NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.0199 8.0249 120.7564 61.0180 40.0192 175.5679 3 Y 4.8339 7.8104 122.8191 55.8060 38.5349 173.1455 *5 P 4.1349 0.0000 0.0000 63.6838 34.3442 174.5697 6 I 4.4178 8.2897 120.4905 60.2941 38.7634 175.4568 7 V 4.9620 8.5599 127.3056 61.4295 33.7722 174.8439 8 V 4.9981 8.8694 126.4205 59.9438 34.2421 174.0560 9 A 5.0996 8.6507 127.7115 50.6971 19.9253 176.6683 10 V 4.3402 8.4826 115.7719 59.9561 34.6341 175.2353 11 D 4.5941 9.1272 124.1311 55.4680 41.8037 176.6326 12 K 4.5767 7.3357 115.6856 54.5485 36.0654 175.4421 13 K 3.0155 8.0906 118.7631 55.8630 32.0138 177.3672 14 S 4.5276 8.0198 117.5165 56.0593 66.7848 174.8890 15 D 4.6447 8.7214 122.0560 57.8524 40.5454 179.2739 16 R 3.9270 8.0496 118.1939 59.4455 30.1855 178.2445 17 A 4.1586 8.1816 120.4904 55.0651 18.3210 179.2461 18 E 3.9183 8.6924 117.2963 59.9449 29.6150 179.9592 19 R 4.0090 7.8145 117.9298 59.1518 30.1210 179.2404 20 V 3.6555 7.9859 118.1042 66.0641 31.5181 178.1450 21 L 4.0776 7.9654 118.6566 57.7029 41.5443 179.4684 22 R 3.9409 8.4070 118.5202 59.2946 29.9968 178.9285 23 F 3.9629 8.5203 120.1972 61.1189 39.4070 177.0839 24 A 4.1018 8.4443 120.3613 55.1544 18.1407 179.4967 25 A 3.9375 8.5190 119.7890 54.9986 18.3314 179.4431 26 E 3.7220 8.0213 117.8518 59.5418 29.7937 178.7536 27 E 3.7909 7.8954 118.2852 59.4597 29.4309 179.4213 28 A 3.9277 7.9787 120.5402 55.1259 18.2355 179.8912 29 R 3.8057 8.0642 115.8355 59.4313 30.2394 178.8237 30 L 4.0553 7.7735 117.5547 57.8719 41.7119 179.3743 31 R 4.1439 7.8201 116.0365 55.8405 30.6515 176.4828 32 G 3.7349 8.2028 106.3880 46.7470 0.0000 173.3998 33 V 4.6721 7.3344 109.9228 58.3672 36.1862 174.3219 34 P 4.8268 0.0000 0.0000 62.6194 33.5654 174.6832 35 V 4.7524 8.9758 120.7064 61.5743 33.7401 173.8673 36 Y 5.3629 9.0432 126.4417 56.7747 39.7961 174.7611 37 V 4.6335 8.8283 125.7260 61.9667 33.2577 175.2278 38 V 5.2271 9.0314 120.6684 59.0310 35.6293 174.1445 39 H 5.1100 8.4357 121.4894 54.7845 33.5152 171.6070 40 S 5.2324 8.4266 119.5332 56.5956 65.1401 172.4899 41 L 5.0009 8.8938 126.0202 52.3367 45.6594 175.8512 42 P 4.1335 0.0000 0.0000 64.6817 32.4037 178.0204 43 G 4.0102 8.7177 106.9021 44.8150 0.0000 173.5106 44 G 3.9680 7.7689 109.3186 43.9410 0.0000 174.7394 45 G 3.8124 8.5952 107.3262 47.0144 0.0000 174.6542 46 R 4.0796 7.8347 116.8441 58.5249 30.1448 177.1477 47 T 3.9251 7.7718 115.9609 63.0308 68.6339 174.0564 48 K 4.4010 9.0413 127.1055 55.6586 34.1466 177.8805 49 D 4.3944 8.5631 120.3443 56.7795 39.1132 178.5966 50 E 4.0430 8.1385 119.4435 58.8386 29.5115 178.6588 51 D 4.3321 7.8721 118.9574 57.5700 40.9460 178.9302 52 I 3.7236 7.6599 119.6190 64.2553 37.1025 178.3263 53 I 3.6417 7.7098 120.6615 64.4112 36.9326 177.6973 54 E 3.8244 8.3039 119.9139 59.7075 29.3713 179.0281 55 A 3.8024 7.8324 120.2965 54.7700 18.3601 179.5767 56 K 3.9183 8.0955 118.4551 59.6520 32.2859 179.0191 57 E 4.0188 8.4197 119.1013 59.5298 29.2890 179.2904 58 T 3.9160 8.1072 115.9948 66.8234 68.4855 176.5559 59 L 4.0847 8.0677 120.6993 57.7600 41.6180 179.6210 60 S 4.3859 8.2360 114.3590 60.6654 62.4809 175.6716 61 W 4.2786 8.7782 131.3038 60.7390 30.4550 177.7208 62 A 3.5148 8.7103 120.8104 55.1179 17.8506 179.8277 63 V 3.5847 8.1701 117.2551 65.9388 31.5426 178.3929 64 S 4.0897 7.9741 114.3098 61.2685 62.7450 176.7115 65 I 3.4806 7.2018 123.2293 64.0686 36.9342 178.2484 66 I 3.6257 7.4243 120.3893 64.6228 36.9627 178.7471 67 R 4.3036 8.0085 120.0557 58.6482 29.6668 179.0648 68 K 3.9675 7.8719 118.3845 58.9699 32.1756 177.6502 69 E 4.4290 7.7560 116.7274 