NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 R 4.2835 8.2549 120.8602 55.0195 31.2967 174.8046 14 P 4.2538 0.0000 0.0000 61.8497 31.7699 174.6479 15 S 4.6808 9.0254 116.3573 57.3644 66.1944 173.2728 16 R 4.6585 8.7436 124.3525 55.7487 30.9315 175.9072 17 V 4.0568 7.9002 118.8274 63.0314 32.3299 175.5147 18 V 4.1067 8.7381 128.2419 61.7808 32.9421 174.2852 19 E 4.7203 8.8032 129.6984 55.6677 29.8261 175.8685 20 L 4.5781 8.9188 128.2642 54.3347 43.5194 176.0263 21 T 3.6803 8.2283 110.5218 58.5515 71.8617 174.6449 22 D 4.2261 7.0896 120.7225 56.5119 39.1787 178.0080 23 E 4.1431 7.9958 119.2091 58.5787 30.0924 177.9863 24 T 4.3467 7.5530 107.6209 61.6739 69.3704 176.3957 25 F 3.8339 7.9164 124.4527 61.8613 39.4731 176.6544 26 D 4.4549 8.2609 118.1841 57.2936 40.4833 178.7387 27 S 4.1043 8.0383 113.5211 60.9607 62.6674 176.0080 28 I 3.9606 7.3848 122.4744 63.4851 37.2192 178.3563 29 V 3.3565 7.5097 118.3753 65.5710 31.3433 176.4383 30 M 4.3387 7.7713 116.8534 54.8293 32.1427 175.5568 31 D 4.3486 7.5831 120.2267 53.8196 41.4805 175.1594 32 P 4.6173 0.0000 0.0000 64.2779 31.7399 176.5199 33 E 4.3686 8.7253 118.3384 56.6334 29.9496 175.8955 34 K 4.8440 7.7866 118.2442 54.5451 35.5644 175.5457 35 D 4.7782 8.8678 123.5396 52.9879 42.6798 175.6649 36 V 4.5456 8.7786 125.3187 61.0369 33.9445 174.0682 37 F 5.9029 9.2459 132.0237 57.1521 41.0744 174.3246 38 V 4.7964 9.7553 127.7221 61.4862 33.4182 174.0785 39 L 4.4661 8.5789 130.6593 53.7105 43.6173 174.4313 40 Y 5.2149 9.3517 125.5268 56.9971 39.6640 174.5278 41 Y 5.2297 8.7476 121.6345 55.2941 42.4617 174.3561 42 V 3.9798 7.6526 112.2044 58.5320 34.0469 175.6530 43 P 4.2915 0.0000 0.0000 64.6779 31.6739 176.9704 44 W 4.5750 7.1118 114.1529 56.6351 28.8187 176.1022 45 S 4.6776 6.9017 115.2750 57.0226 63.8087 174.3425 46 R 3.8647 8.6041 128.5452 60.0592 29.8370 178.3537 47 H 4.2638 8.0324 115.3611 59.0460 28.7210 177.8472 48 S 4.1092 7.9263 116.8203 61.3379 62.6216 176.6205 49 V 3.4687 8.0487 121.1620 66.0507 31.2080 177.8690 50 A 3.9782 8.2273 120.1391 55.3155 18.1922 179.5489 51 A 3.9984 7.9658 119.1659 55.3233 18.3635 179.7721 52 M 3.8493 8.2095 117.8592 58.4850 31.9388 178.8311 53 R 3.8866 7.9657 118.8051 59.3516 30.2657 178.1538 54 L 3.9733 8.0594 120.0893 58.1184 41.9913 178.8491 55 W 3.9133 8.6023 128.3746 60.2408 30.6254 177.6311 56 D 4.3745 8.3401 119.0095 57.6886 40.2989 178.6358 57 D 4.3376 8.3003 119.3414 57.0738 40.6696 178.5890 58 L 3.7251 8.3613 121.5081 58.0167 42.0134 179.0781 59 S 4.1772 8.1291 114.4647 61.9436 62.5377 176.5344 60 M 4.0492 7.7418 121.1861 57.9119 32.0214 178.3168 61 S 4.1581 8.3315 113.7378 61.6139 62.6918 176.3533 62 Q 3.8899 8.2633 120.9452 58.3640 28.0993 178.5163 63 S 4.3604 7.7090 114.0472 60.3577 63.0708 175.4064 64 Q 4.4740 7.6469 119.8094 54.6656 29.3728 174.7638 65 K 4.6203 7.2820 120.6212 53.9241 34.8639 177.3766 66 R 4.0164 8.5250 116.0084 59.3832 29.5112 177.1152 67 N 4.8713 8.1429 115.0021 53.3019 38.5254 176.4339 68 H 4.4323 8.0939 116.6255 58.2177 28.4847 176.4077 69 L 4.2693 7.6770 118.5551 55.9076 42.1918 176.9927 70 T 4.5021 7.7473 107.7915 62.0112 71.4540 174.3068 71 F 4.8358 8.3390 124.8410 57.8131 40.3943 175.0741 72 V 4.3400 7.9055 124.8543 60.9156 34.9968 173.6355 73 A 5.0664 8.4970 128.7144 50.4588 20.8610 175.5515 74 A 5.4195 9.4310 124.1245 50.2977 23.2851 174.8531 75 R 5.1346 9.0569 114.7381 54.8964 33.7558 173.8928 76 I 4.9247 8.8084 119.8455 59.4269 42.2680 173.6742 77 D 3.6392 8.7604 128.7049 53.3196 41.0383 176.7447 78 G 3.6858 8.5130 115.2449 48.6326 0.0000 173.5399 79 E 4.2151 8.3159 121.8499 58.8138 29.8852 177.7756 80 K 3.8621 8.0072 118.4870 58.2662 33.0793 176.1730 81 Y 4.8865 7.6546 115.7429 55.3867 38.0881 174.5269 82 P 4.4108 0.0000 0.0000 65.2978 31.9378 178.1758 83 D 4.3552 8.2587 119.1852 56.7603 38.9935 178.8919 84 V 3.3722 7.7508 119.3280 65.4176 31.6224 177.7316 85 I 3.6073 7.5902 119.4742 64.2967 36.9431 178.0551 86 E 3.8611 8.3566 120.1368 59.3423 29.3217 178.8703 87 R 3.8857 7.8596 117.4274 59.2279 30.2450 177.4307 88 M 4.2701 8.1313 115.7251 54.1058 33.1233 175.9611 89 R 3.6800 7.3368 116.8512 57.0469 28.1107 176.5093 90 V 3.9047 7.5010 116.5420 61.5593 32.8095 