NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3128 8.3044 118.2010 54.6757 32.5095 174.5225 2 V 3.9294 8.2037 120.5116 62.4197 32.1865 174.0605 3 K 4.3307 9.1986 129.4477 55.6805 33.5330 175.7899 4 Q 4.4967 8.7537 127.7061 55.9936 29.7403 174.9040 5 I 4.3565 8.5311 128.3706 59.5905 38.4274 175.6210 6 E 4.6809 8.3484 126.3066 55.2230 30.6282 176.0042 7 S 4.5861 7.4722 111.8962 56.4771 66.3443 175.9299 8 K 4.0636 8.3690 123.4573 59.8401 31.8756 179.0728 9 T 3.8430 7.9614 115.4462 66.6979 68.4719 176.2005 10 A 3.9868 8.2493 122.7171 54.9440 18.3704 179.4463 11 F 4.0679 8.2608 119.1384 61.5981 39.6069 177.3204 12 Q 3.7129 8.2698 117.7530 58.9645 28.4339 178.7767 13 E 3.8898 8.4423 119.5758 59.4134 29.0114 179.3308 14 A 3.9006 7.9849 120.6983 55.1541 18.2002 179.6933 15 L 3.8252 7.3497 116.3827 57.2107 41.6955 178.9703 16 D 4.3539 7.7010 117.7260 57.1809 41.1128 178.1630 17 A 3.9893 8.0046 119.4893 54.6380 18.6327 179.0635 18 A 4.0452 7.8176 118.4392 51.0877 18.4187 180.4803 19 G 3.7257 8.0295 105.4244 47.0747 0.0000 175.9507 20 D 4.5171 9.1283 124.7236 55.2147 41.8212 175.9684 21 K 4.1144 7.6428 118.5095 55.9156 32.7808 176.4425 22 L 4.2552 8.4486 124.6535 55.5436 43.3859 175.5295 23 V 4.7609 8.6899 125.5898 61.0537 34.3014 174.0780 24 V 4.4460 8.6069 128.1192 60.9509 34.0807 174.1838 25 V 4.8065 8.5548 127.6254 61.1290 34.3675 173.5317 26 D 4.3373 8.9023 128.6970 52.7846 42.4872 175.2753 27 F 4.7584 8.6793 127.2961 56.7200 39.9800 175.2930 28 S 4.9920 8.7084 117.8653 56.3036 66.8597 172.6095 29 A 4.7086 7.6874 119.4004 50.1725 21.8833 177.7412 30 T 3.7803 8.4054 110.1729 64.0709 69.1332 175.4936 31 W 4.4818 7.5560 116.5580 56.7022 28.7597 175.9179 32 S 4.8080 7.3236 115.2405 56.4770 63.7090 174.1934 33 G 3.6230 8.6832 116.2476 47.6124 0.0000 173.3051 34 P 4.2846 0.0000 0.0000 65.4375 31.1212 178.6931 35 S 4.0443 7.5175 111.7215 61.6326 62.5209 176.6591 36 K 4.0995 7.7852 121.0733 59.5265 31.5170 179.0724 37 M 4.0568 7.7744 117.4316 58.5770 32.5514 177.5867 38 I 4.1865 7.6860 116.7820 62.0313 38.3739 177.3078 39 K 4.0557 7.6830 120.0840 59.7857 32.0094 176.6766 40 P 4.3531 0.0000 0.0000 65.5825 31.2599 178.3584 41 F 4.1939 8.3631 119.1292 61.0630 39.2596 176.6983 42 F 4.0791 8.6535 120.5151 61.7290 38.8837 176.6810 43 H 4.0021 8.3152 117.9443 59.1009 29.7520 177.3919 44 S 3.7464 8.0313 116.2205 61.0933 62.7326 176.4888 45 L 3.7652 7.2427 123.0095 57.3791 41.0259 179.4396 46 S 3.1759 6.4179 112.9237 60.3672 62.9082 175.6279 47 E 4.1268 6.9665 120.5196 57.4692 29.5379 178.0701 48 K 4.1429 7.3615 118.9953 57.9028 32.5946 176.7533 49 Y 4.5025 7.9596 120.7791 56.4335 38.1690 176.4914 50 S 4.3087 8.5822 122.1152 60.7010 63.4190 175.0624 51 N 4.8970 7.5591 113.7479 52.5129 37.2688 174.6711 52 V 4.5281 7.6050 116.9229 61.7689 34.9402 174.3634 53 I 4.5469 8.6137 127.5222 59.6656 39.7971 174.5128 54 F 5.1955 8.7956 124.2535 55.7079 41.7705 174.1601 55 L 5.3797 9.3937 123.9152 52.8359 45.3348 175.0005 56 E 4.9255 9.1973 123.0243 54.3500 32.7314 174.7563 57 V 4.3689 8.2653 126.3386 60.8628 34.5084 173.7643 58 D 4.9180 8.5196 128.9332 53.9276 41.6307 177.3410 59 V 3.7872 8.6829 120.2340 63.9737 31.4412 177.3009 60 D 4.6223 8.3507 119.7888 56.3565 41.4042 177.7768 61 D 4.4676 8.4282 118.2376 56.9205 41.6719 176.7121 62 C 4.8352 7.8927 116.3726 58.4510 27.8364 174.8076 63 Q 4.1851 7.8271 121.6734 58.6935 28.7877 178.1126 64 D 4.3374 8.0302 120.1380 56.3049 39.5593 178.7224 65 V 3.4664 7.6960 118.9712 65.5821 31.7563 177.5777 66 A 3.7211 7.9191 120.5522 55.2262 18.3298 179.6360 67 S 3.9688 8.1582 111.5298 61.4989 62.2778 176.0253 68 E 3.9990 8.1661 120.4209 59.5949 29.3672 178.4482 69 C 4.3767 7.9411 113.0858 58.8555 29.0374 173.1680 70 E 3.6701 7.7280 