55.8458 29.5062 176.8512 70 G 3.7999 8.1033 106.8607 45.4308 0.0000 173.0705 71 A 4.8330 7.7063 120.1326 49.5714 22.9778 175.5163 72 E 4.4580 8.6563 120.0896 55.1976 31.1485 175.2460 73 G 4.5949 8.7266 113.1357 44.3829 0.0000 171.3339 74 E 4.8411 9.1996 122.7771 53.9913 33.1038 174.5804 75 E 4.3963 8.6990 126.1044 56.7486 31.3846 175.5930 76 H 4.8116 8.9331 120.6308 53.7351 30.9467 170.9985 77 L 4.5033 8.2209 124.1086 54.4301 43.2323 175.4386 78 L 4.5351 8.8562 126.6332 53.2238 43.8307 175.7618 79 V 5.0201 8.3489 124.4911 59.9618 32.6583 174.6602 80 R 4.4645 8.0647 122.5299 54.5495 32.8757 175.7074 81 G 3.8871 8.2372 105.7885 46.2000 0.0000 173.9068 82 K 4.6644 7.7149 117.1475 53.7998 35.3269 176.3641 83 E 4.2464 8.3195 119.6263 55.3854 31.5241 176.1913 84 P 4.4242 0.0000 0.0000 64.6726 31.4077 177.2409 85 P 4.2447 0.0000 0.0000 65.7851 31.2573 178.4027 86 D 4.3576 8.0558 117.1776 57.3039 40.7059 178.1940 87 D 4.3505 8.1629 118.5828 57.4296 41.2339 178.4939 88 I 3.8157 7.8428 120.3038 64.3726 37.2843 178.6066 89 V 3.6334 8.0142 119.1994 66.1026 31.3838 177.8372 90 D 4.3758 8.4932 118.9951 57.2618 40.6874 178.4432 91 F 4.3580 8.9900 122.6995 60.7918 39.3580 176.9930 92 A 3.9257 8.3170 120.3419 55.3352 18.0056 179.3922 93 D 4.2623 8.0331 116.9575 57.4094 40.6752 178.8357 94 E 3.9943 8.1447 119.2759 58.6474 29.1859 178.6139 95 V 4.0981 7.1820 109.7992 59.6228 32.4630 175.3490 96 D 4.2183 7.6780 116.9430 54.6535 40.0422 173.8353 97 A 4.2095 7.7931 119.9418 52.3299 19.3035 178.6999 98 I 3.7799 8.4326 122.4870 64.3350 37.6366 176.2570 99 A 4.6077 7.3588 118.5156 51.3852 22.6276 175.0127 100 I 4.9318 8.5511 120.6990 59.6500 39.7915 175.0983 101 V 4.8339 8.9742 127.2894 61.2215 33.8527 174.2174 102 I 4.8586 8.7045 126.7924 59.4297 41.8487 174.0262 103 G 4.1979 8.7429 114.6334 46.0256 0.0000 172.7430 104 I 4.7713 8.1804 123.5369 59.2975 38.7750 176.3940 105 R 3.7827 9.3042 126.8878 57.7265 30.3136 177.1817 106 K 4.1589 8.9254 124.1088 55.9945 32.4870 175.4920 107 R 5.0553 7.3853 116.1057 54.2797 33.9224 175.2798 108 S 4.6947 8.7108 116.0621 56.0998 65.1604 173.2146 109 P 4.3518 0.0000 0.0000 64.9169 31.0151 177.5562 110 T 4.3910 7.9651 106.7271 61.1250 68.8238 175.1756 111 G 3.9350 8.4337 109.8086 45.5064 0.0000 174.4612 112 K 4.1872 7.5634 120.0071 56.1690 33.3367 176.3058 113 L 4.8559 8.3834 124.4111 54.6022 42.3668 176.3653 114 I 4.5735 8.6779 116.7220 59.6654 41.0074 176.2384 115 F 4.0837 9.0853 122.6354 58.8518 39.6391 176.9275 116 G 4.2597 8.3245 107.2929 45.8363 0.0000 174.3393 117 S 4.1242 8.7511 117.9651 61.2287 63.0437 176.9926 118 V 3.5307 7.7746 121.2277 65.7009 31.3028 177.6956 119 A 3.9906 7.9748 119.9793 54.9752 18.1532 179.1661 120 R 3.1488 8.0217 117.2111 59.7976 30.0377 178.5033 121 D 4.3356 7.7965 118.2585 56.7095 40.9466 178.9823 122 V 3.5475 8.0788 119.4798 66.1244 31.3335 178.0174 123 I 3.6667 7.6754 118.4091 64.4713 36.9868 178.0165 124 L 4.1475 7.4471 118.2916 56.8039 41.7038 178.7081 125 K 4.2219 8.1515 116.7832 56.4062 32.8342 177.2383 126 A 4.2017 7.1718 121.8480 52.1954 18.8607 177.2095 127 N 4.5385 8.5920 117.6529 54.7272 39.3345 176.1464 128 K 4.4176 7.6483 116.4142 54.1261 33.7986 174.2851 129 P 4.4071 0.0000 0.0000 63.3123 32.4666 175.6361 130 V 4.7658 8.3155 122.2171 61.2291 34.0930 174.4641 131 I 4.3629 9.1436 129.3540 60.0058 39.0102 174.2976 132 C 5.0502 8.5955 125.3352 58.1574 29.7957 173.2921 133 I 4.3462 8.6575 125.1855 59.2300 39.8158 176.3302 134 K 4.1325 8.5313 124.7061 56.6389 32.1153 176.5863 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 2 I 8.02 4.02 