NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2335 8.3049 120.3489 50.4629 34.4872 171.6143 2 L 3.3683 8.1248 127.2072 53.4451 42.0270 173.4195 3 K 4.3018 9.2559 124.6784 56.9771 34.4624 175.3310 4 Q 5.1239 8.7559 120.8300 54.4730 30.8182 175.3932 5 V 4.7826 8.6808 122.6000 61.2514 35.7567 173.5629 6 E 4.9290 9.0258 125.5385 54.5728 32.2542 175.0013 7 I 4.9671 8.0524 123.9951 59.4229 40.9507 174.3487 8 F 5.5217 9.0712 125.3599 55.9348 41.9443 174.5391 9 T 5.3484 8.8018 112.3455 60.6992 72.1992 172.5074 10 D 4.6699 8.7493 119.1924 53.6508 45.1936 174.5654 11 G 4.4813 8.8566 110.5478 44.7290 0.0000 171.7586 12 S 4.9089 9.0859 115.3669 56.8660 66.4368 172.3320 13 C 5.1543 8.3858 124.3187 58.1792 34.1136 173.8237 14 L 4.3500 9.4174 125.2344 56.0372 42.1618 177.1066 15 G 3.9680 7.3347 106.4732 45.8518 0.0000 172.7761 16 N 4.9122 8.2087 111.1927 52.6992 40.0221 173.5666 17 P 4.6211 0.0000 0.0000 61.3664 33.8797 175.2250 18 G 3.9690 8.3445 106.2574 45.3052 0.0000 170.5958 19 P 4.9352 0.0000 0.0000 62.6263 32.4379 176.4736 20 G 4.2963 9.0559 110.3917 45.7381 0.0000 170.8530 21 G 4.6564 8.8072 105.7040 45.8681 0.0000 172.1088 22 Y 5.5311 8.1690 117.3504 55.0902 41.9763 174.6699 23 G 4.6756 9.4563 106.7242 44.9400 0.0000 171.3849 24 A 5.4430 9.1035 122.5779 50.7739 23.5500 175.2705 25 I 5.0228 9.1886 121.9801 59.4334 40.8486 174.2117 26 L 5.2069 9.4882 129.5191 53.3454 44.3163 174.8720 27 R 5.3312 9.2652 126.9515 54.8764 33.6205 173.5193 28 Y 4.7864 9.7512 127.2567 56.3751 42.2303 175.2672 29 R 3.4132 9.0363 126.8421 57.1893 27.7386 177.3251 30 G 3.9860 8.1330 104.5335 45.4783 0.0000 173.7077 31 R 4.5792 8.1310 120.4378 55.2191 31.5336 175.4669 32 E 5.1474 8.7618 120.9326 54.6035 32.8744 174.9609 33 K 4.5357 9.6792 122.5477 54.9919 34.9764 175.2755 34 T 4.8976 8.0257 120.4361 62.1079 70.8620 174.1073 35 F 5.1696 8.8638 122.8139 56.1191 43.4395 173.8922 36 S 4.9072 8.8911 113.9295 58.7142 65.3329 174.7132 37 A 4.2667 6.8675 120.2986 51.0666 22.3840 175.2780 38 G 4.3933 8.2506 107.0999 44.5485 0.0000 171.5698 39 Y 5.3947 9.0279 120.6576 55.9657 40.9104 177.0187 40 T 3.8894 9.0411 114.3278 64.6790 70.1522 173.9031 41 R 4.4646 7.8930 122.3362 55.8870 32.2916 173.5204 42 T 3.9996 8.5839 122.9129 61.4036 71.0463 172.1398 43 T 4.7699 7.8526 108.9693 59.1213 72.0879 174.1385 44 N 4.2617 8.5586 120.1052 56.8181 38.8865 176.8150 45 N 4.0968 7.8030 117.3138 56.3779 38.6606 177.3472 46 R 3.8571 7.7699 119.3222 59.6072 30.1107 179.1073 47 M 4.1415 7.9802 118.1441 58.2306 31.9712 178.6902 48 A 4.0822 8.0907 121.0497 55.0793 18.5831 179.7448 49 L 3.8786 8.0042 117.5243 58.0451 41.6025 179.2578 50 M 3.7371 8.3618 118.2885 58.4597 31.9210 177.9700 51 A 3.6304 7.9354 120.5446 55.0412 18.4736 179.5506 52 A 3.8688 7.5556 117.6614 55.3158 18.5214 179.5534 53 I 3.5316 7.5820 118.3248 64.8225 37.0100 178.6711 54 V 3.3650 7.4514 117.3055 65.8204 31.4747 177.7109 55 A 3.5833 7.4529 120.2251 54.8791 18.2257 179.6299 56 L 3.7678 7.8991 117.6544 58.0069 41.6060 179.5183 57 E 4.0842 8.2704 116.2279 58.2246 29.4134 178.3340 58 A 4.2015 7.2425 119.5154 52.2153 19.1989 177.4552 59 L 4.2164 7.5974 118.7071 54.3971 42.3475 177.5513 60 K 4.6473 8.1960 123.3839 55.1729 32.9897 176.0105 61 E 5.0068 7.9862 115.6239 55.7384 31.0197 175.6850 62 H 4.3087 8.9327 117.9167 56.4120 29.1630 174.2470 63 C 5.0684 9.1316 119.8443 57.7606 32.7573 172.6774 64 E 4.6781 9.2994 123.0337 55.2688 30.4681 174.8848 65 V 4.7186 9.0781 128.4048 60.9893 34.6020 174.1282 66 I 4.4132 8.0600 128.0091 59.4219 39.6507 173.9438 67 L 4.4832 8.1137 133.8446 53.6666 43.2786 174.8998 68 S 5.4044 8.9888 123.3659 56.3631 64.0506 172.7116 69 T 5.1175 8.4936 120.1636 61.1906 70.5975 173.1451 70 