NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 K 4.3782 8.1733 120.0854 55.6414 34.7324 174.4966 16 K 4.8713 7.9857 118.7534 54.1752 35.7733 173.8566 17 R 4.6274 9.0502 120.6560 54.8736 35.4328 173.5105 18 Y 5.3228 8.8654 119.6782 56.0925 41.3407 174.6943 19 I 4.8962 8.9647 117.0769 59.0215 40.6123 174.2826 20 A 5.0423 8.8100 128.9886 50.9274 20.5773 175.9905 21 F 5.3186 8.5634 115.4034 55.1802 42.1594 173.3475 22 K 5.0050 9.0591 120.6007 54.5423 35.8324 174.9088 23 V 4.9853 8.4268 125.0875 60.1089 33.7654 175.1337 24 I 4.4235 8.9701 126.4168 60.2766 38.2464 174.6156 25 S 4.7807 8.3396 120.4518 56.9832 65.2438 173.6697 26 E 4.0595 8.9637 123.5992 57.9972 29.5727 175.7096 27 N 4.9514 7.4625 113.3186 50.2799 40.3746 173.5511 28 Q 4.3195 8.0006 117.0653 55.7589 29.5257 175.7114 29 F 5.3379 8.5515 117.2207 56.0639 43.3094 174.1865 30 N 5.3444 8.5400 119.8184 51.2486 39.6140 176.0662 31 K 4.0513 8.8225 119.0278 60.1277 32.1029 178.6875 32 D 4.3259 8.1957 118.2714 57.6139 40.7569 178.8418 33 E 3.8739 8.2391 119.0389 59.4837 29.5564 179.5592 34 I 3.4329 7.3184 112.4488 63.3765 37.4243 177.9208 35 K 3.7181 7.8992 121.7258 59.2956 32.0233 178.2733 36 E 3.8946 8.0772 119.2063 59.1958 29.4985 178.2626 37 A 3.9203 7.8867 120.7589 55.6199 18.2806 179.5419 38 I 3.4835 7.9852 118.3260 64.3056 37.0112 178.4667 39 W 3.9001 7.9595 129.0560 60.5594 30.6587 177.6677 40 N 4.2279 8.5395 116.2316 56.3790 37.9759 177.1543 41 A 3.9083 8.2093 122.1866 55.6059 18.5413 179.6183 42 C 4.0557 7.6442 115.1485 62.5174 28.0759 176.4767 43 L 3.6798 7.6545 120.8134 57.7471 41.0221 179.6799 44 R 3.8785 7.9318 116.7756 59.6254 30.1145 179.0915 45 T 4.1146 7.6919 113.9889 66.1651 69.0789 176.3958 46 L 4.3814 8.3527 119.5849 53.0769 42.3813 177.5780 47 G 4.2807 7.6709 106.3843 45.1059 0.0000 174.5122 48 E 3.8123 8.5319 118.1054 59.1626 29.3260 179.5816 49 L 3.9489 7.8209 119.7841 58.1026 42.2498 178.8619 50 G 4.0058 7.8922 106.4260 47.6188 0.0000 175.3684 51 T 3.6720 8.1292 118.4744 66.1665 68.1637 176.4481 52 A 3.9685 7.5860 121.5814 55.1504 18.4240 179.6047 53 K 4.0237 7.6470 115.7395 59.4975 32.4390 179.2813 54 A 3.9870 8.1713 121.1860 52.6183 19.2613 177.0024 55 K 3.6707 8.2260 116.0150 57.1531 29.8898 172.5183 56 P 4.9652 0.0000 0.0000 62.0042 32.7510 177.2258 57 W 5.4871 9.4330 134.7020 55.7672 34.1706 174.0896 58 L 4.6591 7.7798 129.6451 53.7986 40.2759 175.7605 59 I 3.9105 8.2092 118.6172 63.2680 38.4422 176.6380 60 K 4.7118 7.8714 122.1497 54.8523 35.8303 174.7006 61 F 5.1657 8.6871 127.6836 56.4559 41.3953 174.1707 62 D 4.2342 8.7784 129.5759 53.2171 39.5961 176.2022 63 E 3.8179 8.3341 126.5321 59.3062 29.9410 179.1820 64 T 3.9306 7.7918 112.7923 64.9255 67.3917 175.1911 65 T 4.3378 7.8263 107.5566 60.4624 69.8012 174.3812 66 Q 3.1319 7.4471 120.2677 57.8658 26.9444 172.9214 67 T 4.6176 6.3689 112.6314 62.0083 73.8170 174.7257 68 G 4.2667 7.1188 109.0495 46.0166 0.0000 172.1102 69 I 5.3359 8.9133 120.3225 59.4442 41.0567 175.2207 70 I 4.9849 8.8127 125.2418 59.6254 41.1593 174.3680 71 R 5.0890 9.3429 126.1239 54.9666 32.9624 174.7085 72 S 5.2645 8.3569 117.5588 57.4657 67.0161 173.0297 73 D 4.5231 8.9704 121.3821 54.5479 41.3605 177.3297 74 R 3.7401 8.5959 125.7352 59.3782 30.1153 176.7930 75 N 4.7468 8.4510 112.7541 53.4857 38.7662 174.8300 76 H 5.0532 8.2819 114.5825 54.8874 30.8564 175.4295 77 V 3.4083 7.9778 120.9823 66.5195 31.2073 177.3456 78 Y 4.4372 7.5397 114.1421 59.8209 37.7405 177.2880 79 D 4.5503 8.0401 120.6260 56.5665 41.3899 178.8002 80 V 3.6360 7.6466 118.4261 65.7038 31.5500 178.0625 81 I 3.6489 7.8817 119.6750 64.4473 36.8460 177.8201 82 F 3.9283 8.0377 120.1000 61.8501 39.2908 177.2514 83 S 4.3226 8.1966 114.4541 61.5555 62.6836 176.6408 84 L 4.0075 7.9840 121.6878 57.9666 41.0561 179.6834 85 T 3.8490 7.7576 115.1618 66.3447 68.4464 