175.3027 91 S 4.4594 7.9021 119.5267 57.1436 63.5525 173.1538 92 G 3.7287 6.4466 108.4831 45.8427 0.0000 172.4242 93 F 4.8743 8.3105 116.7852 54.6702 42.7760 173.2869 94 P 4.9733 0.0000 0.0000 63.1847 32.5345 175.5028 95 T 4.7475 8.8715 117.3966 62.1128 72.3456 172.9466 96 M 5.3356 8.7604 124.0412 53.8103 35.6800 174.5465 97 R 5.4366 9.7074 122.5423 54.6165 34.9778 173.8925 98 Y 5.3283 9.2247 124.8852 56.6074 40.8579 174.1978 99 Y 4.9746 9.3685 127.3313 56.6506 38.3238 176.1478 100 T 4.2679 7.9227 115.1443 60.1417 70.3462 175.6780 101 R 4.1177 8.9411 121.5089 59.4067 29.9961 178.2177 102 I 4.0288 7.6073 114.5721 61.7667 38.7725 175.1739 103 D 4.6898 7.5065 121.1168 52.5217 39.6546 175.9406 104 K 4.3399 8.0658 121.8331 57.2888 33.2255 177.8750 105 Q 4.4520 7.9614 115.3161 56.4915 29.9705 175.2861 106 E 4.6322 8.0612 117.0078 53.8049 30.1887 173.4069 107 P 4.0717 0.0000 0.0000 63.0372 32.6417 177.5097 108 F 4.6198 8.5974 120.1533 57.3097 40.1449 174.2564 109 E 4.9800 9.0831 125.2490 55.4861 30.6995 174.4661 110 Y 4.1176 9.1272 129.6758 56.1944 39.4280 175.0323 111 S 4.3579 7.9434 119.7711 57.7151 63.7798 174.2409 112 G 3.6132 5.3800 110.2225 44.3339 0.0000 173.6723 113 Q 3.9600 8.2798 117.6031 56.1047 29.6367 177.5434 114 R 4.3602 7.3606 121.3050 55.4329 29.0785 176.1653 115 Y 5.0430 6.8669 116.5009 55.0469 43.6150 175.9582 116 L 3.9142 8.6249 124.5450 58.4947 42.2792 179.5686 117 S 4.1734 8.1396 113.5897 61.6626 62.7527 176.3713 118 L 4.1035 7.9281 122.0489 57.4157 41.4195 179.4383 119 V 3.1913 7.8338 118.3491 65.7773 31.4228 177.8091 120 D 4.2271 8.5010 119.1367 57.5063 40.5554 179.0139 121 S 4.1836 8.2892 115.6793 61.4785 62.8045 176.4542 122 F 4.1015 8.5569 123.5568 61.1401 38.9748 177.1550 123 V 3.1263 8.1334 118.1623 65.9680 31.0494 177.7487 124 F 3.9945 7.9983 118.6420 61.5318 39.3476 176.8637 125 Q 4.0662 8.3075 116.5789 58.0857 28.5294 177.4042 126 N 4.1695 7.3508 114.5578 53.1443 38.9642 175.6852 127 T 4.2331 7.2542 123.2997 63.7237 68.8580 174.2770 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 13 R 8.25 4.28 0.00 1.77 1.92 0.00 3.26 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 1.51 1.72 0.00 14 P 0.00 4.25 0.00 2.15 1.96 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 15 S 9.03 4.68 0.00 3.82 3.68 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 16 R 8.74 4.66 0.00 1.79 1.89 0.00 3.25 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 17 V 7.90 4.06 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 0.90 0.00 0.00 1.04 0.00 0.00 18 V 8.74 4.11 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 0.92 0.00 0.00 0.92 0.00 0.00 19 E 8.80 4.72 0.00 2.06 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 2.38 2.51 0.00 20 L 8.92 4.58 0.00 1.57 1.59 0.60 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.23 3.68 3.76 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 1.21 0.00 0.00 22 D 7.09 4.23 0.00 2.80 2.96 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 23 E 8.00 4.14 0.00 1.95 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 2.32 2.36 0.00 24 T 7.55 4.35 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 1.19 0.00 0.00 25 F 7.92 3.83 0.00 3.33 3.02 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 26 D 8.26 4.45 0.00 2.85 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 27 S 8.04 4.10 0.00 3.99 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 28 I 7.38 3.96 1.66 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 1.33 1.04 0.77 0.00 0.00 29 V 7.51 3.36 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 -0.09 0.00 0.00 -0.15 0.00 0.00 30 M 7.77 4.34 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 31 D 7.58 4.35 0.00 2.89 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 32 P 0.00 4.62 0.00 2.20 2.14 0.00 3.78 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 1.97 1.97 0.00 33 E 8.73 4.37 0.00 2.04 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 0.00 2.28 2.25 0.00 34 K 7.79 4.84 0.00 1.56 1.69 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.47 7.81 35 D 8.87 4.78 0.00 2.76 2.62 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 36 V 8.78 4.55 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 