D 5.1263 8.8560 125.6398 52.6004 40.2966 176.6853 71 S 4.3149 8.2118 116.4356 58.4586 63.1179 174.3299 72 Q 3.8432 8.7573 130.6188 59.1575 28.9507 177.0912 73 Y 4.1390 8.0692 120.1639 60.8846 38.8753 178.1817 74 V 3.6636 8.2763 119.3807 65.9473 31.5891 177.8867 75 R 2.5100 7.5085 118.2639 58.8393 29.7177 178.2791 76 Q 3.3131 7.8301 119.7615 58.7069 28.9089 178.4948 77 G 2.3107 7.0359 106.6312 47.2854 0.0000 175.8998 78 I 3.6575 7.4534 121.9685 63.6591 37.2087 177.8423 79 T 4.1207 7.2038 107.8755 62.3478 69.1605 175.3975 80 Q 4.0875 7.2029 117.9968 55.7117 32.0682 176.6037 81 W 3.9485 6.7830 116.2105 57.9717 29.9850 177.8544 82 I 3.2074 7.0046 118.8356 64.3750 37.3673 177.0997 83 H 3.9953 7.7736 117.9808 59.4812 29.7092 176.8033 84 N 4.2752 7.7706 117.6254 55.8906 38.2646 177.0927 85 W 4.1338 7.6907 120.3140 59.8277 28.9371 178.6474 86 K 3.5127 7.2408 115.7713 58.2179 31.4705 178.2657 87 A 4.3901 7.0575 118.8579 53.0905 19.6294 178.3644 88 R 4.4272 7.9020 114.5685 55.3996 30.5109 176.5336 89 G 3.8351 8.0638 106.1079 46.5645 0.0000 173.6047 90 W 3.2781 8.4686 116.0158 57.3773 27.1148 174.2490 91 K 4.9984 7.6820 114.4793 54.5671 35.8861 177.1782 92 T 4.2752 8.5637 110.9465 60.9639 70.8976 174.2111 93 A 4.1242 8.6410 123.1543 55.8643 18.4181 179.6893 94 D 4.7474 7.9299 113.2526 54.5534 40.3252 176.5706 95 K 3.8133 7.7735 114.8777 58.6714 30.1977 174.8806 96 K 4.6874 7.8514 117.5204 53.4591 36.4021 174.8568 97 P 4.5895 0.0000 0.0000 62.8720 31.9651 176.8313 98 V 3.7142 7.7952 116.4946 60.6452 32.8491 175.6600 99 K 4.0195 8.4684 125.0991 57.4117 32.9059 176.1310 100 N 4.6202 9.3823 122.9029 54.0094 36.1953 176.6906 101 V 3.7072 7.6067 121.3930 64.8584 31.0196 177.2319 102 D 4.2279 8.0202 119.3964 56.5403 39.1907 178.4643 103 L 4.1042 7.8097 120.0845 56.8028 41.8497 179.2005 104 W 4.3904 8.3679 119.0461 59.8856 29.0162 178.5717 105 Q 3.5426 8.0419 118.2119 58.4967 28.0677 178.5117 106 R 3.8834 7.6403 118.9579 59.0532 30.1044 178.3977 107 L 3.9720 8.2370 120.4606 58.0762 42.1854 178.1526 108 D 4.5972 8.4975 117.8562 57.6404 40.9644 178.2282 109 A 4.0398 7.9622 119.3053 55.0999 18.6965 179.1655 110 A 4.0848 8.0801 119.1793 55.3547 18.5500 179.6663 111 L 4.0820 8.6023 118.0472 58.0749 41.5981 179.9073 112 G 3.8986 8.1036 103.4365 46.7255 0.0000 173.8588 113 Q 4.3140 7.8079 119.7820 56.0567 28.8265 174.2415 114 H 4.7945 7.8514 114.6136 55.2014 33.9078 173.2719 115 Q 4.4309 9.0498 119.1362 54.8676 29.2137 175.2031 116 I 4.3003 8.0928 125.1338 60.1899 38.6915 175.9131 117 K 4.3264 9.2321 128.4665 54.1525 34.3787 174.6389 118 W 4.2751 8.5441 127.6216 56.1426 30.1416 175.8858 119 E 4.2056 8.9268 126.5974 54.0876 30.6513 174.5539 120 W 4.9656 8.2840 126.8649 55.8647 28.8948 176.0070 121 V 3.9088 8.5245 118.8359 61.1259 32.3461 176.1649 122 K 4.5042 9.0872 124.2943 55.9156 33.3066 178.8408 123 G 4.0521 8.1810 112.2223 48.7373 0.0000 174.6195 124 H 4.7145 8.3111 112.5839 54.9975 29.5091 174.4446 125 A 4.4139 8.3115 124.2157 52.2709 19.0899 177.2046 126 G 3.9572 7.7851 109.0648 45.9637 0.0000 173.1030 127 H 4.9759 8.3789 115.9712 52.8688 32.9361 173.7570 128 P 4.2852 0.0000 0.0000 65.6737 30.9143 178.9970 129 E 3.6952 7.6917 117.3173 59.2259 29.3835 178.8015 130 N 4.4482 7.8639 116.0384 56.3676 38.7068 177.1714 131 E 3.9929 8.0198 119.5791 59.3620 29.5053 179.2995 132 R 3.8935 7.9340 118.7335 59.7767 30.0790 178.4174 133 C 4.2322 8.1818 116.4768 62.6961 27.9758 175.6242 134 N 4.7807 7.9838 119.9513 56.2028 38.4893 176.8815 135 E 3.9766 8.3814 120.1087 59.2047 29.4439 179.3489 136 L 3.9292 8.1849 118.8853 57.6857 41.6992 179.2566 137 A 4.0423 8.3532 121.0269 55.5062 18.1502 179.9646 138 R 3.8639 8.1119 115.0986 59.1917 30.2465 178.9492 