730 40 V 5.0286 8.2334 112.6364 59.0922 35.3068 175.5759 41 A 4.2401 8.7759 125.4417 51.3405 18.9350 176.1070 42 P 4.5281 0.0000 0.0000 62.3885 32.2220 176.2748 43 D 4.6084 8.5108 120.3000 54.6752 41.4452 176.0747 44 V 4.6368 8.0064 114.1813 59.7669 35.6360 175.3198 45 I 4.4075 8.3717 113.5206 60.5258 39.7395 175.5132 46 N 4.9872 7.7802 117.7728 50.3703 39.8422 175.2375 47 A 4.2048 8.5594 124.0387 54.9269 18.7662 179.3560 48 S 4.1447 8.1645 109.8431 60.9618 62.4149 174.6844 49 T 4.4554 7.9509 108.6839 61.1971 68.9005 174.7168 50 E 4.2144 7.8226 121.9606 56.6463 30.0493 176.2551 51 L 4.9047 8.0161 120.9028 52.6242 45.9727 175.5640 52 C 4.6042 8.5431 115.5565 55.4374 42.4152 174.7149 53 M 4.0284 8.6546 120.8927 58.6499 31.9837 177.8395 54 E 4.2506 8.2132 117.0281 58.5381 30.4489 178.8831 55 T 4.1514 8.2359 116.9348 66.7133 68.4774 176.3899 56 G 3.6946 8.2228 106.7215 47.9539 0.0000 175.3635 57 A 4.1310 8.0189 122.6523 54.7253 18.5341 179.5552 58 I 3.7327 7.9811 118.4449 64.7363 37.1654 178.6641 59 L 4.1453 8.2157 119.7215 57.7601 41.3909 179.4627 60 E 3.6531 8.1696 118.5198 59.1632 29.3127 179.1306 61 A 4.0620 7.7294 120.7244 55.4218 18.4236 179.5136 62 H 4.3079 8.3219 114.7225 58.8547 28.6057 177.7395 63 K 3.6902 7.8721 120.3383 59.5297 32.0865 178.1802 64 F 4.5314 7.7450 114.3231 56.8592 40.1156 175.0036 65 Q 3.6159 7.7682 118.6273 57.4719 27.6129 173.1085 66 K 4.7510 8.2568 115.7785 54.3781 35.5033 176.4943 67 K 4.1629 8.3957 123.4650 55.4381 32.9501 176.0065 68 V 3.8085 6.4406 126.9429 63.1926 31.4911 175.2662 69 T 4.3313 8.9529 117.8132 62.9234 71.2764 174.0580 70 H 5.2233 7.7174 116.8093 53.9718 33.7631 172.5346 71 S 5.1420 9.2514 115.5287 56.7709 65.9940 172.5492 72 I 5.0893 8.8240 125.4932 59.6263 42.0089 173.0454 73 C 5.2539 8.6929 127.2039 57.6564 34.9388 172.4020 74 L 5.3767 8.8710 124.9655 53.1424 45.2502 175.3090 75 A 4.9429 8.7370 122.3222 50.4799 23.2343 175.3600 76 R 4.7423 8.5444 116.3277 54.3614 32.4770 176.6000 77 E 4.2159 9.0013 120.7821 59.1752 30.2007 175.9694 78 N 5.4875 7.7138 114.6627 52.2692 40.2197 174.5593 79 E 4.2214 8.6444 114.5985 58.0597 29.5593 176.6687 80 H 5.0165 8.3030 116.9565 55.8835 29.7808 173.4017 81 S 4.8541 7.7256 113.7439 56.1723 66.1018 174.0195 82 E 4.3014 8.4294 120.2098 56.0716 30.6171 176.3061 83 L 4.3035 8.4382 121.2945 54.8321 42.4073 176.5248 84 K 4.6378 9.1338 124.1107 54.4345 34.5141 175.9375 85 V 4.2532 8.3321 124.1497 62.8859 32.7974 174.4021 86 L 4.9540 8.5223 128.6381 52.8094 42.8755 176.7792 87 S 4.4396 9.0000 120.4443 57.1702 63.4976 173.1305 88 P 4.5887 0.0000 0.0000 62.3564 31.7192 176.5819 89 C 4.6206 8.5765 116.6152 57.5686 32.0272 174.7050 90 G 3.8574 8.7474 107.1918 48.1164 0.0000 175.9326 91 V 3.6708 7.7896 119.6901 66.3012 31.6566 178.7947 92 C 4.5413 8.2612 115.4880 59.7743 41.2117 175.9300 93 Q 4.0307 8.4214 120.1797 58.9742 28.0555 178.4778 94 E 4.3266 8.2870 118.8816 59.5008 29.9239 179.3223 95 R 4.2356 8.1485 117.7088 59.4672 30.2177 179.1199 96 L 4.5271 8.5219 118.9799 57.9927 41.7497 179.5073 97 F 3.9373 8.7572 117.4994 59.7566 38.5019 176.5930 98 Y 4.2348 7.8318 119.0908 60.7352 38.5366 177.8993 99 W 4.4611 8.1553 116.4103 55.8756 29.5772 175.1066 100 G 2.2130 7.2986 104.7608 42.6772 0.0000 172.8797 101 P 3.6324 0.0000 0.0000 64.1819 31.3963 177.3534 102 E 4.3541 7.3605 117.0281 55.7305 30.0955 175.8650 103 V 3.4835 6.9719 120.6863 63.4960 32.6705 174.7874 104 Q 4.7260 8.7232 127.3689 55.2243 30.2405 174.4648 105 C 5.4915 9.2738 121.8377 57.6309 31.3588 173.2886 106 A 4.4000 9.0227 126.2359 51.8231 18.9210 176.3826 107 I 4.4325 8.1853 116.9812 59.0355 39.8786 176.1754 108 T 4.0347 8.6170 121.2287 63.5820 69.0592 173.5243 109 N 4.8167 8.3756 120.6013 51.4470 39.8606 175.1447 110 A 3.9896 8.7294 123.2037 55.3630 17.7742 179.0085 111 K 4.1433 8.0253 113.1641 56.6385 32.6202 177.3018 112 Q 3.7114 7.9301 116.6809 56.7543 26.7532 173.7799 113 D 4.3690 7.2692 116.7446 54.2353 41.3730 176.9188 114 I 3.8828 7.9175 122.7833 60.4588 36.7066 175.5820 115 I 4.3640 7.7195 126.7531 59.3001 39.9526 174.7895 116 F 5.1213 8.6894 126.3475 56.5246 40.1582 175.6102 117 K 4.8874 9.2122 122.8457 53.5961 35.9047 174.3651 118 P 4.7192 0.0000 0.0000 62.2003 32.4335 176.8698 119 L 3.7548 8.4464 122.3702 58.5187 41.5893 179.7726 120 K 4.0967 8.0204 118.3471 60.0196 32.0709 178.8914 121 E 4.0080 8.1362 119.3229 58.9420 29.5322 178.7191 122 L 4.2968 7.8224 117.8171 56.2379 43.3701 177.1987 123 Q 4.7268 8.0961 117.6058 53.3570 28.8422 174.1224 124 P 4.6026 0.0000 0.0000 63.9830 31.9900 177.4342 