119.0842 57.1424 27.1686 175.4308 71 V 3.5344 7.3016 117.2067 62.7924 32.4916 174.9012 72 K 4.3739 8.6380 125.3965 57.4809 33.8091 176.0034 73 C 4.9529 7.2206 110.1651 57.8196 31.3757 172.8410 74 M 4.4624 8.2872 120.5400 52.8990 33.9964 173.6582 75 P 4.5188 0.0000 0.0000 62.8377 33.4362 174.9729 76 T 4.7661 7.9249 116.6227 61.6967 72.0797 172.9879 77 F 5.4945 8.4217 124.4658 55.1292 41.2307 174.6864 78 Q 5.1210 8.6470 122.2452 54.0759 32.1496 174.4465 79 F 5.2484 8.7126 120.3727 55.7826 42.5497 174.4100 80 F 5.2994 9.3951 120.8715 55.6609 43.5040 173.9834 81 K 4.5890 9.1743 123.5094 54.9301 35.0629 176.1543 82 K 3.7234 9.6575 128.3711 57.6356 29.1885 175.9620 83 G 3.9530 7.9812 103.1739 45.7752 0.0000 172.0374 84 Q 4.6732 7.7444 119.4678 53.7787 30.6016 174.7537 85 K 4.0875 8.6753 123.6328 56.2312 32.3356 176.5567 86 V 4.3213 7.9390 118.9930 60.6357 32.8509 175.5705 87 G 4.0535 7.5048 106.6816 46.1723 0.0000 172.1088 88 E 5.9800 9.1647 117.6920 56.3603 32.3623 174.5990 89 F 5.2175 8.3048 119.6732 56.0989 41.3769 172.9912 90 S 5.0610 9.1347 113.9994 56.9695 65.5125 174.3678 91 G 4.0601 8.6600 107.4241 45.7506 0.0000 173.8167 92 A 4.5572 8.1922 122.8920 51.2766 18.3371 179.5784 93 N 4.7079 8.0203 121.4341 52.1770 40.0505 174.2149 94 K 3.9329 8.3417 128.8730 59.4877 32.1085 179.1220 95 E 4.0356 8.0717 118.4186 59.1616 29.4792 179.0585 96 K 3.8088 8.4400 119.7796 58.8921 32.2132 178.7618 97 L 4.3657 7.9803 120.8945 58.3749 42.1274 178.6736 98 E 4.0661 8.4455 118.9271 59.1067 29.5899 178.4713 99 A 4.0149 8.3091 121.1466 55.5497 18.4460 179.8095 100 T 3.7069 8.1483 114.3373 66.4893 68.4206 177.0738 101 I 3.6495 7.6602 121.6861 64.5992 36.9043 178.2741 102 N 4.3603 7.9804 116.0007 56.0677 38.3963 176.8696 103 E 4.0160 8.0026 120.2565 58.7383 29.8287 178.0852 104 L 4.3624 7.6295 117.1640 55.3677 42.3309 176.9928 105 V 3.7719 7.5211 122.9884 61.8086 31.3574 175.8432 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 4.31 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 2 V 8.20 3.93 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 1.04 0.00 0.00 0.92 0.00 0.00 3 K 9.20 4.33 0.00 1.81 1.76 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.59 7.81 4 Q 8.75 4.50 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 5 I 8.53 4.36 1.94 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 1.27 1.14 1.01 0.00 0.00 6 E 8.35 4.68 0.00 1.91 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 0.00 2.19 2.19 0.00 7 S 7.47 4.59 0.00 4.00 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 8 K 8.37 4.06 0.00 2.04 1.89 0.00 1.76 0.00 0.00 1.85 0.00 0.00 3.32 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.59 1.62 7.81 9 T 7.96 3.84 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 1.21 0.00 0.00 10 A 8.25 3.99 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 11 F 8.26 4.07 0.00 3.19 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 12 Q 8.27 3.71 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 13 E 8.44 3.89 0.00 2.08 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 2.46 2.46 0.00 14 A 7.98 3.90 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 15 L 7.35 3.83 0.00 1.41 1.43 -0.10 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.70 4.35 0.00 2.76 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 17 A 8.00 3.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.82 4.