NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2987 8.3044 120.3591 55.2546 33.3694 173.9607 2 K 4.3453 8.2552 123.3613 54.1048 33.6678 174.4745 3 W 4.8063 9.5811 127.8388 55.7695 31.8312 176.8694 4 M 4.4691 9.1605 125.1900 57.8747 31.4991 178.5620 5 F 4.2914 9.0696 121.0721 61.2675 39.3511 177.2525 6 K 4.1091 8.2190 116.7202 59.0224 31.8946 178.7223 7 E 4.1219 8.3545 119.2285 59.2024 29.1482 178.6323 8 D 4.3805 8.1247 117.7884 54.8427 41.4305 176.3935 9 H 4.7326 7.1574 115.5120 52.8160 32.0983 174.2161 10 S 4.3624 8.3606 118.6024 57.8420 64.9828 175.0352 11 L 3.9628 8.4508 123.8828 58.4801 41.7583 178.9877 12 E 3.9821 8.1727 117.8750 59.7542 29.5161 178.6740 13 H 4.1219 8.2722 118.1183 59.3284 29.9539 177.5363 14 R 4.1861 8.3562 120.0427 59.4702 29.9601 178.4637 15 C 4.6264 8.5053 120.2330 62.0892 31.5475 175.9182 16 V 3.6033 7.8679 119.7519 65.8108 31.1406 177.5268 17 E 3.9806 8.3494 119.3934 59.4368 29.5307 179.0578 18 S 3.7556 8.2573 114.0542 61.0554 63.0366 176.1721 19 A 3.9449 7.9967 124.4138 54.9168 18.1222 179.7958 20 K 3.8747 8.1236 116.8967 59.6981 32.1660 179.5524 21 I 3.8197 7.7033 118.8367 64.0676 37.6562 178.1747 22 R 3.9837 8.1756 118.5653 58.9355 29.9096 178.5569 23 A 4.0854 7.7146 120.0052 54.9456 18.4600 179.3279 24 K 3.9394 7.8208 117.2255 58.1713 33.7028 176.7382 25 Y 4.7449 8.0925 117.5406 54.9404 38.0012 174.1190 26 P 4.3771 0.0000 0.0000 64.8202 32.1216 177.0975 27 D 4.8438 8.0927 116.9439 53.8907 40.9910 175.4644 28 R 5.0107 7.7594 117.2927 54.3228 34.2891 174.7574 29 V 3.9244 8.7796 122.2066 60.1227 34.5222 172.7305 30 P 4.8603 0.0000 0.0000 62.5151 32.6810 175.1536 31 V 4.9523 9.3299 124.3931 60.9386 35.2439 173.9083 32 I 4.7654 8.5559 128.0335 59.4509 39.4777 174.5354 33 V 5.7450 8.9366 127.5817 60.5715 33.3785 174.6286 34 E 5.1447 9.1404 126.3752 54.1965 33.9861 175.1783 35 K 3.5303 8.5733 122.0841 56.0954 33.9106 176.8573 36 V 3.4276 8.2395 123.2790 62.9184 32.4039 175.4548 37 S 4.0023 8.4844 122.5013 60.0777 62.4732 174.4135 38 G 3.8798 8.8111 114.8823 45.4614 0.0000 173.6728 39 S 4.3075 7.7145 114.1937 57.7580 63.8305 174.3170 40 Q 4.0340 8.4592 122.6054 58.5963 29.2137 176.5260 41 I 3.8041 7.7213 116.5811 60.7806 38.4218 175.5052 42 V 3.7699 8.1632 124.8453 61.6514 31.7865 175.5146 43 D 4.7348 8.3989 120.5994 53.5330 41.9939 174.9093 44 I 4.5171 8.1088 122.2399 59.1904 39.6407 175.3294 45 D 4.5672 8.6004 125.1029 54.5319 40.0064 176.2092 46 K 4.5254 7.8839 120.3977 54.5264 34.9692 174.9251 47 R 4.8075 8.5966 124.9552 56.8793 32.5877 175.4056 48 K 4.9904 7.7943 117.7035 54.8271 33.8606 175.7090 49 Y 4.6361 9.3314 122.2526 56.0287 42.1840 174.6543 50 L 4.9266 8.5902 123.8626 53.3913 43.8801 174.8356 51 V 4.3667 8.5540 127.1329 59.9738 33.5985 173.1772 52 P 4.5942 0.0000 0.0000 63.3411 31.4618 177.5457 53 S 4.0910 9.1032 120.4229 61.5656 62.9640 176.0627 54 D 4.4676 7.9306 118.2431 55.5771 41.2907 176.6756 55 I 4.1193 7.4224 113.7031 60.5095 38.5283 175.8710 56 T 4.7237 9.2125 113.9167 60.8521 71.2090 176.1549 57 V 3.6524 8.4340 120.4042 66.1920 31.2973 177.8930 58 A 4.0300 8.0572 120.4795 55.3068 18.3336 179.7034 59 Q 4.0299 8.0312 116.2615 59.0509 28.8225 178.6409 60 F 4.2979 8.6870 122.1431 61.4306 39.4024 176.7720 61 M 3.7848 8.4900 118.3185 58.3149 31.9257 178.0697 62 W 4.0877 7.9482 128.5005 60.4134 30.8998 178.0256 63 I 3.5184 7.5390 119.4736 64.3179 36.4852 178.5282 64 I 3.2564 7.1133 120.5516 64.1195 36.8701 178.3802 65 R 3.5857 7.5831 119.5070 59.3080 29.8591 178.7449 66 K 3.6301 7.4898 118.2670 58.9894 31.7211 179.3406 67 R 3.8733 7.5567 118.7261 58.4517 30.0633 177.5845 68 I 4.1243 7.2511 109.7149 59.4000 38.8288 175.2556 69 Q 3.0882 7.3026 118.1523 56.8518 26.7047 174.0867 70 L 4.2929 7.5862 118.3867 52.9286 43.2372 174.2271 71 P 4.2346 0.0000 0.0000 63.1238 31.6909 177.4269 72 S 4.2264 8.8866 118.9650 61.2194 63.0558 175.7294 73 E 4.1198 8.1202 117.5944 58.7216 29.7568 177.7231 74 K 4.1766 8.0451 118.4850 55.7020 32.8678 176.4390 75 A 4.3491 8.3161 123.9545 51.7572 20.2393 176.3476 76 I 4.8858 7.7533 119.7133 59.6046 41.2624 174.7776 77 F 4.6978 9.4148 125.0140 55.6019 42.1408 174.1671 78 L 5.2470 8.2630 122.7264 53.3229 44.4398 175.4184 79 F 5.4125 9.5227 120.4711 55.9181 43.4496 173.9388 80 V 