176.0025 86 L 4.3167 7.0529 116.7190 54.6413 41.7198 177.2659 87 V 3.5920 7.1445 119.6775 62.7894 30.4961 175.8363 88 S 4.1894 8.5787 122.9041 60.4341 62.6745 173.4581 89 D 4.8765 7.5996 116.5768 51.4046 42.3838 174.9651 90 I 4.1146 7.9339 118.9398 60.3539 39.2620 173.8059 91 N 4.1717 8.9440 128.7731 54.7338 36.4045 175.9259 92 G 4.0735 8.5306 107.1524 45.2412 0.0000 174.0343 93 N 4.7462 7.7942 117.7979 51.3230 39.2746 174.5906 94 K 4.1355 8.7205 124.7290 57.0878 32.7463 175.3376 95 A 4.8666 7.7608 124.2388 51.3505 22.7688 175.3460 96 I 4.6999 8.5245 112.8414 59.0126 41.5041 174.1171 97 I 5.1214 8.3798 123.4610 59.1287 40.3926 174.3964 98 K 4.7707 8.8967 128.4654 54.9121 35.4850 176.2826 99 V 4.3062 8.4533 116.1653 61.5655 32.2433 176.1696 100 L 4.3962 9.4854 123.8428 53.8943 42.7288 177.2996 101 G 3.5445 6.6409 111.1042 44.9074 0.0000 171.6905 102 V 4.5728 7.1771 113.9166 59.8771 34.1349 175.1042 103 S 4.6061 8.5290 113.7191 57.5738 65.2250 175.9729 104 G 3.6643 8.7116 113.6470 47.8219 0.0000 174.7918 105 T 4.6559 7.4761 109.7613 59.3060 72.5087 175.6923 106 I 3.4891 7.6614 121.7003 64.1222 37.0723 178.4742 107 K 3.8732 7.9218 120.0447 59.6272 31.6726 178.6045 108 R 3.9253 7.8496 118.5442 59.1420 28.4801 178.3309 109 L 4.2124 7.8029 119.8572 58.0359 42.2163 178.7170 110 K 4.0056 8.9054 120.2537 59.1361 32.0378 177.2949 111 R 4.1521 8.0731 119.8772 57.7130 29.4425 177.0813 112 K 3.6711 6.8261 122.4819 58.3444 33.2652 177.3462 113 F 4.8400 8.0975 115.1156 59.1386 42.8531 176.0948 114 L 4.3803 7.7794 118.3921 57.4222 41.7267 179.4711 115 S 5.1453 8.4521 112.4612 61.0050 62.7273 174.6747 116 Q 4.5129 7.9893 117.3143 56.0096 29.0474 175.0496 117 F 4.6904 8.5435 118.4681 57.6043 42.6643 174.3974 118 G 4.0059 9.0089 107.3659 46.7839 0.0000 173.4436 119 W 4.8279 7.8573 118.0456 54.8348 32.7683 176.6409 120 R 4.2649 8.4819 115.7756 57.0635 28.2560 174.6627 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 15 K 8.17 4.38 0.00 1.72 1.90 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.49 7.81 16 K 7.99 4.87 0.00 1.57 1.33 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.46 7.81 17 R 9.05 4.63 0.00 1.54 1.63 0.00 3.22 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 18 Y 8.87 5.32 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 19 I 8.96 4.90 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.92 0.80 0.00 0.00 20 A 8.81 5.04 0.98 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 21 F 8.56 5.32 0.00 3.10 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 22 K 9.06 5.01 0.00 1.62 1.65 0.00 1.81 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.28 7.81 23 V 8.43 4.99 2.35 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 1.17 0.00 0.00 1.25 0.00 0.00 24 I 8.97 4.42 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.27 0.97 0.00 0.00 25 S 8.34 4.78 0.00 4.09 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 26 E 8.96 4.06 0.00 1.95 1.94 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 2.28 2.34 0.00 27 N 7.46 4.95 0.00 2.61 2.63 0.00 0.00 6.06 7.39 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 28 Q 8.00 4.32 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 29 F 8.55 5.34 0.00 3.27 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 30 N 8.54 5.34 0.00 3.06 3.01 0.00 0.00 7.14 6.86 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 31 K 8.82 4.05 0.00 1.92 1.93 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.70 1.74 7.81 32 D 8.20 4.33 0.00 2.75 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 33 E 8.24 3.87 0.00 2.24 1.88 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 2.34 2.51 0.00 34 I 7.32 3.43 1.51 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.62 0.43 0.00 0.00 35 K 7.90 3.72 0.00 1.78 1.93 0.00 1.44 0.00 0.00 1.44 0.00 0.00 2.73 