NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4865 8.3049 120.3248 55.1615 33.5264 174.7123 2 D 4.2892 8.7359 118.4834 56.6254 40.9107 175.0237 3 K 4.6453 7.8231 115.4844 54.2942 36.9078 175.3525 4 V 4.1153 8.0198 121.4036 61.5050 33.7935 174.2165 5 Y 4.4023 8.3359 125.3574 55.4668 38.3614 174.6040 6 L 4.1999 7.8235 123.7637 54.7955 42.5951 176.9834 7 T 4.3781 8.8533 113.4175 60.4522 70.7654 175.7876 8 W 4.4432 9.0193 122.6177 60.1323 29.0682 178.5891 9 W 4.2985 8.5856 127.6314 60.5570 30.3283 177.9841 10 Q 3.6848 8.3110 117.8973 58.6826 28.1084 178.7196 11 V 3.8711 8.0522 119.3104 66.3184 31.7820 177.8541 12 D 4.3546 8.6164 118.9685 57.4329 40.6043 178.9599 13 R 4.0725 7.8221 118.2271 58.4499 29.9949 178.9524 14 A 3.7964 7.7500 120.7113 55.2767 18.4519 179.5386 15 I 3.6754 8.0459 118.7112 64.7716 36.9537 178.7434 16 F 4.4358 8.0247 118.0021 60.4032 38.2213 177.7127 17 A 4.0245 8.0847 120.5561 55.0627 18.1366 179.6115 18 L 3.8660 8.4938 117.6376 57.9700 41.5926 179.5736 19 A 3.9260 8.1424 120.6260 55.1886 18.0269 179.2791 20 E 3.8842 7.7271 116.9674 59.3186 29.9656 178.9796 21 K 4.1114 7.6666 117.4561 59.2914 32.3427 179.2814 22 L 3.8535 7.8102 118.8355 56.9749 41.1491 179.4201 23 R 3.9243 7.6779 119.5672 59.1556 29.8006 177.6216 24 E 4.1904 8.0923 117.5962 58.0369 29.8177 176.9065 25 Y 4.5227 7.7296 117.0868 56.8233 40.5922 174.9693 26 K 3.6886 7.3663 114.7390 57.3868 29.8142 172.5781 27 P 4.4267 0.0000 0.0000 62.6687 32.4864 176.1898 28 D 4.9049 8.6048 119.2439 54.9239 43.2081 176.7692 29 V 4.7198 7.5786 116.1568 61.3589 35.8595 173.5820 30 I 4.8231 8.4143 124.6666 59.5875 40.8209 174.4644 31 I 4.7935 9.0541 128.7716 59.6372 39.2793 174.8587 32 G 4.2095 8.8007 116.1465 44.7970 0.0000 172.1431 33 V 4.5371 8.4260 126.4587 62.2657 32.6763 175.2971 34 A 4.4555 8.9112 130.6691 52.0895 18.8865 177.5905 35 R 4.2266 8.7235 118.4823 57.0627 31.2338 179.2341 36 G 4.0570 7.6436 105.9350 47.5111 0.0000 174.5243 37 G 3.7599 8.4379 107.7283 46.0553 0.0000 175.6888 38 L 3.8222 7.6315 120.9340 57.9365 41.7259 179.2144 39 I 3.5026 7.1228 118.8617 64.1314 36.9781 176.7406 40 P 4.2690 0.0000 0.0000 65.0417 31.1749 178.6929 41 A 3.8997 8.1472 120.4358 54.9976 18.4374 179.4618 42 V 3.4589 8.1490 117.0971 66.4839 31.5531 178.4230 43 R 3.8902 7.7647 116.8685 59.2952 29.9563 179.1182 44 L 3.9603 8.0996 118.8937 57.6228 41.6628 179.2140 45 S 4.0704 8.5473 113.4960 61.8471 62.2786 175.9045 46 H 4.0184 8.0512 119.9156 59.4468 29.4804 177.1564 47 I 3.8372 7.6641 120.1426 64.3557 37.0418 177.5705 48 L 4.4087 7.7273 116.6611 54.5969 41.6177 177.1766 49 G 4.1382 8.2116 109.0147 45.8369 0.0000 173.6766 50 D 4.3957 7.7166 115.5576 54.7698 38.8965 174.4662 51 I 4.1197 7.6592 111.2219 59.7160 39.0209 174.3456 52 P 4.3235 0.0000 0.0000 63.2775 32.3573 174.3541 53 L 5.1593 8.3795 122.2387 53.4665 44.4412 175.5973 54 K 4.7437 9.2797 125.8001 54.7382 35.2438 175.4029 55 V 4.8619 8.1952 121.0959 61.2589 34.7484 174.5728 56 I 4.8191 8.5468 126.1286 59.3884 41.9174 173.0462 57 D 5.1113 9.1208 128.8539 52.6216 43.5146 174.4003 58 V 4.5929 8.3715 126.4278 61.1577 33.0414 174.9165 59 K 4.6975 8.9193 127.1421 54.5767 35.6723 175.1297 60 F 4.8568 8.7056 119.8166 57.7037 41.7979 172.8694 61 Y 4.6594 8.8635 121.2967 58.2758 39.4366 177.9010 *67 R 4.1042 9.1960 117.6918 57.8540 31.2840 176.5432 68 G 3.8462 8.9033 106.8762 44.7910 0.0000 171.4106 69 E 4.7759 8.2374 118.7389 54.4980 30.9622 174.9602 70 K 4.8174 8.7149 126.4241 53.8778 35.8133 173.4970 71 P 4.0407 0.0000 0.0000 62.7512 32.3267 175.7954 72 V 4.1020 