NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.8975 8.4293 116.2109 55.2538 30.4687 173.5914 2 C 3.9785 7.6450 114.1086 57.4694 30.1577 171.9859 3 D 4.5720 8.3295 118.7153 55.2268 39.9360 175.7784 4 L 4.0629 8.1574 120.7207 56.7716 42.2855 175.5532 5 P 4.5872 0.0000 0.0000 62.1901 32.4326 175.2122 6 C 4.3487 8.3798 112.5516 57.5196 30.7191 174.8915 7 G 3.8702 8.2272 107.7243 45.6927 0.0000 173.0270 8 V 4.2642 7.2125 118.7124 60.9417 32.6746 174.3880 9 Y 4.7448 8.0609 123.7185 56.5419 42.0352 174.6858 10 D 3.6901 7.8368 118.1622 51.6757 44.0491 174.6667 11 P 4.0823 0.0000 0.0000 64.2566 31.1486 178.1349 12 A 3.9735 8.3252 121.0181 55.0809 18.3395 179.3993 13 Q 3.7768 7.8306 116.2705 59.2565 28.7746 179.3556 14 A 4.1639 7.7463 121.0048 54.9969 18.4813 179.4734 15 R 3.8343 8.0824 117.2870 59.7024 30.2582 178.8294 16 I 4.0063 7.8573 121.0416 63.9397 36.9217 178.3436 17 E 4.0045 7.9194 117.9356 59.3304 29.1840 179.2264 18 A 4.0847 8.2799 120.6586 54.7494 18.0260 179.6079 19 E 3.9542 8.2923 117.7975 59.6420 29.5535 179.5023 20 S 4.1400 7.9676 114.7999 61.3932 62.8738 176.7184 21 V 3.5432 7.5320 121.0571 66.1121 31.2311 178.1033 22 K 4.1522 7.8880 118.9476 59.3678 32.0300 178.5316 23 A 4.0134 8.1993 121.1974 55.3002 18.2349 179.7375 24 I 3.7066 8.3127 118.6002 64.6662 37.0159 178.6324 25 Q 4.0116 8.1873 118.8696 59.0075 28.3616 178.9590 26 E 4.0202 8.4213 119.6195 59.4707 29.4626 179.6091 27 K 4.1091 8.3390 118.3794 59.5936 31.5898 179.3670 28 M 4.4110 8.4086 119.2100 58.1762 31.6278 178.3336 29 A 4.1935 7.8338 119.8083 53.9616 18.7165 178.4077 30 A 4.5987 7.5042 117.1504 51.3783 19.3960 176.6804 31 N 4.6387 7.5679 115.3493 52.1438 41.0189 173.6058 32 D 4.6976 8.6763 124.7294 53.3953 40.5233 176.7410 33 D 4.4128 8.4960 121.1373 54.5017 42.5366 175.9070 34 L 3.9313 8.6879 128.5727 59.0612 42.1533 179.0210 35 H 4.1169 8.2621 115.2848 58.7431 28.5812 177.5168 36 F 4.1971 8.9032 122.7553 61.3566 39.2485 177.2554 37 Q 3.8635 8.3458 117.7404 58.8375 28.4687 178.8281 38 I 3.6366 7.8803 120.8498 64.5147 37.1213 178.6921 39 R 3.8310 7.9721 118.5392 59.1736 29.7973 179.0379 40 A 3.7277 7.8670 120.8649 55.3277 18.3082 179.8590 41 T 3.7442 7.8584 114.2536 66.5975 68.3749 177.1018 42 V 3.5464 7.8083 120.1385 66.2414 31.6252 178.2580 43 I 4.0360 7.9061 121.0545 63.4757 36.8989 178.3729 44 K 3.9424 8.3935 121.1714 59.2348 32.1217 178.3977 45 E 3.9082 8.2031 119.6852 59.4325 29.1409 178.9757 46 Q 3.9681 7.8096 118.0160 59.1253 28.8247 178.9066 47 R 3.9298 8.1015 118.8473 59.2036 29.9794 179.0607 48 A 4.0236 8.2040 120.6945 55.0240 18.3882 179.3111 49 E 3.8583 8.1326 117.6092 59.3222 29.6086 179.1212 50 L 3.9629 8.0040 119.0481 57.4700 41.6776 179.2005 51 A 4.0379 8.0466 120.8228 55.1316 18.2666 179.7840 52 K 3.8853 8.2954 117.2259 59.8102 32.1331 178.9524 53 H 4.1013 8.1891 118.4050 59.7332 29.8843 177.0509 54 H 4.2869 8.3310 118.0065 58.8664 28.4147 177.8850 55 L 4.0899 8.0502 120.9000 57.7768 41.3729 179.1321 56 D 4.5258 8.3973 119.1373 57.5235 40.7324 179.0544 57 V 3.7037 7.9437 118.6167 65.9537 31.4456 178.1247 58 L 3.8670 7.9865 118.4817 57.4971 41.2805 179.1906 59 W 4.6912 8.6356 127.6371 60.5947 30.7750 177.4969 60 S 4.0862 8.6612 112.7573 59.9217 63.1259 175.1576 61 D 4.6945 8.2879 121.1846 55.8381 41.8138 177.3084 62 Y 3.3864 7.4173 118.6956 59.9119 39.1212 175.4319 63 F 3.9760 7.7650 118.1650 57.3817 39.5747 175.2921 64 K 4.5942 8.4518 123.8192 53.8056 34.6728 175.2437 65 P 4.4683 0.0000 0.0000 65.9080 31.0717 177.0697 66 P 4.2307 0.0000 0.0000 65.8695 31.1541 178.2855 67 H 4.3038 7.8897 115.0191 59.0027 28.3892 177.8979 68 F 4.2996 7.7763 117.6821 60.0578 38.8182 176.9326 69 E 4.2733 7.7063 117.9336 59.0622 29.5818 178.7521 70 S 4.3043 8.4172 114.8254 59.8479 63.9533 173.9409 71 Y 4.6197 8.1481 119.9698 54.5805 37.9591 173.9087 72 P 4.4090 0.0000 0.0000 64.9686 31.9280 177.3246 73 E 4.3472 8.1804 114.3943 56.9245 30.6887 177.8266 74 L 3.8824 8.3565 122.8347 58.8242 42.0403 178.2372 75 H 4.4356 8.5086 115.2942 59.6264 28.6644 177.7069 76 T 3.8706 8.0103 116.7150 66.3739 68.2952 176.3131 77 L 4.0123 8.1589 122.5217 58.2060 42.1974 179.2372 78 V 3.5362 