139 A 4.1014 8.2622 120.5697 55.1216 18.4377 179.5741 140 A 3.8682 8.3348 119.4766 55.2196 18.2143 179.7376 141 A 4.1323 8.0826 118.3834 55.0372 18.5120 178.8194 142 M 4.3470 7.4561 115.0168 55.5918 33.7442 176.3170 143 N 4.9925 7.7889 117.3891 51.5070 39.4976 172.1929 144 P 4.4320 0.0000 0.0000 62.8936 32.5952 177.1014 145 T 4.4644 8.2575 109.3343 60.8366 70.6099 173.3471 146 L 4.6852 7.5915 121.6675 52.6634 44.7684 174.4483 147 E 4.9446 8.4576 120.3716 54.7142 31.5971 176.1132 148 D 4.8403 8.5938 126.4495 52.7165 39.8128 176.3152 149 T 3.9639 8.2637 113.7732 63.9250 69.1030 176.5936 150 G 3.6568 8.0957 109.1695 46.9690 0.0000 172.7759 151 Y 4.2220 7.8953 122.1302 57.1721 38.6874 175.2342 152 Q 3.8242 8.2212 127.4319 54.6144 28.1364 175.9294 153 V 2.9150 7.7701 123.3231 63.4290 31.4384 175.5928 154 E 4.2187 8.4111 126.4651 55.9026 30.0401 176.8682 155 V 3.7106 7.7162 123.8309 62.1043 33.0606 173.4272 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 4.23 0.00 2.00 1.99 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 2.59 0.00 2 L 8.12 3.37 0.00 1.93 1.70 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 3 K 9.26 4.30 0.00 1.70 1.93 0.00 1.41 0.00 0.00 1.20 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.62 1.48 7.81 4 Q 8.76 5.12 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 5 V 8.68 4.78 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 1.04 0.00 0.00 1.01 0.00 0.00 6 E 9.03 4.93 0.00 2.01 1.46 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 2.22 2.20 0.00 7 I 8.05 4.97 1.61 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.87 0.81 0.00 0.00 8 F 9.07 5.52 0.00 3.02 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 9 T 8.80 5.35 4.35 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 1.28 0.00 0.00 10 D 8.75 4.67 0.00 2.83 2.59 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 11 G 8.86 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.09 4.91 0.00 3.89 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 13 C 8.39 5.15 0.00 2.94 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 14 L 9.42 4.35 0.00 1.69 1.70 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.33 3.97 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 0.00 0.00 0.00 16 N 8.21 4.91 0.00 2.67 2.68 0.00 0.00 6.83 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 17 P 0.00 4.62 0.00 1.99 1.94 0.00 3.95 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 18 G 8.34 3.97 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 0.00 0.00 0.00 19 P 0.00 4.94 0.00 2.09 2.01 0.00 3.85 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 2.12 2.13 0.00 20 G 9.06 4.30 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 0.00 21 G 8.81 4.66 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 22 Y 8.17 5.53 0.00 3.25 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 23 G 9.46 4.68 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 0.00 0.00 0.00 24 A 9.10 5.44 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.19 5.02 2.12 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 1.17 1.01 1.04 0.00 0.00 26 L 9.49 5.21 0.00 2.01 1.93 0.95 0.76 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 27 R 9.27 5.33 0.00 2.01 1.85 0.00 3.12 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 28 Y 9.75 4.79 0.00 2.85 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 29 R 9.04 3.41 0.00 1.53 1.70 0.00 3.24 0.00 0.00 2.87 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 30 G 8.13 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 0.00 0.00 0.00 31 R 8.13 4.58 0.00 2.02 1.92 0.00 3.25 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 32 E 8.76 5.15 0.00 1.96 