125 Y 4.7387 7.5025 116.8010 57.4674 39.1115 175.1734 126 H 4.1966 8.0461 119.3169 56.0141 30.6431 176.1081 127 W 4.3002 8.3669 123.3956 59.7464 27.7784 178.4858 128 T 3.2952 6.4829 110.1020 64.2774 67.6174 175.4680 129 E 3.9007 7.7928 121.1033 59.3688 29.5728 178.4556 130 A 3.9669 7.9753 119.6167 53.7806 18.9049 176.9961 131 Y 4.8130 7.8204 115.9793 57.1648 39.1044 177.4056 132 H 4.0644 8.5677 120.6634 59.8036 30.2057 175.2884 133 D 4.2863 8.0679 119.7508 57.3896 40.7556 178.4412 134 E 3.8973 8.1206 118.4808 59.8092 29.4350 179.3185 135 M 3.3173 8.1425 118.9316 58.0288 31.8319 179.2441 136 V 3.8360 7.7605 112.9085 64.1883 31.4592 178.5060 137 K 3.8681 7.5377 117.9670 59.3869 32.3412 178.0532 138 E 3.9571 7.8020 119.4657 59.2839 29.6328 178.9791 139 W 4.4329 8.2226 119.4042 59.5498 28.8794 178.4241 140 S 4.3793 8.0932 113.0914 60.7607 62.5104 175.6293 141 T 4.2960 7.5737 117.9845 64.2247 68.6218 174.7848 142 R 4.2790 7.8325 125.1837 56.4078 30.2522 176.1511 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 N 8.18 5.06 0.00 2.73 2.87 0.00 0.00 7.07 6.92 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 3 I 7.89 3.46 1.78 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 1.56 -0.12 0.55 0.00 0.00 4 E 9.16 4.17 0.00 2.10 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 2.41 2.72 0.00 5 Q 8.04 4.03 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 6 Q 8.47 4.02 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.68 0.00 7 L 8.12 3.95 0.00 2.04 1.82 1.02 0.63 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 8 Y 8.38 3.98 0.00 3.12 2.95 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 9 D 8.51 4.36 0.00 3.00 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 10 V 7.75 3.58 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 0.78 0.00 0.00 0.91 0.00 0.00 11 V 7.61 3.45 1.90 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 1.01 0.00 0.00 0.96 0.00 0.00 12 K 7.80 3.63 0.00 1.39 1.77 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.38 7.81 13 Q 8.21 3.94 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 14 L 7.85 3.91 0.00 1.85 1.82 0.90 1.12 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 15 I 8.00 3.88 1.77 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.45 0.79 0.00 0.00 16 E 8.09 3.96 0.00 2.04 1.99 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 2.31 2.44 0.00 17 Q 7.97 4.01 0.00 1.99 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 18 R 8.26 3.94 0.00 1.58 1.75 0.00 2.97 0.00 0.00 3.02 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.00 19 Y 8.08 4.87 0.00 2.95 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 20 P 0.00 4.46 0.00 2.17 2.17 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 21 N 7.10 5.19 0.00 2.69 2.74 0.00 0.00 7.04 7.94 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 22 D 9.06 4.42 0.00 2.99 2.77 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 23 W 8.88 4.68 0.00 3.27 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 24 G 7.37 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 0.00 0.00 0.00 25 G 6.56 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 26 A 8.50 4.89 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 27 A 8.93 5.24 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 28 A 9.11 5.25 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 29 I 9.03 5.00 1.99 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 1.17 0.98 0.85 0.00 0.00 30 R 8.81 4.86 0.00 1.76 1.67 0.00 2.85 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 31 V 8.15 4.64 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 0.66 0.00 0.00 0.94 0.00 0.00 32 E 8.56 3.93 0.00 1.96 1.99 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 2.30 2.42 0.00 33 D 7.89 4.46 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 34 G 8.32 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 0.00 0.00 0.00 35 T 8.00 3.75 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 0.50 0.00 0.00 36 I 7.91 4.64 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.62 0.90 0.00 0.00 37 Y 8.86 5.05 0.00 2.88 2.98 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 38 T 8.56 5.36 4.28 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 1.23 0.00 0.00 39 S 8.95 4.81 0.00 3.95 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 40 V 8.23 5.03 2.39 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 0.89 0.00 0.00 1.04 0.00 0.00 41 A 8.78 4.24 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 42 P 0.00 4.53 0.00 2.22 2.10 0.00 3.96 