4.6595 9.0888 122.8550 61.3923 34.4675 175.0081 81 D 4.4681 9.6000 127.9608 55.6327 39.5367 172.6913 82 K 2.4800 7.9859 110.2540 56.3848 29.9106 175.7286 83 T 4.7600 7.5493 112.3358 62.1372 72.8630 173.8759 84 V 4.5727 8.7807 124.2686 60.7972 31.6427 174.2726 85 P 4.4436 0.0000 0.0000 62.3021 31.9214 176.1294 86 Q 4.1459 8.6180 119.7475 55.9508 29.2818 177.3625 87 S 4.1867 8.8869 117.6221 61.0718 63.0566 175.9823 88 S 4.4196 7.9250 113.3167 59.1450 63.7121 174.4493 89 L 4.3103 7.5996 122.5439 54.7861 42.1572 176.6600 90 T 4.6223 8.8665 112.8423 61.5041 71.1589 176.0741 91 M 4.1085 9.0348 122.7650 58.3652 31.8681 179.5204 92 G 3.5840 8.3100 106.3731 47.8925 0.0000 175.8979 93 Q 4.0480 8.0763 120.6590 58.5325 28.7642 178.4613 94 L 3.9809 8.1823 121.5764 58.1177 42.0206 178.3517 95 Y 4.0305 8.3352 119.7721 60.9681 38.5845 178.0464 96 E 3.8142 8.0811 117.9350 59.1025 29.5574 178.9678 97 K 4.1574 7.9270 118.9576 58.2805 32.4775 177.2202 98 E 4.5985 8.2751 115.2680 55.2694 30.5679 176.2283 99 K 3.8029 7.7535 119.1382 56.8867 33.0287 176.4714 100 D 4.5836 9.0727 121.5012 53.7146 41.8169 177.0344 101 E 4.0757 8.5900 120.8914 58.7149 29.8445 177.3723 102 D 4.6107 8.8795 118.9888 53.6669 39.6562 177.8781 103 G 4.5075 8.2904 108.4789 46.5570 0.0000 173.4746 104 F 4.9326 8.9919 118.8652 55.7980 42.0234 174.3338 105 L 4.9232 8.6515 123.5180 53.9092 43.8548 174.5936 106 Y 4.6610 8.6545 124.0970 56.4020 39.4472 175.0244 107 V 4.9055 9.4545 124.8758 61.1927 34.2875 174.2518 108 A 5.9400 9.9773 129.9879 50.0827 21.8161 174.9287 109 Y 5.9741 8.1379 116.2340 55.0105 42.0399 173.8147 110 S 4.5239 8.8535 114.1857 57.5640 66.3275 174.3719 111 G 4.2802 8.8723 110.2301 44.8702 0.0000 173.4205 112 E 4.6985 8.0672 116.9726 54.1116 32.8711 175.8354 113 N 4.0839 7.6554 118.9406 53.1141 37.4271 175.4455 114 T 3.4933 8.2766 121.3080 65.4397 68.7353 175.9014 115 F 4.6438 6.7479 118.5881 55.9831 39.6079 174.7393 116 G 4.1113 7.1490 106.1798 45.4144 0.0000 173.9349 117 F 4.3231 8.5255 117.0208 57.6785 39.0327 175.9665 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 4.30 0.00 1.78 1.96 0.00 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 2 K 8.26 4.35 0.00 1.82 1.66 0.00 1.89 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.58 7.81 3 W 9.58 4.81 0.00 3.47 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 4 M 9.16 4.47 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.65 0.00 5 F 9.07 4.29 0.00 3.41 3.36 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 6 K 8.22 4.11 0.00 2.05 1.89 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.62 7.81 7 E 8.35 4.12 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.68 0.00 8 D 8.12 4.38 0.00 2.31 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 0.00 0.00 0.00 0.00 9 H 7.16 4.73 0.00 2.70 2.91 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.36 4.36 0.00 4.05 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 11 L 8.45 3.96 0.00 1.80 1.74 0.97 0.97 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 12 E 8.17 3.98 0.00 2.13 2.02 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 2.42 2.45 0.00 13 H 8.27 4.12 0.00 3.30 3.48 0.00 5.78 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 14 R 8.36 4.19 0.00 2.20 2.43 0.00 3.11 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 15 C 8.51 4.63 0.00 3.19 3.13 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 0.00 0.00 0.00 0.00 16 V 7.87 3.60 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 0.94 0.00 0.00 1.02 0.00 0.00 17 E 8.35 3.98 0.00 2.17 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 0.00 2.63 2.46 0.00 18 S 8.26 3.76 0.00 3.78 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 19 A 8.00 3.94 1.43 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 0.00 0.00 20 K 8.12 3.87 0.00 1.94 1.86 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.59 7.81 21 I 7.70 3.82 1.97 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.30 0.81 0.00 0.00 22 R 8.18 3.98 0.00 1.82 1.95 0.00 3.41 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.80 0.00 23 A 7.71 4.09 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 24 K 7.82 3.94 0.00 1.69 1.65 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.32 1.09 7.81 25 Y 8.09 4.74 