NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1010 8.0549 120.3916 62.3626 32.2792 175.1773 2 L 3.9602 8.2690 127.7547 52.5211 42.3015 176.2408 3 S 4.5030 9.8333 119.1116 57.7533 66.1781 175.0534 4 E 4.2833 8.8718 122.0046 59.7158 29.2789 179.8106 5 G 3.6918 8.1508 105.0522 47.9224 0.0000 175.1712 6 E 3.9001 8.1733 121.1337 59.0770 29.4058 179.6321 7 W 4.4229 8.1774 118.7773 59.8583 29.0738 178.3943 8 Q 4.0890 8.5777 119.7552 59.0688 28.3424 178.2749 9 L 4.0707 7.9821 120.0409 57.6673 41.6467 179.5667 10 V 3.7927 7.9871 118.1130 66.2713 31.5920 178.0422 11 L 4.3439 8.5342 118.3321 57.2650 41.3009 178.9198 12 H 4.2395 8.3285 118.4808 59.1665 30.2429 177.3133 13 V 3.7483 7.8203 121.3023 64.5397 31.4664 178.1718 14 W 3.8265 8.6497 128.8918 60.0066 30.3021 177.7429 15 A 4.0160 8.0883 120.1405 55.0221 17.8902 179.4591 16 K 3.9068 7.6918 116.9602 59.3115 31.9123 179.7413 17 V 2.9619 6.9434 118.1452 65.6206 31.1820 177.3051 18 E 3.9381 7.2861 114.8731 57.6255 29.3179 178.2188 19 A 4.1958 7.4016 120.9169 53.5121 20.0838 177.6277 20 D 4.6501 7.9727 116.5415 52.2818 42.9036 175.7272 21 V 3.5129 7.7631 123.5899 66.0009 32.1277 176.8062 22 A 4.0585 7.9694 120.1613 55.0010 18.2761 179.7076 23 G 3.6846 8.3537 105.6717 45.5081 0.0000 175.7497 24 H 4.1789 8.2666 118.7819 58.5110 28.6865 178.1860 25 G 3.5560 8.3768 107.8408 47.6739 0.0000 175.8169 26 Q 3.8790 8.1577 120.3215 58.9639 28.7332 178.6458 27 D 4.2880 7.9068 119.7802 57.3668 40.7287 179.0510 28 I 3.6635 7.9564 120.5959 64.3243 37.0593 178.5478 29 L 3.4205 7.8025 119.8495 57.4477 41.2522 179.5965 30 I 3.5798 7.6521 119.9507 64.3011 36.9727 178.3692 31 R 3.7766 7.9760 119.5767 59.2050 29.8824 178.1237 32 L 3.9355 7.9429 120.3042 58.4713 41.5562 179.1501 33 F 4.5872 8.1428 117.9043 60.4919 38.5540 177.9642 34 K 4.0603 8.1716 117.7516 59.4878 31.9815 179.3152 35 S 4.3008 8.1233 114.6014 60.2468 64.1818 174.5473 36 H 4.6751 8.0598 118.3113 52.1300 29.5914 171.8992 37 P 4.5912 0.0000 0.0000 64.4209 30.9595 177.4716 38 E 4.1102 8.2553 116.4060 59.4520 29.2593 179.1928 39 T 4.0082 8.1998 111.5857 64.6479 68.8791 176.4097 40 L 3.6137 7.8466 122.7533 57.5537 41.7908 178.3478 41 E 4.0821 7.7756 117.2379 58.3892 29.6549 178.2063 42 K 4.4497 8.0650 117.1600 57.1416 32.6352 177.2781 43 F 4.6136 8.1753 119.1127 55.6242 39.7486 175.5224 44 D 4.3566 8.5955 125.1636 57.4493 40.4405 178.7600 45 R 3.7991 7.8749 117.8163 58.3704 30.2062 176.6887 46 F 5.0607 8.1288 114.8055 56.6926 40.6856 176.5221 47 K 4.1375 7.6856 119.2504 58.5799 32.4332 177.6365 48 H 4.3847 8.0838 114.5724 57.0374 28.9743 175.1062 49 L 4.2426 7.7411 121.9215 54.1800 41.6656 176.6062 50 K 4.5127 9.5170 123.0091 56.2175 33.9838 176.6934 51 T 4.7423 7.4511 108.7445 58.8619 73.1663 174.1569 52 E 3.8888 8.6770 121.9205 59.3949 29.7970 178.8841 53 A 3.9680 7.9696 120.4059 55.2161 18.2393 179.2851 54 E 3.9414 8.1895 116.2971 59.7182 29.9356 179.1387 55 M 4.1602 8.1844 118.7662 58.4798 31.8623 179.0707 56 K 4.0205 8.1880 117.0627 58.7531 32.2692 178.5117 57 A 4.4409 7.5773 119.0646 51.9111 19.1519 177.0759 58 S 4.3226 7.4852 113.3740 57.3410 62.5756 174.4521 59 E 4.0240 8.8201 129.4257 59.2118 29.4754 177.9644 60 D 4.4143 8.1646 117.9821 57.0478 41.2791 177.8189 61 L 3.4963 8.0996 121.1040 57.7850 42.1639 178.8211 62 K 3.8627 7.9505 119.4762 59.3986 32.1169 178.7810 63 K 3.9768 8.3688 119.0149 59.9631 31.9443 178.8320 64 H 4.4245 8.6803 118.5016 58.9871 29.7676 177.4247 65 G 3.6034 8.4281 108.1702 47.7859 0.0000 175.8191 66 V 3.6233 7.7661 120.2560 65.9805 31.6350 178.1382 67 T 3.8793 8.0510 115.5432 66.6436 68.2826 176.6413 68 V 3.6013 7.9562 