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 43 D 8.51 4.61 0.00 2.73 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 44 V 8.01 4.64 2.23 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 0.76 0.00 0.00 0.92 0.00 0.00 45 I 8.37 4.41 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.66 0.92 0.00 0.00 46 N 7.78 4.99 0.00 2.84 2.91 0.00 0.00 6.17 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 47 A 8.56 4.20 1.31 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 0.00 0.00 0.00 48 S 8.16 4.14 0.00 3.83 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 49 T 7.95 4.46 4.25 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 1.27 0.00 0.00 50 E 7.82 4.21 0.00 2.11 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 2.33 2.26 0.00 51 L 8.02 4.90 0.00 1.60 1.55 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 52 C 8.54 4.60 0.00 3.17 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 53 M 8.65 4.03 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.81 0.00 54 E 8.21 4.25 0.00 2.16 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 0.00 2.47 2.46 0.00 55 T 8.24 4.15 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 1.26 0.00 0.00 56 G 8.22 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 57 A 8.02 4.13 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 58 I 7.98 3.73 2.19 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.87 1.30 0.00 0.00 59 L 8.22 4.15 0.00 1.85 1.71 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.17 3.65 0.00 1.67 1.12 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 0.00 2.23 2.42 0.00 61 A 7.73 4.06 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 62 H 8.32 4.31 0.00 3.47 3.32 0.00 5.83 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.87 3.69 0.00 1.45 1.46 0.00 1.48 0.00 0.00 1.06 0.00 0.00 2.33 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.54 1.14 7.81 64 F 7.75 4.53 0.00 3.21 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 65 Q 7.77 3.62 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.63 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 66 K 8.26 4.75 0.00 1.96 1.75 0.00 1.94 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.69 7.81 67 K 8.40 4.16 0.00 1.94 1.84 0.00 1.87 0.00 0.00 2.03 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.62 7.81 68 V 6.44 3.81 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 0.58 0.00 0.00 -0.59 0.00 0.00 69 T 8.95 4.33 4.07 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 1.14 0.00 0.00 70 H 7.72 5.22 0.00 2.90 2.89 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 9.25 5.14 0.00 3.86 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 72 I 8.82 5.09 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.50 0.98 0.00 0.00 73 C 8.69 5.25 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 74 L 8.87 5.38 0.00 1.44 1.38 0.45 0.37 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 75 A 8.74 4.94 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 76 R 8.54 4.74 0.00 1.81 1.85 0.00 2.80 0.00 0.00 3.05 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.44 0.00 77 E 9.00 4.22 0.00 2.03 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 0.00 2.44 2.40 0.00 78 N 7.71 5.49 0.00 3.11 2.94 0.00 0.00 6.67 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 79 E 8.64 4.22 0.00 1.98 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 0.00 1.89 2.12 0.00 80 H 8.30 5.02 0.00 3.26 3.28 0.00 5.59 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.73 4.85 0.00 3.82 3.73 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 82 E 8.43 4.30 0.00 2.00 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 2.35 0.00 83 L 8.44 4.30 0.00 1.62 1.60 0.70 0.70 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 84 K 9.13 4.64 0.00 1.65 1.71 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.51 7.81 85 V 8.33 4.25 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 0.97 0.00 0.00 0.94 0.00 0.00 86 L 8.52 4.95 0.00 1.60 1.63 1.04 0.86 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 S 9.00 4.44 0.00 3.88 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 88 P 0.00 4.59 0.00 2.25 2.22 0.00 3.41 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 89 C 8.58 4.62 0.00 3.23 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 90 G 8.75 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 0.00 0.00 0.00 91 V 7.79 3.67 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 1.13 0.00 0.00 0.98 0.00 0.00 92 C 8.26 4.54 0.00 3.10 