8.5445 122.8418 61.1965 34.8175 174.4053 73 I 4.5354 8.2766 129.2991 60.3324 36.2618 175.5034 74 T 4.0188 8.5329 119.0901 63.8552 69.7045 174.8087 75 I 4.5969 7.5504 122.7930 58.5156 40.4170 173.4500 76 P 4.8245 0.0000 0.0000 61.9507 32.6833 176.1525 77 I 4.0965 8.2346 122.0631 61.7332 37.8285 174.9093 78 H 4.6261 8.9263 125.9233 55.7864 31.3363 175.3732 79 G 3.7651 8.7573 113.1521 44.1823 0.0000 171.4538 80 D 5.0339 8.1534 116.4906 51.6884 42.5701 174.9169 81 L 4.7120 8.0232 117.6588 54.0233 42.5230 176.5322 82 K 4.7985 7.9697 119.9634 57.6189 32.1622 176.9829 83 D 4.6584 8.8975 124.2483 54.4883 39.3518 174.3250 84 K 4.3776 7.8061 119.4449 56.2993 33.7375 176.7571 85 R 4.5731 8.7143 123.0067 55.2545 30.9164 175.8462 86 V 4.6357 8.9569 125.3057 61.6832 34.1073 174.9793 87 V 4.8566 8.2757 124.8222 61.3291 34.5957 174.1758 88 I 4.6905 9.0673 130.1362 60.3064 38.7888 174.9229 89 V 4.9070 8.9276 127.8656 61.2533 33.8232 173.9704 90 D 4.9599 8.7279 126.0117 53.0557 45.2415 175.6305 91 D 4.4082 8.8821 121.7124 55.8483 40.1084 176.2651 92 V 4.9912 7.5545 117.6923 59.3089 34.9701 174.8153 93 S 4.1186 8.7931 118.9228 58.2584 62.3022 173.3882 94 D 4.5004 8.8605 128.6970 55.7633 41.1469 178.4673 95 T 4.0768 8.4136 108.1847 64.5825 70.3917 177.1204 96 G 4.1854 8.4306 108.3347 44.8860 0.0000 175.4482 97 K 4.0766 8.3253 120.2654 60.1509 32.4627 179.4255 98 T 4.2669 7.9165 116.6426 66.6008 68.6739 176.7669 99 L 4.1067 7.9593 120.2732 57.5780 41.7065 179.3786 100 E 3.9874 8.2514 118.9561 59.3701 29.4594 179.3621 101 V 3.7762 7.5046 117.0139 66.0920 31.5701 178.2836 102 V 3.6264 7.7348 117.5219 65.9770 31.4729 178.1316 103 I 3.7748 7.9139 119.7230 64.2263 36.9013 178.3243 104 E 3.9866 8.0910 119.0952 59.5054 29.1135 179.2180 105 E 3.9919 8.0463 117.4668 59.3716 29.6371 179.3221 106 V 3.7577 7.9820 118.4055 65.7683 31.5668 178.3388 107 K 4.0295 8.0455 118.1205 59.2217 31.6919 179.3980 108 K 4.2269 8.0245 117.8231 58.6336 32.0079 177.6244 109 L 4.4195 7.5452 118.3830 53.8715 41.9665 176.6899 110 G 3.8009 8.6061 107.1590 46.4372 0.0000 174.2270 111 A 4.5585 7.9628 121.6389 51.6027 18.5748 177.7817 112 K 4.1671 7.8513 125.0482 57.3361 31.8780 176.0903 113 E 4.9148 8.0300 118.4648 54.7915 32.6907 174.5607 114 I 5.2192 8.2765 122.2966 59.6333 41.2484 174.6466 115 K 4.7052 8.8271 125.3699 54.8121 36.2770 174.6996 116 I 5.0429 9.2096 126.6467 59.4978 40.1792 174.1769 117 A 5.3628 9.2017 129.5744 50.4521 21.3550 174.9721 118 C 5.9124 9.2859 119.5003 57.0980 32.7841 175.5223 119 L 4.1461 8.9124 120.4779 57.6418 42.3581 176.7764 120 A 5.5554 8.7429 119.3327 50.6238 23.2296 174.2263 121 M 4.9606 8.7009 117.4514 54.3513 36.3207 173.5365 122 K 4.5687 8.3911 125.1576 53.3961 33.4672 176.0270 123 P 4.0283 0.0000 0.0000 64.9096 31.3675 176.9092 124 W 4.7488 6.9758 112.5780 56.1283 28.4767 176.2372 125 T 4.5602 7.9188 113.6168 62.1377 67.1399 174.2785 126 S 4.5182 8.9822 120.9606 58.8328 63.7078 174.9280 127 V 4.2112 7.2363 120.4874 60.4423 31.2159 173.0702 128 V 3.6533 7.9598 122.9467 61.3364 31.9996 174.3103 129 P 4.4984 0.0000 0.0000 62.8764 31.8281 176.2167 130 D 4.3810 8.6952 121.0101 56.9247 41.6291 176.7276 131 Y 4.9027 7.7338 115.9425 56.6434 42.2711 173.7985 132 Y 5.8394 8.0967 120.3682 57.2870 40.7265 173.5237 133 V 4.0396 8.9176 117.8127 64.4482 33.3457 175.6608 134 F 4.9560 7.5982 119.0056 56.7739 40.6733 174.3269 135 R 5.1818 8.2558 122.1105 54.0032 32.5562 173.9410 136 T 4.1588 7.9553 117.9682 62.1402 70.3129 172.9907 137 E 3.8439 8.7343 123.6169 56.2131 30.6436 176.9165 138 K 4.2372 7.3938 