120.0782 66.2422 31.6083 178.2053 69 L 4.2531 8.1649 118.4691 57.7818 41.4192 179.6985 70 T 3.9780 8.3767 116.3012 66.5080 68.4937 176.5879 71 A 3.9953 7.9933 122.5583 55.0990 18.3570 179.4737 72 L 3.7915 8.2059 119.1404 57.9895 42.0722 179.3673 73 G 3.2579 8.5517 105.9628 47.7003 0.0000 175.5297 74 A 3.9992 7.7172 122.1411 54.7969 18.6141 179.5882 75 I 3.8224 7.4992 118.1751 64.5140 37.1807 178.6302 76 L 3.9758 7.8783 120.1608 57.5800 41.1896 179.3335 77 K 4.0351 7.7990 116.4668 57.9153 32.2596 178.4619 78 K 4.0108 7.8542 118.4934 55.5315 32.8265 176.3412 79 K 2.0000 8.3180 118.4789 56.3949 29.8033 175.0053 80 G 3.9648 7.8232 105.9539 45.8717 0.0000 173.7793 81 H 4.5407 7.4340 118.7953 55.3892 27.5496 174.9752 82 H 5.2313 7.2840 110.3978 54.3907 29.7337 176.3014 83 E 3.9191 8.5243 122.6976 60.2569 29.0577 178.4432 84 A 4.0331 7.9611 118.8343 55.2012 18.4655 178.9068 85 E 4.1488 8.0908 116.5357 59.2902 29.8204 179.1713 86 L 4.0461 8.3024 119.4372 57.3039 41.5653 178.8793 87 K 3.7786 8.0574 120.0499 59.5253 31.9876 176.9005 88 P 4.3924 0.0000 0.0000 65.6340 31.3084 178.1243 89 L 3.9851 7.5548 119.9125 57.9200 41.9884 178.7958 90 A 4.1249 8.5649 121.0886 55.2696 18.3433 179.6176 91 Q 3.8068 8.2756 116.9225 59.1502 28.7693 179.3017 92 S 4.0138 8.2691 115.3670 61.6446 63.0090 176.2255 93 H 4.1719 8.5759 119.7096 58.1663 28.4587 177.6522 94 A 2.9157 7.9961 123.2524 54.7695 17.8764 179.3674 95 T 3.5838 7.1652 105.7168 62.1212 69.6082 175.3174 96 K 4.2036 7.4143 120.2413 58.2844 33.4277 176.8915 97 H 4.3218 8.0211 114.3607 56.2487 29.2541 175.3169 98 K 3.7679 7.0179 114.5816 57.4176 29.1086 176.4778 99 I 4.2403 7.8235 119.5779 58.8230 38.5387 175.0096 100 P 4.4541 0.0000 0.0000 62.1151 32.1208 177.4590 101 I 3.3836 8.4521 122.2278 64.6680 36.8910 178.5609 102 K 3.7208 7.8627 119.6358 59.5357 32.0016 178.0737 103 Y 4.1248 8.0335 116.6009 60.2266 37.8027 177.8769 104 L 4.2020 7.9604 120.5179 57.3042 41.6924 178.8623 105 E 3.9536 7.8801 119.1006 59.2594 29.6452 178.6483 106 F 4.4752 7.7495 117.7959 60.8514 38.9233 177.5836 107 I 3.9144 8.1824 117.9973 63.8972 37.7625 178.0518 108 S 4.1804 8.3572 116.4525 61.5858 62.6051 176.4158 109 E 4.0761 8.5590 121.1588 59.3103 29.1669 179.2739 110 A 4.0338 8.1807 120.9398 55.0684 18.3927 179.6078 111 I 3.6771 8.1080 118.6610 64.8015 37.2547 178.7424 112 I 3.8346 7.9738 120.4760 64.5365 36.9451 178.0614 113 H 4.1413 8.4934 119.1629 59.3192 29.7808 177.4765 114 V 3.5805 7.9882 120.1069 66.0681 31.3378 177.9815 115 L 3.7910 7.9729 118.7964 57.8472 41.0353 179.0158 116 H 4.4474 7.9814 117.5503 59.3501 29.9060 177.2681 117 S 4.1814 7.9385 116.2535 61.3286 62.7428 176.2378 118 R 4.1141 7.7709 119.1488 57.3113 31.3333 176.4343 119 H 5.0329 8.1216 115.8084 54.0262 29.8985 173.0549 120 P 4.3156 0.0000 0.0000 65.7055 31.7835 179.0251 121 G 3.7649 8.0976 106.1098 47.1983 0.0000 173.6013 122 D 5.0163 8.0686 118.4495 54.0460 41.4905 176.4996 123 F 4.9702 7.9801 120.9727 56.2772 39.6776 174.6548 124 G 3.8713 7.8823 108.0355 44.1965 0.0000 172.6815 125 A 4.0135 8.4009 120.7924 54.7090 18.2444 179.5437 126 D 4.1892 7.9900 117.3055 56.8388 39.3935 178.7368 127 A 3.9567 7.7643 122.0599 54.4453 18.3382 179.4538 128 Q 3.2296 7.9706 117.3427 58.7457 28.6503 179.2101 129 G 3.4743 8.2751 106.9348 47.6159 0.0000 175.6817 130 A 3.8614 8.0525 123.2563 55.1064 18.2945 179.4565 131 M 4.0050 8.4591 117.1640 58.5031 32.2207 177.9022 132 N 4.2973 8.4896 117.7495 56.7460 39.1032 176.9898 133 K 3.8766 8.1670 119.6142 59.3499 32.0951 179.2421 134 A 3.8352 8.0970 121.2722 55.1324 18.2436 179.7313 135 L 4.1011 8.2928 117.7051 57.6929 41.6552 