0.00 3.07 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 26 P 0.00 4.38 0.00 2.03 2.10 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.20 0.00 27 D 8.09 4.84 0.00 2.71 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 28 R 7.76 5.01 0.00 1.56 1.61 0.00 2.49 0.00 0.00 2.83 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 29 V 8.78 3.92 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 0.73 0.00 0.00 0.41 0.00 0.00 30 P 0.00 4.86 0.00 1.58 1.88 0.00 2.93 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.56 0.00 31 V 9.33 4.95 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 1.04 0.00 0.00 0.71 0.00 0.00 32 I 8.56 4.77 0.95 0.00 0.00 -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 0.08 -0.36 0.86 0.00 0.00 33 V 8.94 5.74 2.31 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 0.79 0.00 0.00 0.97 0.00 0.00 34 E 9.14 5.14 0.00 1.83 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 0.00 2.50 2.69 0.00 35 K 8.57 3.53 0.00 1.21 1.17 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.67 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.26 7.81 36 V 8.24 3.43 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 0.76 0.00 0.00 0.98 0.00 0.00 37 S 8.48 4.00 0.00 3.70 3.64 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 38 G 8.81 3.88 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 0.00 0.00 0.00 39 S 7.71 4.31 0.00 3.91 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 40 Q 8.46 4.03 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 41 I 7.72 3.80 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 1.69 1.03 0.86 0.00 0.00 42 V 8.16 3.77 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 0.79 0.00 0.00 0.96 0.00 0.00 43 D 8.40 4.73 0.00 2.68 2.66 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 44 I 8.11 4.52 1.95 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.00 1.14 0.00 0.00 45 D 8.60 4.57 0.00 2.83 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 46 K 7.88 4.53 0.00 1.59 1.60 0.00 0.61 0.00 0.00 1.02 0.00 0.00 2.71 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.94 1.14 7.81 47 R 8.60 4.81 0.00 2.02 1.93 0.00 3.43 0.00 0.00 3.77 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.99 0.00 48 K 7.79 4.99 0.00 1.57 1.66 0.00 1.66 0.00 0.00 1.90 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.01 1.40 7.81 49 Y 9.33 4.64 0.00 2.98 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 50 L 8.59 4.93 0.00 1.50 1.42 0.80 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.55 4.37 1.80 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 0.80 0.00 0.00 0.72 0.00 0.00 52 P 0.00 4.59 0.00 2.13 2.16 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 53 S 9.10 4.09 0.00 3.85 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 54 D 7.93 4.47 0.00 2.66 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 55 I 7.42 4.12 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.08 0.93 0.00 0.00 56 T 9.21 4.72 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 1.27 0.00 0.00 57 V 8.43 3.65 2.18 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 1.16 0.00 0.00 1.04 0.00 0.00 58 A 8.06 4.03 1.35 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 0.00 0.00 59 Q 8.03 4.03 0.00 2.36 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 60 F 8.69 4.30 0.00 3.06 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 61 M 8.49 3.78 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 62 W 7.95 4.09 0.00 3.36 3.24 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 63 I 7.54 3.52 1.78 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.02 0.86 0.00 0.00 64 I 7.11 3.26 1.53 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 -0.36 0.32 0.00 0.00 65 R 7.58 3.59 0.00 1.60 1.50 0.00 2.77 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.47 0.00 66 K 7.49 3.63 0.00 1.60 1.56 0.00 0.95 0.00 0.00 0.61 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 1.05 7.81 67 R 7.56 3.87 0.00 1.86 1.94 0.00 3.29 0.00 0.00 3.