7.9563 118.2765 65.9912 31.4859 177.3569 79 N 4.0240 8.0108 116.7270 56.7884 38.7320 176.6956 80 E 3.7145 8.2232 119.8474 58.8893 29.4840 179.2346 81 A 3.7072 7.4319 120.8708 55.2356 18.4865 180.1898 82 V 3.5626 7.7091 110.9554 64.4237 31.5822 179.0613 83 K 3.9755 7.9732 118.0917 59.1516 31.9471 179.2928 84 A 4.0838 7.9575 121.2839 54.9525 18.2445 179.6785 85 L 4.0322 7.7834 117.5320 57.9532 41.4960 179.7876 86 S 4.1484 8.0785 115.0774 61.3606 62.4812 176.4854 87 A 4.0142 7.7564 122.5894 54.7205 18.5167 179.2021 88 A 4.1857 7.7534 120.6045 54.2988 18.2049 179.8977 89 K 3.8785 7.8440 116.2735 59.6236 32.2867 178.6292 90 A 4.3897 7.3311 117.0074 51.5834 18.5857 176.6973 91 S 4.6730 7.2884 112.1147 57.3132 65.6222 173.8721 92 T 4.3743 8.3062 112.8258 61.2154 69.6170 173.7638 93 D 4.4998 8.3680 124.4113 53.3306 41.3815 174.9547 94 P 4.4930 0.0000 0.0000 65.4340 31.1920 178.3676 95 A 4.0168 8.7264 120.6969 55.3091 17.8988 179.6390 96 T 3.9982 8.0513 108.5316 64.9418 68.8176 176.9027 97 G 3.7265 8.0537 109.3800 46.9651 0.0000 175.3258 98 Q 3.9573 8.1400 122.0743 58.7423 29.2491 177.9833 99 K 3.7431 8.4989 120.8962 59.6713 32.2297 178.4707 100 A 4.2482 7.9966 120.4367 55.2745 18.3055 179.6303 101 L 4.0158 7.8217 117.0835 57.9728 41.7497 179.4814 102 D 4.3266 8.4141 119.2379 57.5296 40.7467 178.3536 103 Y 4.2223 7.7912 116.8761 61.2702 37.8472 178.8139 104 I 3.8084 7.9759 120.3911 64.0547 37.0933 178.4064 105 A 4.0030 7.9265 121.7028 55.3729 18.4264 179.5405 106 Q 3.9968 7.9929 116.3048 59.4369 28.7684 179.4995 107 I 3.7969 7.9740 120.6766 64.3391 37.1999 178.0244 108 D 4.2763 8.5943 119.4919 56.8568 41.0147 178.3271 109 K 4.1142 8.3486 120.4180 59.7403 32.3549 178.8718 110 I 3.4972 7.5968 119.6694 64.1365 36.8525 178.1072 111 F 4.0968 8.3859 121.5319 61.2971 39.1310 177.3613 112 W 4.3575 8.0685 118.2245 59.6526 28.8008 178.4466 113 E 4.1243 8.4904 119.0519 59.6952 28.7344 179.5007 114 T 4.0913 7.8763 108.5165 64.2811 68.8631 176.7680 115 K 4.0713 7.4297 120.9830 59.2228 32.3476 178.9064 116 K 4.0997 8.4350 118.2074 59.9665 32.4426 176.5382 117 A 4.1820 7.9246 126.3637 52.2134 18.2806 176.8074 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 H 8.43 4.90 0.00 3.33 3.45 0.00 5.49 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.64 3.98 0.00 3.10 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 3 D 8.33 4.57 0.00 2.94 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 4 L 8.16 4.06 0.00 1.60 1.73 0.92 0.98 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 5 P 0.00 4.59 0.00 2.30 2.12 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 6 C 8.38 4.35 0.00 3.00 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 7 G 8.23 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 8 V 7.21 4.26 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 0.86 0.00 0.00 0.90 0.00 0.00 9 Y 8.06 4.74 0.00 2.81 2.42 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 10 D 7.84 3.69 0.00 2.54 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 11 P 0.00 4.08 0.00 2.10 1.79 0.00 2.74 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.92 0.00 12 A 8.33 3.97 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 13 Q 7.83 3.78 0.00 1.82 1.58 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 2.20 2.33 0.00 14 A 7.75 4.16 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 15 R 8.08 3.83 0.00 1.89 2.06 0.00 3.13 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 16 I 7.86 4.01 1.86 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 1.53 1.66 0.91 0.00 0.00 17 E 7.92 4.00 0.00 2.24 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 2.59 2.56 0.00 18 A 8.28 4.08 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 19 E 8.29 3.95 0.00 2.22 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 2.34 2.68 0.00 20 S 7.97 4.14 0.00 4.04 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.53 3.54 2.30 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 1.00 0.00 0.00 0.96 0.00 0.00 22 K 7.89 4.15 0.00 1.82 1.80 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.21 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.64 7.81 23 A 8.20 