179.5525 136 E 3.9919 8.5393 119.2054 59.2084 29.3507 179.0305 137 L 4.0064 8.1934 120.5608 57.9615 42.1125 178.6060 138 F 4.1154 8.3843 120.6322 61.6185 39.3121 177.3966 139 R 3.5802 8.3147 117.5942 58.8820 29.8132 178.8940 140 K 3.8428 8.4378 119.8695 59.7689 32.0727 178.6152 141 D 4.3724 8.2133 119.0687 57.1332 40.6792 178.8607 142 I 3.5233 7.6430 120.3499 64.2286 36.9426 178.3165 143 A 3.6915 8.2189 121.7559 54.9586 18.1037 179.5766 144 A 3.9439 7.9697 119.4488 55.1521 18.5185 180.0760 145 K 4.0110 7.9137 117.3556 59.6315 32.1117 179.0433 146 Y 4.0993 8.4476 117.3692 61.1175 37.8352 178.8076 147 K 4.0071 8.4729 120.6130 59.3615 32.0795 178.0878 148 E 3.9226 7.9504 118.6266 59.5512 29.6444 178.4809 149 L 4.4094 7.6476 115.1946 55.3134 41.9743 177.7500 150 G 3.8811 8.1251 107.5283 45.5659 0.0000 173.4668 151 Y 4.5840 8.6426 115.2896 57.4336 38.6702 177.4847 152 Q 4.0644 8.2849 122.9040 56.9810 29.6071 176.0575 153 G 4.1015 7.4117 110.5982 45.8079 0.0000 173.0468 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 V 8.05 4.10 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 1.05 0.00 0.00 0.95 0.00 0.00 2 L 8.27 3.96 0.00 0.66 0.60 0.56 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.83 4.50 0.00 4.01 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 4 E 8.87 4.28 0.00 2.06 2.13 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 2.50 2.39 0.00 5 G 8.15 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 6 E 8.17 3.90 0.00 1.93 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 2.22 2.27 0.00 7 W 8.18 4.42 0.00 3.53 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 8 Q 8.58 4.09 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 9 L 7.98 4.07 0.00 1.97 1.74 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.99 3.79 2.51 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 1.22 0.00 0.00 0.89 0.00 0.00 11 L 8.53 4.34 0.00 1.86 1.82 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.33 4.24 0.00 3.32 3.57 0.00 5.95 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.82 3.75 2.48 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 1.01 0.00 0.00 0.84 0.00 0.00 14 W 8.65 3.83 0.00 3.71 3.25 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 0.00 15 A 8.09 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.69 3.91 0.00 1.43 1.51 0.00 1.59 0.00 0.00 1.45 0.00 0.00 2.72 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.40 7.81 17 V 6.94 2.96 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 0.00 0.00 0.04 0.00 0.00 0.11 0.00 0.00 18 E 7.29 3.94 0.00 1.90 1.93 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 2.26 1.91 0.00 19 A 7.40 4.20 1.25 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 0.00 0.00 0.00 20 D 7.97 4.65 0.00 2.63 2.52 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 21 V 7.76 3.51 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 1.06 0.00 0.00 0.90 0.00 0.00 22 A 7.97 4.06 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 23 G 8.35 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 0.00 0.00 0.00 24 H 8.27 4.18 0.00 3.27 3.23 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.38 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.16 3.88 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 27 D 7.91 4.29 0.00 2.74 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 I 7.96 3.66 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.76 0.88 0.00 0.00 29 L 7.80 3.42 0.00 1.28 0.77 0.76 0.48 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 30 I 7.65 3.58 1.83 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 1.35 0.58 0.87 0.00 