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.31 1.23 7.81 36 E 8.08 3.89 0.00 2.05 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 0.00 2.32 2.36 0.00 37 A 7.89 3.92 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 I 7.99 3.48 1.98 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.71 0.87 0.00 0.00 39 W 7.96 3.90 0.00 3.56 3.30 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 40 N 8.54 4.23 0.00 2.77 2.88 0.00 0.00 7.02 7.49 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 41 A 8.21 3.91 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 42 C 7.64 4.06 0.00 2.66 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 43 L 7.65 3.68 0.00 1.66 1.58 0.63 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.93 3.88 0.00 1.71 1.97 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 45 T 7.69 4.11 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 1.44 0.00 0.00 46 L 8.35 4.38 0.00 1.67 1.59 0.84 0.88 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 47 G 7.67 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 0.00 0.00 0.00 0.00 48 E 8.53 3.81 0.00 1.98 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 2.38 2.32 0.00 49 L 7.82 3.95 0.00 1.67 1.60 0.89 0.99 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 50 G 7.89 4.01 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 0.00 0.00 0.00 51 T 8.13 3.67 4.09 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 0.70 0.00 0.00 52 A 7.59 3.97 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 53 K 7.65 4.02 0.00 1.62 1.78 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.60 7.81 54 A 8.17 3.99 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 55 K 8.23 3.67 0.00 1.93 1.80 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.53 7.81 56 P 0.00 4.97 0.00 2.09 2.03 0.00 3.76 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 1.93 2.05 0.00 57 W 9.43 5.49 0.00 3.31 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 58 L 7.78 4.66 0.00 1.45 1.14 0.79 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.21 3.91 2.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.84 1.20 0.00 0.00 60 K 7.87 4.71 0.00 1.96 1.96 0.00 1.65 0.00 0.00 1.46 0.00 0.00 2.77 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.47 7.81 61 F 8.69 5.17 0.00 3.04 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 62 D 8.78 4.23 0.00 2.34 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 63 E 8.33 3.82 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 2.62 2.41 0.00 64 T 7.79 3.93 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 1.27 0.00 0.00 65 T 7.83 4.34 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 1.29 0.00 0.00 66 Q 7.45 3.13 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 67 T 6.37 4.62 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 0.49 0.00 0.00 68 G 7.12 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 0.00 0.00 0.00 0.00 69 I 8.91 5.34 1.95 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 0.89 0.82 1.07 0.00 0.00 70 I 8.81 4.98 1.92 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 1.13 0.95 0.98 0.00 0.00 71 R 9.34 5.09 0.00 1.99 1.94 0.00 3.09 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.06 0.00 72 S 8.36 5.26 0.00 4.00 3.85 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 73 D 8.97 4.52 0.00 2.82 2.64 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 0.00 0.00 0.00 74 R 8.60 3.74 0.00 1.82 1.93 0.00 3.29 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 75 N 8.45 4.75 0.00 2.64 2.67 0.00 0.00 6.79 7.95 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 76 H 8.28 5.05 0.00 3.09 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.98 3.41 1.59 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 0.54 0.00 0.00 0.80 0.00 0.00 78 Y 7.54 4.44 0.00 3.11 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 