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 2.16 2.29 0.00 33 K 9.68 4.54 0.00 1.61 1.38 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.40 7.81 34 T 8.03 4.90 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 1.17 0.00 0.00 35 F 8.86 5.17 0.00 3.14 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 36 S 8.89 4.91 0.00 3.70 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 37 A 6.87 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.25 4.39 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 0.00 39 Y 9.03 5.39 0.00 2.90 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 40 T 9.04 3.89 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 1.22 0.00 0.00 41 R 7.89 4.46 0.00 1.84 1.92 0.00 3.39 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 42 T 8.58 4.00 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 1.14 0.00 0.00 43 T 7.85 4.77 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 0.92 0.00 0.00 44 N 8.56 4.26 0.00 2.74 2.80 0.00 0.00 6.90 6.71 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 45 N 7.80 4.10 0.00 2.37 1.71 0.00 0.00 7.14 7.66 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 46 R 7.77 3.86 0.00 1.83 1.84 0.00 3.43 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 47 M 7.98 4.14 0.00 2.33 2.26 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.79 0.00 48 A 8.09 4.08 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.00 3.88 0.00 1.71 1.45 0.36 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.36 3.74 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.45 0.00 51 A 7.94 3.63 1.55 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 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.56 3.87 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 53 I 7.58 3.53 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.54 0.84 0.00 0.00 54 V 7.45 3.37 1.75 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 0.47 0.00 0.00 0.71 0.00 0.00 55 A 7.45 3.58 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 56 L 7.90 3.77 0.00 1.75 1.66 0.87 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.27 4.08 0.00 1.77 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 2.30 2.44 0.00 58 A 7.24 4.20 1.24 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 0.00 0.00 59 L 7.60 4.22 0.00 1.68 1.58 0.53 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.20 4.65 0.00 1.67 1.75 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.37 7.81 61 E 7.99 5.01 0.00 2.06 1.89 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 1.96 2.07 0.00 62 H 8.93 4.31 0.00 3.00 3.34 0.00 5.88 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 9.13 5.07 0.00 2.76 2.74 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 0.00 0.00 0.00 0.00 64 E 9.30 4.68 0.00 1.99 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 65 V 9.08 4.72 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 0.60 0.00 0.00 0.73 0.00 0.00 66 I 8.06 4.41 1.72 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.26 0.73 0.00 0.00 67 L 8.11 4.48 0.00 0.81 0.43 0.01 0.55 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 68 S 8.99 5.40 0.00 3.72 3.60 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 69 T 8.49 5.12 4.49 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 1.72 0.00 0.00 70 D 8.86 5.13 0.00 2.89 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 71 S 8.21 4.31 0.00 4.08 3.97 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 72 Q 8.76 3.84 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 73 Y 8.07 4.14 0.00 3.18 3.07 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 74 V 8.28 3.66 2.22 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 1.11 0.00 0.00 1.03 0.00 0.00 75 R 7.51 2.51 0.00 0.85 1.37 0.00 2.38 0.00 0.00 2.55 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 76 Q 7.83 3.31 0.00 1.81 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 1.71 1.97 0.00 77 G 7.