0.00 31 R 7.98 3.78 0.00 1.85 1.98 0.00 2.94 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 32 L 7.94 3.94 0.00 1.77 1.50 1.09 1.34 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 33 F 8.14 4.59 0.00 2.99 2.87 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 0.00 0.00 0.00 0.00 34 K 8.17 4.06 0.00 1.76 1.83 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.62 7.81 35 S 8.12 4.30 0.00 3.73 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 36 H 8.06 4.68 0.00 3.03 2.75 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.59 0.00 2.14 2.09 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 38 E 8.26 4.11 0.00 2.29 2.28 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 2.03 2.39 0.00 39 T 8.20 4.01 4.54 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 0.99 0.00 0.00 40 L 7.85 3.61 0.00 1.28 1.73 0.01 1.02 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 41 E 7.78 4.08 0.00 2.06 2.24 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 2.38 2.44 0.00 42 K 8.06 4.45 0.00 1.96 1.72 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.74 1.93 7.81 43 F 8.18 4.61 0.00 3.17 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 44 D 8.60 4.36 0.00 2.65 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 45 R 7.87 3.80 0.00 1.46 0.86 0.00 2.99 0.00 0.00 2.80 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.41 0.00 46 F 8.13 5.06 0.00 2.86 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 K 7.69 4.14 0.00 2.00 2.22 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.72 1.40 7.81 48 H 8.08 4.38 0.00 3.32 3.49 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.74 4.24 0.00 1.62 1.58 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.52 4.51 0.00 1.65 1.81 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.48 7.81 51 T 7.45 4.74 4.23 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 1.21 0.00 0.00 52 E 8.68 3.89 0.00 2.04 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 0.00 2.35 2.35 0.00 53 A 7.97 3.97 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 54 E 8.19 3.94 0.00 2.10 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 2.36 2.35 0.00 55 M 8.18 4.16 0.00 2.04 2.26 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 2.80 2.58 0.00 56 K 8.19 4.02 0.00 1.84 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.56 7.81 57 A 7.58 4.44 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 58 S 7.49 4.32 0.00 3.94 3.86 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 59 E 8.82 4.02 0.00 2.14 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 2.40 2.45 0.00 60 D 8.16 4.41 0.00 2.91 2.95 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 61 L 8.10 3.50 0.00 1.36 1.60 -0.24 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.95 3.86 0.00 1.87 1.97 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.37 3.98 0.00 2.11 1.94 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.63 7.81 64 H 8.68 4.42 0.00 3.63 3.51 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.43 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 0.00 0.00 0.00 66 V 7.77 3.62 2.27 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 1.14 0.00 0.00 0.98 0.00 0.00 67 T 8.05 3.88 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 1.27 0.00 0.00 68 V 7.96 3.60 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 1.09 0.00 0.00 0.99 0.00 0.00 69 L 8.16 4.25 0.00 1.81 1.90 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.38 3.98 4.46 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 1.26 0.00 0.00 71 A 7.99 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 3.79 0.00 