79 D 8.04 4.55 0.00 2.89 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 80 V 7.65 3.64 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 1.02 0.00 0.00 0.94 0.00 0.00 81 I 7.88 3.65 2.01 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 1.39 0.47 1.00 0.00 0.00 82 F 8.04 3.93 0.00 3.24 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 83 S 8.20 4.32 0.00 4.07 3.99 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 84 L 7.98 4.01 0.00 1.72 1.56 0.71 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.76 3.85 4.11 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 1.10 0.00 0.00 86 L 7.05 4.32 0.00 1.69 1.62 0.68 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.14 3.59 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 0.64 0.00 0.00 0.87 0.00 0.00 88 S 8.58 4.19 0.00 3.87 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 89 D 7.60 4.88 0.00 2.91 2.60 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 90 I 7.93 4.11 1.62 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.74 0.37 0.00 0.00 91 N 8.94 4.17 0.00 2.91 3.01 0.00 0.00 7.12 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 92 G 8.53 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 0.00 0.00 0.00 0.00 93 N 7.79 4.75 0.00 3.17 3.02 0.00 0.00 6.46 8.34 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 94 K 8.72 4.14 0.00 1.75 1.78 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.48 7.81 95 A 7.76 4.87 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 96 I 8.52 4.70 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.14 0.93 0.00 0.00 97 I 8.38 5.12 1.93 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.00 0.83 0.00 0.00 98 K 8.90 4.77 0.00 1.87 1.89 0.00 1.41 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.43 7.81 99 V 8.45 4.31 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 0.72 0.00 0.00 0.95 0.00 0.00 100 L 9.49 4.40 0.00 1.39 1.80 0.87 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 101 G 6.64 3.54 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 0.00 0.00 0.00 0.00 102 V 7.18 4.57 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 0.57 0.00 0.00 0.91 0.00 0.00 103 S 8.53 4.61 0.00 3.98 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 0.00 104 G 8.71 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.48 4.66 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 0.00 106 I 7.66 3.49 1.64 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 -0.35 0.81 0.00 0.00 107 K 7.92 3.87 0.00 1.78 1.81 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.46 7.81 108 R 7.85 3.93 0.00 1.91 2.08 0.00 3.37 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 109 L 7.80 4.21 0.00 2.01 1.90 0.83 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.91 4.01 0.00 1.92 1.98 0.00 2.26 0.00 0.00 1.91 0.00 0.00 3.11 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.63 1.61 7.81 111 R 8.07 4.15 0.00 2.18 1.86 0.00 3.22 0.00 0.00 3.16 8.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 112 K 6.83 3.67 0.00 0.91 0.90 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.28 1.30 7.81 113 F 8.10 4.84 0.00 2.95 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 0.00 114 L 7.78 4.38 0.00 1.58 0.91 -0.97 0.22 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 0.00 115 S 8.45 5.15 0.00 4.01 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 0.00 116 Q 7.99 4.51 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.66 0.00 117 F 8.54 4.69 0.00 3.33 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 0.00 118 G 9.01 4.01 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 0.00 0.00 0.00 119 W 7.86 4.83 0.00 3.52 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 0.00 120 R 8.48 4.26 0.00 1.90 1.88 0.00 3.23 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00