117.8890 55.2968 32.8464 176.3828 139 W 4.2119 8.7289 130.8945 58.0401 31.6061 174.5677 140 I 4.1872 8.4404 128.7179 59.7493 38.0853 175.2173 141 V 4.1877 7.9273 128.2706 61.2505 33.0223 174.8886 142 F 3.9574 9.0785 127.2822 55.5030 40.1124 175.2683 143 P 3.6231 0.0000 0.0000 65.3245 30.8913 177.8800 144 W 4.5336 6.5468 112.2750 58.1387 28.6347 176.1238 145 E 4.5336 7.8791 119.1947 55.3346 30.0240 175.5712 146 E 4.3819 8.5621 121.8570 55.3795 30.5463 176.4805 147 F 4.3302 8.9796 124.7189 57.1236 39.4380 173.4916 148 P 4.4440 0.0000 0.0000 62.1953 31.9054 175.7101 149 V 4.2711 8.1586 121.7434 60.9921 33.1012 174.9780 150 I 4.0607 8.2878 128.3629 60.7133 37.5092 175.0667 151 E 4.6948 8.5179 124.1561 54.3331 32.4652 176.2317 152 K 4.1811 8.4009 117.9482 56.8685 32.3001 177.1335 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 4.49 0.00 2.03 2.32 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 2 D 8.74 4.29 0.00 2.66 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 3 K 7.82 4.65 0.00 0.83 0.82 0.00 1.19 0.00 0.00 0.67 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.88 7.81 4 V 8.02 4.12 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 0.78 0.00 0.00 0.78 0.00 0.00 5 Y 8.34 4.40 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.82 4.20 0.00 1.03 1.31 0.25 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.85 4.38 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 1.35 0.00 0.00 8 W 9.02 4.44 0.00 3.57 3.41 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 9 W 8.59 4.30 0.00 3.57 3.40 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 10 Q 8.31 3.68 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.67 2.81 0.00 11 V 8.05 3.87 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 1.52 0.00 0.00 1.01 0.00 0.00 12 D 8.62 4.35 0.00 2.92 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 13 R 7.82 4.07 0.00 1.34 1.71 0.00 3.33 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.50 0.00 14 A 7.75 3.80 1.28 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 15 I 8.05 3.68 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.86 0.76 0.00 0.00 16 F 8.02 4.44 0.00 3.30 2.94 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 0.00 0.00 0.00 17 A 8.08 4.02 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 18 L 8.49 3.87 0.00 1.78 1.66 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.14 3.93 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 E 7.73 3.88 0.00 1.93 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 2.31 2.38 0.00 21 K 7.67 4.11 0.00 1.66 1.76 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.65 7.81 22 L 7.81 3.85 0.00 1.69 1.65 0.83 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.68 3.92 0.00 2.06 2.02 0.00 3.14 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 24 E 8.09 4.19 0.00 2.06 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 0.00 2.36 2.49 0.00 25 Y 7.73 4.52 0.00 3.07 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 26 K 7.37 3.69 0.00 1.74 1.65 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.39 7.81 27 P 0.00 4.43 0.00 2.06 2.08 0.00 3.61 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 2.11 2.40 0.00 28 D 8.60 4.90 0.00 2.49 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.58 4.72 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 0.98 0.00 0.00 0.93 0.00 0.00 30 I 8.41 4.82 1.87 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 1.25 0.50 0.91 0.00 0.00 31 I 9.05 4.79 1.88 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 1.17 0.65 0.91 