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.45 3.66 1.54 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.12 0.63 0.00 0.00 79 T 7.20 4.12 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 0.96 0.00 0.00 80 Q 7.20 4.09 0.00 1.34 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.01 1.87 0.00 81 W 6.78 3.95 0.00 1.78 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 0.00 0.00 0.00 0.00 82 I 7.00 3.21 1.71 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.25 0.82 0.00 0.00 83 H 7.77 4.00 0.00 3.14 3.14 0.00 5.92 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 84 N 7.77 4.28 0.00 2.64 2.74 0.00 0.00 7.04 7.68 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 85 W 7.69 4.13 0.00 2.68 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 0.00 0.00 0.00 0.00 86 K 7.24 3.51 0.00 1.63 1.87 0.00 1.88 0.00 0.00 2.51 0.00 0.00 3.22 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.78 1.18 7.81 87 A 7.06 4.39 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 88 R 7.90 4.43 0.00 1.80 1.95 0.00 3.18 0.00 0.00 3.25 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 89 G 8.06 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 0.00 0.00 0.00 90 W 8.47 3.28 0.00 3.53 3.21 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 91 K 7.68 5.00 0.00 1.69 1.65 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.63 7.81 92 T 8.56 4.28 4.22 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 1.18 0.00 0.00 93 A 8.64 4.12 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 94 D 7.93 4.75 0.00 2.79 2.76 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 95 K 7.77 3.81 0.00 1.87 1.84 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.53 7.81 96 K 7.85 4.69 0.00 1.69 1.61 0.00 1.68 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.64 7.81 97 P 0.00 4.59 0.00 1.89 1.95 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 98 V 7.80 3.71 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 0.22 0.00 0.00 0.33 0.00 0.00 99 K 8.47 4.02 0.00 1.78 1.83 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.68 7.81 100 N 9.38 4.62 0.00 3.36 3.03 0.00 0.00 7.35 7.68 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 0.00 101 V 7.61 3.71 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 0.76 0.00 0.00 0.81 0.00 0.00 102 D 8.02 4.23 0.00 2.85 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.81 4.10 0.00 1.59 1.59 0.80 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.37 4.39 0.00 3.54 3.75 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 0.00 105 Q 8.04 3.54 0.00 1.85 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 106 R 7.64 3.88 0.00 1.99 2.02 0.00 3.05 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 107 L 8.24 3.97 0.00 1.88 2.01 1.04 1.22 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 0.00 108 D 8.50 4.60 0.00 3.46 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 0.00 109 A 7.96 4.04 1.38 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 0.00 0.00 110 A 8.08 4.08 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 0.00 111 L 8.60 4.08 0.00 2.00 1.89 1.40 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.10 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 0.00 113 Q 7.81 4.31 0.00 2.02 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.46 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 114 H 7.85 4.79 0.00 2.96 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 9.05 4.43 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 