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 68 I 7.25 4.12 1.81 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 1.49 0.62 0.75 0.00 0.00 69 Q 7.30 3.09 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 70 L 7.59 4.29 0.00 1.51 1.45 0.92 0.69 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 71 P 0.00 4.23 0.00 2.21 1.98 0.00 3.65 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 72 S 8.89 4.23 0.00 3.92 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 73 E 8.12 4.12 0.00 2.08 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 2.34 0.00 74 K 8.05 4.18 0.00 1.86 1.79 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.39 7.81 75 A 8.32 4.35 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 76 I 7.75 4.89 1.75 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.65 0.87 0.00 0.00 77 F 9.41 4.70 0.00 2.97 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 78 L 8.26 5.25 0.00 1.56 1.62 0.96 1.06 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 79 F 9.52 5.41 0.00 3.21 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 80 V 9.09 4.66 2.17 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 1.01 0.00 0.00 1.06 0.00 0.00 81 D 9.60 4.47 0.00 2.91 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 82 K 7.99 2.48 0.00 1.47 0.74 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.44 1.12 7.81 83 T 7.55 4.76 4.41 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 1.29 0.00 0.00 84 V 8.78 4.57 2.18 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 1.03 0.00 0.00 1.03 0.00 0.00 85 P 0.00 4.44 0.00 2.27 2.10 0.00 3.98 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 2.03 2.03 0.00 86 Q 8.62 4.15 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 87 S 8.89 4.19 0.00 4.04 4.19 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 88 S 7.92 4.42 0.00 4.01 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 89 L 7.60 4.31 0.00 1.81 1.64 0.94 1.06 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 90 T 8.87 4.62 4.43 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 1.25 0.00 0.00 91 M 9.03 4.11 0.00 1.81 2.05 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.79 0.00 92 G 8.31 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.05 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 94 L 8.18 3.98 0.00 1.77 1.84 0.96 0.75 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 95 Y 8.34 4.03 0.00 3.10 3.15 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 96 E 8.08 3.81 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.51 0.00 97 K 7.93 4.16 0.00 1.76 2.03 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.47 7.81 98 E 8.28 4.60 0.00 2.00 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 2.23 2.36 0.00 99 K 7.75 3.80 0.00 1.29 0.92 0.00 1.01 0.00 0.00 0.82 0.00 0.00 2.73 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.14 1.13 7.81 100 D 9.07 4.58 0.00 2.93 3.13 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 0.00 0.00 0.00 0.00 101 E 8.59 4.08 0.00 2.11 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 0.00 2.28 2.32 0.00 102 D 8.88 4.61 0.00 3.15 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 0.00 103 G 8.29 4.51 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 0.00 0.00 0.00 104 F 8.99 4.93 0.00 3.08 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 0.00 105 L 8.65 4.92 0.00 2.01 1.73 0.97 0.85 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 0.00 106 Y 8.65 4.66 0.00 2.38 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.45 4.91 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 1.20 0.00 0.00 1.09 0.00 0.00 108 A 9.98 5.94 1.47 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 0.00 109 Y 8.14 5.97 0.00 3.08 3.04 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 0.00 110 S 8.85 4.52 0.00 3.93 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 0.00 111 G 8.87 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 0.00 112 E 8.07 4.70 0.00 1.93 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 2.14 2.25 0.00 113 N 7.66 4.08 0.00 1.83 2.46 0.00 0.00 7.01 7.22 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 0.00 114 T 8.28 3.49 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 -0.22 0.00 0.00 115 F 6.75 4.64 0.00 2.76 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 0.00 116 G 7.15 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 0.00 0.00 0.00 0.00 117 F 8.53 4.32 0.00 3.09 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