0.00 0.00 32 G 8.80 4.21 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 0.00 0.00 0.00 33 V 8.43 4.54 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 0.82 0.00 0.00 0.97 0.00 0.00 34 A 8.91 4.46 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 35 R 8.72 4.23 0.00 1.92 1.94 0.00 3.19 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 36 G 7.64 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 37 G 8.44 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 38 L 7.63 3.82 0.00 1.61 1.60 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.12 3.50 0.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.58 0.96 0.00 0.00 40 P 0.00 4.27 0.00 2.10 2.11 0.00 3.37 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 41 A 8.15 3.90 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 42 V 8.15 3.46 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 0.98 0.00 0.00 0.91 0.00 0.00 43 R 7.76 3.89 0.00 1.85 1.83 0.00 3.14 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 44 L 8.10 3.96 0.00 1.85 1.70 0.90 0.84 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 45 S 8.55 4.07 0.00 3.88 4.13 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 46 H 8.05 4.02 0.00 3.27 3.38 0.00 5.65 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 47 I 7.66 3.84 1.90 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 1.65 0.82 1.03 0.00 0.00 48 L 7.73 4.41 0.00 1.69 1.69 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.21 4.14 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 0.00 0.00 0.00 50 D 7.72 4.40 0.00 2.78 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 51 I 7.66 4.12 1.85 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 1.39 0.52 0.89 0.00 0.00 52 P 0.00 4.32 0.00 2.13 2.26 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.96 0.00 53 L 8.38 5.16 0.00 1.59 1.54 0.97 0.54 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 54 K 9.28 4.74 0.00 1.65 1.68 0.00 1.84 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.50 7.81 55 V 8.20 4.86 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 0.76 0.00 0.00 0.90 0.00 0.00 56 I 8.55 4.82 1.86 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 1.08 1.57 0.90 0.00 0.00 57 D 9.12 5.11 0.00 2.74 2.54 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 58 V 8.37 4.59 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 0.46 0.00 0.00 0.84 0.00 0.00 59 K 8.92 4.70 0.00 1.50 1.27 0.00 1.57 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 1.57 7.81 60 F 8.71 4.86 0.00 2.88 2.94 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 0.00 0.00 0.00 61 Y 8.86 4.66 0.00 2.84 2.54 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 *67 R 9.20 4.10 0.00 1.95 1.99 0.00 3.18 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 68 G 8.90 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 0.00 0.00 0.00 69 E 8.24 4.78 0.00 1.96 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 2.40 2.38 0.00 70 K 8.71 4.82 0.00 1.88 1.60 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.37 7.81 71 P 0.00 4.04 0.00 1.80 1.73 0.00 3.80 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 1.92 1.99 0.00 72 V 8.54 4.10 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 0.74 0.00 0.00 0.63 0.00 0.00 73 I 8.28 4.54 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.55 0.87 0.00 0.00 74 T 8.53 4.02 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 75 I 7.55 4.60 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.67 0.90 0.00 0.00 76 P 0.00 4.82 0.00 2.07 2.02 