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.03 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 20 D 9.13 4.52 0.00 2.63 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 21 K 7.64 4.11 0.00 1.87 1.71 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.44 7.81 22 L 8.45 4.26 0.00 1.76 1.48 1.09 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.69 4.76 2.19 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 0.94 0.00 0.00 0.95 0.00 0.00 24 V 8.61 4.45 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 0.88 0.00 0.00 0.71 0.00 0.00 25 V 8.55 4.81 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 0.18 0.00 0.00 1.20 0.00 0.00 26 D 8.90 4.34 0.00 1.58 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 0.00 0.00 0.00 27 F 8.68 4.76 0.00 2.89 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 28 S 8.71 4.99 0.00 3.65 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 29 A 7.69 4.71 0.07 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 30 T 8.41 3.78 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 1.18 0.00 0.00 31 W 7.56 4.48 0.00 3.52 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 32 S 7.32 4.81 0.00 3.18 3.45 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 33 G 8.68 3.62 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 0.00 0.00 0.00 34 P 0.00 4.28 0.00 2.15 2.17 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 35 S 7.52 4.04 0.00 3.80 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 36 K 7.79 4.10 0.00 1.87 1.86 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.58 7.81 37 M 7.77 4.06 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 38 I 7.69 4.19 2.03 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 1.76 1.41 1.21 0.00 0.00 39 K 7.68 4.06 0.00 2.10 2.04 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.51 7.81 40 P 0.00 4.35 0.00 2.30 2.15 0.00 3.91 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 41 F 8.36 4.19 0.00 3.18 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 42 F 8.65 4.08 0.00 3.38 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.32 4.00 0.00 3.27 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.03 3.75 0.00 3.94 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 45 L 7.24 3.77 0.00 1.17 1.45 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 46 S 6.42 3.18 0.00 3.58 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 47 E 6.97 4.13 0.00 1.80 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 2.16 2.04 0.00 48 K 7.36 4.14 0.00 1.54 1.70 0.00 1.58 0.00 0.00 1.44 0.00 0.00 2.56 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.49 1.10 7.81 49 Y 7.96 4.50 0.00 3.26 2.99 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 50 S 8.58 4.31 0.00 3.88 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 51 N 7.56 4.90 0.00 2.92 2.94 0.00 0.00 6.65 7.55 0.00 0.00 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 V 7.60 4.53 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 0.24 0.00 0.00 0.84 0.00 0.00 53 I 8.61 4.55 1.81 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 1.20 0.75 0.91 0.00 0.00 54 F 8.80 5.20 0.00 2.84 2.61 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 55 L 9.39 5.38 0.00 1.65 1.57 0.95 0.46 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 56 E 9.20 4.93 0.00 2.07 1.78 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 2.10 2.22 0.00 57 V 8.27 4.37 1.34 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 0.81 0.00 0.00 0.53 0.00 0.00 58 D 8.52 4.92 0.00 2.71 2.49 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 0.00 0.00 0.00 0.00 59 V 8.68 3.79 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 0.78 0.00 0.00 0.95 0.00 0.00 60 D 8.35 4.62 0.00 2.86 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 61 D 8.43 4.47 0.00 2.81 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 62 C 7.89 4.84 0.00 3.06 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 63 Q 7.83 4.19 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 64 D 8.03 4.34 0.00 2.87 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 