0.94 0.00 0.00 0.93 0.00 0.00 37 F 9.25 5.90 0.00 3.20 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 38 V 9.76 4.80 2.36 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 0.20 0.00 0.00 0.82 0.00 0.00 39 L 8.58 4.47 0.00 0.27 0.58 0.53 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 9.35 5.21 0.00 3.04 3.08 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 41 Y 8.75 5.23 0.00 2.88 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 42 V 7.65 3.98 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 -0.59 0.00 0.00 0.09 0.00 0.00 43 P 0.00 4.29 0.00 2.25 2.31 0.00 3.20 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 44 W 7.11 4.58 0.00 3.50 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 45 S 6.90 4.68 0.00 3.68 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.60 3.86 0.00 1.91 1.87 0.00 3.24 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 47 H 8.03 4.26 0.00 3.21 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.93 4.11 0.00 3.89 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 49 V 8.05 3.47 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 0.99 0.00 0.00 0.94 0.00 0.00 50 A 8.23 3.98 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 51 A 7.97 4.00 1.28 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 0.00 0.00 52 M 8.21 3.85 0.00 1.84 2.04 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.83 0.00 53 R 7.97 3.89 0.00 1.94 2.11 0.00 3.16 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 54 L 8.06 3.97 0.00 1.89 1.98 0.94 0.91 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 55 W 8.60 3.91 0.00 3.54 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 56 D 8.34 4.37 0.00 2.95 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 57 D 8.30 4.34 0.00 2.82 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 58 L 8.36 3.73 0.00 1.30 1.28 0.58 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.13 4.18 0.00 4.10 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 60 M 7.74 4.05 0.00 2.02 2.24 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 2.62 2.84 0.00 61 S 8.33 4.16 0.00 3.80 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 62 Q 8.26 3.89 0.00 1.87 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 1.92 1.16 0.00 63 S 7.71 4.36 0.00 4.04 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 64 Q 7.65 4.47 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 65 K 7.28 4.62 0.00 1.90 1.70 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.40 7.81 66 R 8.52 4.02 0.00 1.96 2.12 0.00 3.08 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 1.69 1.72 0.00 67 N 8.14 4.87 0.00 2.84 2.95 0.00 0.00 6.91 8.16 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 68 H 8.09 4.43 0.00 3.34 3.76 0.00 5.74 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.68 4.27 0.00 1.58 1.71 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.75 4.50 4.38 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 0.00 0.00 0.00 1.21 0.00 0.00 71 F 8.34 4.84 0.00 3.19 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 72 V 7.91 4.34 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 0.83 0.00 0.00 0.85 0.00 0.00 73 A 8.50 5.07 1.09 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 0.00 0.00 74 A 9.43 5.42 1.18 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 0.00 0.00 75 R 9.06 5.13 0.00 2.03 1.98 0.00 2.32 0.00 0.00 3.04 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.97 0.00 76 I 8.81 4.92 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.62 1.00 0.00 0.00 77 D 8.76 3.64 0.00 2.47 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 0.00 0.00 0.00 0.00 78 G 8.51 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 79 E 8.32 4.22 0.00 2.13 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 2.69 2.36 0.00 80 K 8.01 3.86 0.00 1.64 1.33 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 1.04 7.81 81 Y 7.65 4.89 0.00 3.29 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 82 P 0.00 4.41 0.00 2.29 2.34 0.00 3.78 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 83 D 8.26 4.36 0.00 2.97 3.01 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 0.00 0.00 