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 77 I 8.23 4.10 1.87 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 1.22 0.53 0.91 0.00 0.00 78 H 8.93 4.63 0.00 3.08 3.19 0.00 5.71 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 79 G 8.76 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 0.00 0.00 0.00 80 D 8.15 5.03 0.00 2.73 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 81 L 8.02 4.71 0.00 1.64 1.65 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.97 4.80 0.00 2.08 1.74 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.53 7.81 83 D 8.90 4.66 0.00 2.88 2.83 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 84 K 7.81 4.38 0.00 1.82 1.72 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.64 1.56 7.81 85 R 8.71 4.57 0.00 1.54 1.53 0.00 2.93 0.00 0.00 2.88 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 86 V 8.96 4.64 2.15 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 0.96 0.00 0.00 0.96 0.00 0.00 87 V 8.28 4.86 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 1.00 0.00 0.00 1.22 0.00 0.00 88 I 9.07 4.69 1.89 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 1.13 0.57 0.92 0.00 0.00 89 V 8.93 4.91 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 0.97 0.00 0.00 0.93 0.00 0.00 90 D 8.73 4.96 0.00 2.83 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.88 4.41 0.00 1.58 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 92 V 7.55 4.99 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 0.89 0.00 0.00 1.01 0.00 0.00 93 S 8.79 4.12 0.00 3.93 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.86 4.50 0.00 2.80 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 95 T 8.41 4.08 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 96 G 8.43 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 0.00 0.00 0.00 97 K 8.33 4.08 0.00 2.02 2.03 0.00 0.62 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.22 1.19 7.81 98 T 7.92 4.27 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 99 L 7.96 4.11 0.00 1.85 1.74 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.25 3.99 0.00 2.17 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 2.35 2.33 0.00 101 V 7.50 3.78 2.21 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 0.92 0.00 0.00 1.04 0.00 0.00 102 V 7.73 3.63 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 0.98 0.00 0.00 1.00 0.00 0.00 103 I 7.91 3.77 2.01 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 1.53 1.24 0.92 0.00 0.00 104 E 8.09 3.99 0.00 2.22 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 2.33 2.53 0.00 105 E 8.05 3.99 0.00 2.09 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 2.54 2.42 0.00 106 V 7.98 3.76 2.23 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 1.05 0.00 0.00 0.98 0.00 0.00 107 K 8.05 4.03 0.00 2.05 1.84 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.56 7.81 108 K 8.02 4.23 0.00 1.92 1.88 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.71 7.81 109 L 7.55 4.42 0.00 1.77 1.72 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.61 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.96 4.56 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 0.00 112 K 7.85 4.17 0.00 1.72 1.88 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.43 7.81 113 E 8.03 4.91 0.00 2.10 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 2.48 2.50 0.00 114 I 8.28 5.22 1.90 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 1.27 0.64 0.93 0.00 0.00 115 K 8.83 4.71 0.00 1.33 1.39 0.00 1.04 0.00 0.00 0.61 0.00 0.00 2.69 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.09 