116 I 8.09 4.30 1.77 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.66 -0.05 0.00 0.00 117 K 9.23 4.33 0.00 1.57 1.61 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.72 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.21 1.31 7.81 118 W 8.54 4.28 0.00 2.63 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 0.00 0.00 0.00 0.00 119 E 8.93 4.21 0.00 1.84 1.73 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 2.21 2.25 0.00 120 W 8.28 4.97 0.00 3.26 3.07 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 0.00 121 V 8.52 3.91 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 1.03 0.00 0.00 1.12 0.00 0.00 122 K 9.09 4.50 0.00 1.80 1.78 0.00 1.77 0.00 0.00 1.91 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.42 7.81 123 G 8.18 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 0.00 124 H 8.31 4.71 0.00 3.29 3.41 0.00 5.52 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.31 4.41 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 0.00 126 G 7.79 3.96 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 0.00 0.00 0.00 127 H 8.38 4.98 0.00 3.20 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.29 0.00 2.06 2.05 0.00 3.54 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 129 E 7.69 3.70 0.00 1.16 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 1.47 2.02 0.00 130 N 7.86 4.45 0.00 2.96 2.96 0.00 0.00 7.12 7.66 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 0.00 131 E 8.02 3.99 0.00 2.14 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 2.34 2.48 0.00 132 R 7.93 3.89 0.00 2.02 2.06 0.00 3.13 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 133 C 8.18 4.23 0.00 3.30 3.21 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 0.00 134 N 7.98 4.78 0.00 2.92 3.00 0.00 0.00 7.03 7.14 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 0.00 135 E 8.38 3.98 0.00 2.26 1.98 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 2.33 2.35 0.00 136 L 8.18 3.93 0.00 1.90 1.71 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.35 4.04 1.52 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 0.00 0.00 0.00 138 R 8.11 3.86 0.00 1.86 2.02 0.00 3.29 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 139 A 8.26 4.10 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 0.00 140 A 8.33 3.87 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 0.00 141 A 8.08 4.13 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 0.00 142 M 7.46 4.35 0.00 1.94 2.11 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 2.60 2.77 0.00 143 N 7.79 4.99 0.00 2.61 2.63 0.00 0.00 7.15 7.09 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 0.00 144 P 0.00 4.43 0.00 2.27 2.04 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 145 T 8.26 4.46 4.17 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 1.21 0.00 0.00 146 L 7.59 4.69 0.00 0.93 1.31 0.64 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.46 4.94 0.00 1.95 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 2.29 2.35 0.00 148 D 8.59 4.84 0.00 2.69 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 0.00 149 T 8.26 3.96 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 1.27 0.00 0.00 150 G 8.10 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 0.00 151 Y 7.90 4.22 0.00 3.06 3.11 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 0.00 152 Q 8.22 3.82 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 153 V 7.77 2.91 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 0.83 0.00 0.00 0.87 0.00 0.00 154 E 8.41 4.22 0.00 2.03 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 2.28 2.37 0.00 155 V 7.72 3.71 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 0.65 0.00 0.00 0.95 0.00 0.00