1.59 1.58 0.23 0.68 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 73 G 8.55 3.26 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 0.00 0.00 0.00 0.00 74 A 7.72 4.00 1.36 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 0.00 0.00 75 I 7.50 3.82 1.92 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 1.56 0.61 0.96 0.00 0.00 76 L 7.88 3.98 0.00 1.17 1.54 -0.19 1.04 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 77 K 7.80 4.04 0.00 1.71 1.80 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.50 7.81 78 K 7.85 4.01 0.00 1.82 1.79 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.59 1.76 7.81 79 K 8.32 2.00 0.00 1.20 0.74 0.00 1.48 0.00 0.00 1.42 0.00 0.00 2.65 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.30 0.69 7.81 80 G 7.82 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 81 H 7.43 4.54 0.00 3.16 3.24 0.00 5.80 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 82 H 7.28 5.23 0.00 3.28 3.43 0.00 5.66 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 83 E 8.52 3.92 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 2.39 2.47 0.00 84 A 7.96 4.03 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 85 E 8.09 4.15 0.00 2.26 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 2.40 2.46 0.00 86 L 8.30 4.05 0.00 1.83 1.67 0.93 0.83 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 87 K 8.06 3.78 0.00 2.02 1.84 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.49 7.81 88 P 0.00 4.39 0.00 2.32 2.30 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 89 L 7.55 3.99 0.00 1.75 1.89 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.56 4.12 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.28 3.81 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 92 S 8.27 4.01 0.00 3.88 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 0.00 93 H 8.58 4.17 0.00 3.50 3.56 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.00 2.92 -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 95 T 7.17 3.58 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 0.82 0.00 0.00 96 K 7.41 4.20 0.00 1.54 1.63 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.21 1.34 7.81 97 H 8.02 4.32 0.00 3.01 3.14 0.00 5.83 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 98 K 7.02 3.77 0.00 1.96 1.90 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.53 7.81 99 I 7.82 4.24 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.94 1.08 0.00 0.00 100 P 0.00 4.45 0.00 1.76 1.78 0.00 2.38 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.75 0.00 101 I 8.45 3.38 1.72 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.89 0.71 0.00 0.00 102 K 7.86 3.72 0.00 1.74 1.69 0.00 1.54 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 0.63 7.81 103 Y 8.03 4.12 0.00 3.09 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 0.00 104 L 7.96 4.20 0.00 1.81 1.81 0.63 0.65 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 0.00 105 E 7.88 3.95 0.00 1.94 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 2.43 2.42 0.00 106 F 7.75 4.48 0.00 3.26 2.81 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 0.00 107 I 8.18 3.91 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 1.10 0.00 0.00 108 S 8.36 4.18 0.00 4.16 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 0.00 109 E 8.56 4.08 0.00 2.29 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 2.63 2.61 0.00 110 A 8.18 4.03 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 0.00 111 I 8.11 3.68 2.09 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 1.60 0.72 1.05 0.00 0.00 112 I 7.97 3.83 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.04 