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 93 Q 8.42 4.03 0.00 2.44 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 94 E 8.29 4.33 0.00 2.33 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 2.76 2.70 0.00 95 R 8.15 4.24 0.00 2.25 2.17 0.00 3.25 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.01 0.00 96 L 8.52 4.53 0.00 1.93 1.81 0.98 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 97 F 8.76 3.94 0.00 3.48 3.23 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 0.00 98 Y 7.83 4.23 0.00 2.81 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 99 W 8.16 4.46 0.00 3.58 3.06 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 0.00 100 G 7.30 2.21 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 0.00 101 P 0.00 3.63 0.00 2.03 2.12 0.00 2.66 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 102 E 7.36 4.35 0.00 1.80 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 0.00 2.06 2.11 0.00 103 V 6.97 3.48 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 0.91 0.00 0.00 0.98 0.00 0.00 104 Q 8.72 4.73 0.00 1.50 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 105 C 9.27 5.49 0.00 2.83 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 0.00 106 A 9.02 4.40 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 0.00 107 I 8.19 4.43 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 0.96 0.00 0.00 108 T 8.62 4.03 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 0.00 109 N 8.38 4.82 0.00 2.81 2.84 0.00 0.00 6.13 7.04 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 0.00 110 A 8.73 3.99 1.31 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 0.00 0.00 0.00 111 K 8.03 4.14 0.00 1.89 1.88 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.50 7.81 112 Q 7.93 3.71 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 113 D 7.27 4.37 0.00 2.81 2.53 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 0.00 114 I 7.92 3.88 1.73 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 1.30 0.73 0.49 0.00 0.00 115 I 7.72 4.36 1.79 0.00 0.00 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 1.28 0.68 0.88 0.00 0.00 116 F 8.69 5.12 0.00 2.98 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 0.00 117 K 9.21 4.89 0.00 1.61 1.66 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.49 7.81 118 P 0.00 4.72 0.00 2.24 2.20 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.90 0.00 119 L 8.45 3.75 0.00 1.57 1.28 0.84 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.02 4.10 0.00 2.03 2.04 0.00 1.33 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.44 7.81 121 E 8.14 4.01 0.00 2.11 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 2.32 2.31 0.00 122 L 7.82 4.30 0.00 1.79 1.79 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 8.10 4.73 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.71 0.00 124 P 0.00 4.60 0.00 1.56 1.99 0.00 3.38 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.90 0.00 125 Y 7.50 4.74 0.00 3.06 3.03 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 0.00 126 H 8.05 4.20 0.00 3.32 2.98 0.00 5.79 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 W 8.37 4.30 0.00 3.67 3.29 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 0.00 128 T 6.48 3.30 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 -0.06 0.00 0.00 129 E 7.79 3.90 0.00 2.04 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 0.00 2.32 2.35 0.00 130 A 7.98 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Y 7.82 4.81 0.00 2.99 2.87 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 0.00 132 H 8.57 4.06 0.00 3.42 3.33 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.07 4.29 0.00 2.74 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 0.00 134 E 8.12 3.90 0.00 2.15 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 2.40 2.46 0.00 135 M 8.14 3.32 0.00 0.51 1.58 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.59 0.00 136 V 7.76 3.84 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 0.66 0.00 0.00 0.93 0.00 0.00 137 K 7.54 3.87 0.00 1.72 1.92 0.00 1.79 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.42 7.81 138 E 7.80 3.96 0.00 1.89 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.12 0.00 139 W 8.22 4.43 0.00 3.60 3.03 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 0.00 140 S 8.09 4.38 0.00 4.08 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 0.00 141 T 7.57 4.30 4.54 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 0.00 0.00 0.00 1.24 0.00 0.00 142 R 7.83 4.28 0.00 1.99 2.10 0.00 3.20 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00