65 V 7.70 3.47 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 0.48 0.00 0.00 0.87 0.00 0.00 66 A 7.92 3.72 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.16 3.97 0.00 3.93 4.04 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 68 E 8.17 4.00 0.00 2.22 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 2.39 2.44 0.00 69 C 7.94 4.38 0.00 2.62 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 70 E 7.73 3.67 0.00 2.08 1.95 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 2.22 2.37 0.00 71 V 7.30 3.53 1.74 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 0.53 0.00 0.00 -0.24 0.00 0.00 72 K 8.64 4.37 0.00 1.73 1.80 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.34 7.81 73 C 7.22 4.95 0.00 2.91 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 74 M 8.29 4.46 0.00 1.63 1.74 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.69 0.00 75 P 0.00 4.52 0.00 1.37 1.86 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 76 T 7.92 4.77 4.10 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 1.20 0.00 0.00 77 F 8.42 5.49 0.00 2.27 2.45 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 78 Q 8.65 5.12 0.00 2.32 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 79 F 8.71 5.25 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 80 F 9.40 5.30 0.00 2.97 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 81 K 9.17 4.59 0.00 1.80 1.64 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.43 7.81 82 K 9.66 3.72 0.00 1.92 1.81 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.43 7.81 83 G 7.98 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 0.00 0.00 0.00 84 Q 7.74 4.67 0.00 2.37 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 85 K 8.68 4.09 0.00 1.48 1.65 0.00 1.61 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.23 0.98 7.81 86 V 7.94 4.32 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 0.77 0.00 0.00 0.99 0.00 0.00 87 G 7.50 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 0.00 0.00 0.00 88 E 9.16 5.98 0.00 1.98 1.84 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 2.16 2.23 0.00 89 F 8.30 5.22 0.00 3.21 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 90 S 9.13 5.06 0.00 3.99 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 91 G 8.66 4.06 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 0.00 0.00 0.00 92 A 8.19 4.56 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 93 N 8.02 4.71 0.00 2.84 2.78 0.00 0.00 7.06 6.04 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 94 K 8.34 3.93 0.00 1.45 0.74 0.00 1.36 0.00 0.00 0.86 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.96 1.30 7.81 95 E 8.07 4.04 0.00 1.96 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 2.39 2.34 0.00 96 K 8.44 3.81 0.00 1.60 1.56 0.00 0.92 0.00 0.00 0.74 0.00 0.00 2.68 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.30 0.98 7.81 97 L 7.98 4.37 0.00 2.15 2.08 0.77 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.45 4.07 0.00 2.43 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 0.00 2.49 2.56 0.00 99 A 8.31 4.01 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 0.00 100 T 8.15 3.71 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 0.31 0.00 0.00 101 I 7.66 3.65 1.89 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.03 0.26 0.00 0.00 102 N 7.98 4.36 0.00 2.93 2.89 0.00 0.00 7.04 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 0.00 103 E 8.00 4.02 0.00 2.05 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 2.27 2.42 0.00 104 L 7.63 4.36 0.00 1.61 1.65 0.56 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 105 V 7.52 3.77 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 0.72 0.00 0.00 0.94 0.00 0.00