1.17 0.00 0.00 113 H 8.49 4.14 0.00 3.35 3.48 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.99 3.58 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 0.88 0.00 0.00 0.95 0.00 0.00 115 L 7.97 3.79 0.00 0.94 0.48 0.80 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.98 4.45 0.00 3.57 3.57 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.94 4.18 0.00 3.97 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.77 4.11 0.00 1.48 1.49 0.00 2.69 0.00 0.00 2.64 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.53 0.00 119 H 8.12 5.03 0.00 3.19 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.32 0.00 2.19 2.21 0.00 3.72 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 121 G 8.10 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 0.00 0.00 0.00 122 D 8.07 5.02 0.00 2.77 2.82 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 0.00 0.00 0.00 123 F 7.98 4.97 0.00 3.02 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 0.00 124 G 7.88 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.40 4.01 1.26 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 0.00 0.00 0.00 126 D 7.99 4.19 0.00 2.87 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 0.00 127 A 7.76 3.96 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 0.00 128 Q 7.97 3.23 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 129 G 8.28 3.47 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 0.00 130 A 8.05 3.86 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 0.00 131 M 8.46 4.00 0.00 2.52 2.47 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.87 0.00 132 N 8.49 4.30 0.00 2.86 2.94 0.00 0.00 7.16 7.74 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 0.00 133 K 8.17 3.88 0.00 1.83 1.67 0.00 1.67 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.53 7.81 134 A 8.10 3.84 1.26 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 0.00 0.00 0.00 135 L 8.29 4.10 0.00 1.73 1.78 0.97 1.03 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 0.00 136 E 8.54 3.99 0.00 2.22 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 2.53 0.00 137 L 8.19 4.01 0.00 1.88 1.98 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.38 4.12 0.00 3.02 3.25 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 0.00 139 R 8.31 3.58 0.00 2.02 1.87 0.00 3.14 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.97 0.00 140 K 8.44 3.84 0.00 1.81 1.98 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 141 D 8.21 4.37 0.00 2.77 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 0.00 142 I 7.64 3.52 1.33 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.10 0.41 0.00 0.00 143 A 8.22 3.69 1.23 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 0.00 0.00 144 A 7.97 3.94 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 0.00 145 K 7.91 4.01 0.00 1.99 1.91 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.63 7.81 146 Y 8.45 4.10 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 0.00 147 K 8.47 4.01 0.00 1.93 2.00 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.95 3.92 0.00 2.04 2.25 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 2.35 2.39 0.00 149 L 7.65 4.41 0.00 1.99 1.96 0.80 0.93 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 0.00 150 G 8.13 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 0.00 151 Y 8.64 4.58 0.00 2.63 2.77 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 0.00 152 Q 8.28 4.06 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.76 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 153 G 7.41 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 0.00 0.00 0.00 0.00