0.00 0.00 84 V 7.75 3.37 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 0.53 0.00 0.00 0.71 0.00 0.00 85 I 7.59 3.61 2.08 0.00 0.00 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 1.76 1.28 0.96 0.00 0.00 86 E 8.36 3.86 0.00 2.02 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 2.28 2.29 0.00 87 R 7.86 3.89 0.00 1.85 1.82 0.00 3.27 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 88 M 8.13 4.27 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 89 R 7.34 3.68 0.00 1.91 1.93 0.00 3.13 0.00 0.00 3.12 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 90 V 7.50 3.90 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 0.22 0.00 0.00 -0.15 0.00 0.00 91 S 7.90 4.46 0.00 3.88 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 92 G 6.45 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 0.00 0.00 0.00 93 F 8.31 4.87 0.00 2.98 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 94 P 0.00 4.97 0.00 2.00 2.05 0.00 3.71 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 1.95 1.97 0.00 95 T 8.87 4.75 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 1.24 0.00 0.00 96 M 8.76 5.34 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.27 0.00 97 R 9.71 5.44 0.00 2.25 1.67 0.00 3.37 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 98 Y 9.22 5.33 0.00 2.28 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 99 Y 9.37 4.97 0.00 2.97 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 0.00 100 T 7.92 4.27 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 0.69 0.00 0.00 101 R 8.94 4.12 0.00 1.73 2.04 0.00 3.22 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 102 I 7.61 4.03 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.65 0.90 0.00 0.00 103 D 7.51 4.69 0.00 2.63 2.36 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 0.00 104 K 8.07 4.34 0.00 1.82 1.93 0.00 1.98 0.00 0.00 1.90 0.00 0.00 3.28 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.41 7.81 105 Q 7.96 4.45 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.45 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 106 E 8.06 4.63 0.00 1.78 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 2.16 2.16 0.00 107 P 0.00 4.07 0.00 1.45 0.71 0.00 3.66 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 1.78 1.64 0.00 108 F 8.60 4.62 0.00 3.20 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 0.00 109 E 9.08 4.98 0.00 2.05 1.96 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 2.29 2.43 0.00 110 Y 9.13 4.12 0.00 2.57 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 0.00 111 S 7.94 4.36 0.00 3.83 3.76 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 0.00 112 G 5.38 3.61 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 0.00 113 Q 8.28 3.96 0.00 2.10 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 7.44 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 114 R 7.36 4.36 0.00 1.61 1.85 0.00 3.06 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 115 Y 6.87 5.04 0.00 3.01 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 0.00 116 L 8.62 3.91 0.00 1.75 1.68 0.84 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.14 4.17 0.00 4.10 4.12 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 0.00 0.00 0.00 118 L 7.93 4.10 0.00 1.99 1.97 1.21 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 119 V 7.83 3.19 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 0.77 0.00 0.00 0.64 0.00 0.00 120 D 8.50 4.23 0.00 2.83 2.62 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 0.00 121 S 8.29 4.18 0.00 4.19 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 0.00 122 F 8.56 4.10 0.00 3.30 3.16 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 0.00 123 V 8.13 3.13 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 0.75 0.00 0.00 0.84 0.00 0.00 124 F 8.00 3.99 0.00 3.02 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 0.00 125 Q 8.31 4.07 0.00 1.87 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.62 0.00 0.00 0.00 0.00 0.00 2.47 2.70 0.00 126 N 7.35 4.17 0.00 2.11 1.55 0.00 0.00 7.02 7.69 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 0.00 127 T 7.25 4.23 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 1.23 0.00 0.00