4.01 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 24 I 8.31 3.71 2.01 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 1.52 0.72 0.88 0.00 0.00 25 Q 8.19 4.01 0.00 2.29 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 26 E 8.42 4.02 0.00 2.23 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 2.34 2.54 0.00 27 K 8.34 4.11 0.00 2.15 2.16 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.77 7.81 28 M 8.41 4.41 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.46 0.00 29 A 7.83 4.19 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 30 A 7.50 4.60 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 31 N 7.57 4.64 0.00 2.24 2.34 0.00 0.00 7.11 8.35 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 32 D 8.68 4.70 0.00 2.83 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 33 D 8.50 4.41 0.00 2.84 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 34 L 8.69 3.93 0.00 1.78 1.63 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.26 4.12 0.00 3.46 3.40 0.00 5.87 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 36 F 8.90 4.20 0.00 3.15 3.27 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 0.00 37 Q 8.35 3.86 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.71 2.59 0.00 38 I 7.88 3.64 1.99 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 1.48 0.77 0.88 0.00 0.00 39 R 7.97 3.83 0.00 1.83 1.89 0.00 3.16 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 40 A 7.87 3.73 0.83 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 0.00 0.00 41 T 7.86 3.74 4.31 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 1.18 0.00 0.00 42 V 7.81 3.55 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 0.95 0.00 0.00 43 I 7.91 4.04 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.57 0.89 0.00 0.00 44 K 8.39 3.94 0.00 1.79 1.97 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.43 7.81 45 E 8.20 3.91 0.00 2.30 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 0.00 2.29 2.39 0.00 46 Q 7.81 3.97 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 47 R 8.10 3.93 0.00 1.83 2.12 0.00 3.31 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.79 0.00 48 A 8.20 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 49 E 8.13 3.86 0.00 2.22 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 2.29 2.37 0.00 50 L 8.00 3.96 0.00 1.92 1.67 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.05 4.04 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 52 K 8.30 3.89 0.00 1.97 1.85 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.63 7.81 53 H 8.19 4.10 0.00 3.30 3.43 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.33 4.29 0.00 3.36 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.05 4.09 0.00 1.86 1.76 0.93 1.14 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 56 D 8.40 4.53 0.00 2.90 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 57 V 7.94 3.70 2.30 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 1.32 0.00 0.00 0.93 0.00 0.00 58 L 7.99 3.87 0.00 2.09 1.68 0.67 0.25 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 59 W 8.64 4.69 0.00 3.48 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 60 S 8.66 4.09 0.00 4.02 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 0.00 61 D 8.29 4.69 0.00 2.97 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.42 3.39 0.00 1.43 2.42 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 63 F 7.77 3.98 0.00 2.99 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 0.00 0.00 0.00 0.00 64 K 8.45 4.59 0.00 1.53 1.60 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.23 7.81 65 P 0.00 4.47 0.00 2.16 2.17 0.00 3.58 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 2.12 2.24 0.00 66 P 0.00 4.23 0.00 1.96 2.02 0.00 3.46 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 67 H 7.89 4.30 0.00 2.88 3.13 0.00 5.64 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 68 F 7.78 4.30 0.00 3.17 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 69 E 7.71 4.27 0.00 2.07 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 2.57 2.51 0.00 70 S 8.42 4.30 0.00 3.75 3.44 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 