1.36 7.81 116 I 9.21 5.04 1.88 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 1.18 0.69 0.94 0.00 0.00 117 A 9.20 5.36 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 0.00 118 C 9.29 5.91 0.00 2.89 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 0.00 119 L 8.91 4.15 0.00 2.16 2.13 1.33 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.74 5.56 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 0.00 0.00 0.00 0.00 0.00 121 M 8.70 4.96 0.00 0.94 1.40 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.31 0.00 122 K 8.39 4.57 0.00 1.25 0.74 0.00 2.13 0.00 0.00 1.35 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.08 7.81 123 P 0.00 4.03 0.00 1.84 2.04 0.00 2.87 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.90 0.00 124 W 6.98 4.75 0.00 3.28 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 0.00 125 T 7.92 4.56 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 1.17 0.00 0.00 126 S 8.98 4.52 0.00 3.98 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 V 7.24 4.21 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 0.79 0.00 0.00 0.98 0.00 0.00 128 V 7.96 3.65 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 0.92 0.00 0.00 0.92 0.00 0.00 129 P 0.00 4.50 0.00 2.35 2.08 0.00 3.62 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 1.98 2.11 0.00 130 D 8.70 4.38 0.00 2.36 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 0.00 0.00 0.00 131 Y 7.73 4.90 0.00 2.87 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 0.00 132 Y 8.10 5.84 0.00 2.89 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 0.00 133 V 8.92 4.04 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 0.23 0.00 0.00 0.73 0.00 0.00 134 F 7.60 4.96 0.00 3.19 2.89 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 0.00 0.00 0.00 135 R 8.26 5.18 0.00 1.95 1.84 0.00 3.18 0.00 0.00 4.01 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.30 0.00 136 T 7.96 4.16 4.18 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 0.00 0.00 0.00 1.09 0.00 0.00 137 E 8.73 3.84 0.00 1.93 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 0.00 1.60 2.07 0.00 138 K 7.39 4.24 0.00 1.71 1.72 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.36 7.81 139 W 8.73 4.21 0.00 3.44 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.44 4.19 1.62 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.79 -0.14 0.00 0.00 141 V 7.93 4.19 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 0.00 0.00 0.67 0.00 0.00 0.21 0.00 0.00 142 F 9.08 3.96 0.00 2.14 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 0.00 143 P 0.00 3.62 0.00 0.49 0.49 0.00 2.61 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 144 W 6.55 4.53 0.00 3.54 3.61 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 0.00 145 E 7.88 4.53 0.00 2.00 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 2.53 2.18 0.00 146 E 8.56 4.38 0.00 2.04 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 2.37 2.41 0.00 147 F 8.98 4.33 0.00 2.98 3.02 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 0.00 0.00 0.00 148 P 0.00 4.44 0.00 1.76 1.94 0.00 3.41 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.06 0.00 149 V 8.16 4.27 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 0.84 0.00 0.00 0.97 0.00 0.00 150 I 8.29 4.06 1.85 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 1.37 0.50 0.91 0.00 0.00 151 E 8.52 4.69 0.00 1.94 1.87 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 2.22 2.30 0.00 152 K 8.40 4.18 0.00 1.74 1.71 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.