71 Y 8.15 4.62 0.00 2.93 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.41 0.00 2.08 2.18 0.00 3.70 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 2.04 2.24 0.00 73 E 8.18 4.35 0.00 2.17 2.26 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 2.39 2.30 0.00 74 L 8.36 3.88 0.00 1.83 1.85 0.42 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.51 4.44 0.00 3.31 3.38 0.00 5.68 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 76 T 8.01 3.87 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 77 L 8.16 4.01 0.00 1.87 1.90 1.12 1.14 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 78 V 7.96 3.54 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 0.94 0.00 0.00 1.18 0.00 0.00 79 N 8.01 4.02 0.00 2.74 2.77 0.00 0.00 7.27 6.93 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 80 E 8.22 3.71 0.00 1.55 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 2.19 2.38 0.00 81 A 7.43 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 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.71 3.56 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 0.76 0.00 0.00 0.82 0.00 0.00 83 K 7.97 3.98 0.00 1.89 1.78 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.43 7.81 84 A 7.96 4.08 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.78 4.03 0.00 1.91 1.72 0.92 0.81 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 86 S 8.08 4.15 0.00 4.04 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 87 A 7.76 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 88 A 7.75 4.19 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 89 K 7.84 3.88 0.00 1.96 2.00 0.00 1.69 0.00 0.00 1.96 0.00 0.00 3.22 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.64 7.81 90 A 7.33 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.29 4.67 0.00 3.82 3.81 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 92 T 8.31 4.37 4.25 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 1.21 0.00 0.00 93 D 8.37 4.50 0.00 2.69 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 94 P 0.00 4.49 0.00 2.20 2.12 0.00 3.66 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 95 A 8.73 4.02 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 96 T 8.05 4.00 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 1.22 0.00 0.00 97 G 8.05 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 98 Q 8.14 3.96 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 99 K 8.50 3.74 0.00 1.82 1.99 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.37 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.36 7.81 100 A 8.00 4.25 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 0.00 101 L 7.82 4.02 0.00 1.99 1.74 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.41 4.33 0.00 2.58 2.55 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 0.00 103 Y 7.79 4.22 0.00 3.25 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 0.00 104 I 7.98 3.81 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.89 0.92 0.00 0.00 105 A 7.93 4.00 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 0.00 106 Q 7.99 4.00 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.70 0.00 107 I 7.97 3.80 2.06 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 1.45 0.88 1.05 0.00 0.00 108 D 8.59 4.28 0.00 2.84 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 0.00 109 K 8.35 4.11 0.00 1.96 2.01 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.65 1.58 7.81 110 I 7.60 3.50 1.80 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.76 -0.14 0.00 0.00 111 F 8.39 4.10 0.00 3.04 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 0.00 112 W 8.07 4.36 0.00 3.69 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 0.00 113 E 8.49 4.12 0.00 2.28 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 0.00 2.45 2.57 0.00 114 T 7.88 4.09 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 1.39 0.00 0.00 115 K 7.43 4.07 0.00 1.90 2.08 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.64 1.10 7.81 116 K 8.44 4.10 0.00 1.92 2.04 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.77 1.53 7.81 117 A 7.92 4.18 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