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.34 0.93 0.00 0.00 3 Y 7.81 4.83 0.00 3.02 2.37 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 *5 P 0.00 4.13 0.00 1.46 1.31 0.00 3.58 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 1.55 0.96 0.00 6 I 8.29 4.42 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 1.06 0.95 0.95 0.00 0.00 7 V 8.56 4.96 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 1.14 0.00 0.00 1.07 0.00 0.00 8 V 8.87 5.00 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 0.89 0.00 0.00 1.06 0.00 0.00 9 A 8.65 5.10 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 10 V 8.48 4.34 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 0.81 0.00 0.00 1.07 0.00 0.00 11 D 9.13 4.59 0.00 2.65 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 12 K 7.34 4.58 0.00 1.71 1.67 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.39 7.81 13 K 8.09 3.02 0.00 1.17 0.74 0.00 0.61 0.00 0.00 0.81 0.00 0.00 2.51 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.88 7.81 14 S 8.02 4.53 0.00 4.00 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 15 D 8.72 4.64 0.00 2.82 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 16 R 8.05 3.93 0.00 1.91 1.96 0.00 3.20 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 17 A 8.18 4.16 1.66 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 18 E 8.69 3.92 0.00 2.41 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 2.42 3.00 0.00 19 R 7.81 4.01 0.00 2.02 2.02 0.00 3.16 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 20 V 7.99 3.66 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 1.09 0.00 0.00 1.01 0.00 0.00 21 L 7.97 4.08 0.00 1.83 1.61 0.71 0.86 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 22 R 8.41 3.94 0.00 1.99 1.99 0.00 3.12 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.00 23 F 8.52 3.96 0.00 3.20 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.10 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 25 A 8.52 3.94 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 26 E 8.02 3.72 0.00 1.89 1.77 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 2.04 2.19 0.00 27 E 7.90 3.79 0.00 2.17 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 2.02 2.57 0.00 28 A 7.98 3.93 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 29 R 8.06 3.81 0.00 1.84 1.96 0.00 3.15 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.82 0.00 30 L 7.77 4.06 0.00 1.67 1.68 0.81 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.82 4.14 0.00 1.79 1.84 0.00 3.30 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 32 G 8.20 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 33 V 7.33 4.67 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 0.40 0.00 0.00 0.83 0.00 0.00 34 P 0.00 4.83 0.00 2.32 2.32 0.00 3.70 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 35 V 8.98 4.75 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 1.13 0.00 0.00 0.95 0.00 0.00 36 Y 9.04 5.36 0.00 3.09 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 37 V 8.83 4.63 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 1.02 0.00 0.00 0.99 0.00 0.00 38 V 9.03 5.23 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 0.55 0.00 0.00 0.95 0.00 0.00 39 H 8.44 5.11 0.00 3.23 3.07 0.00 5.82 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.43 5.23 0.00 3.86 3.59 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 41 L 8.89 5.00 0.00 1.57 1.49 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.13 0.00 2.11 2.30 0.00 3.66 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 2.07 1.97 0.00 43 G 8.72 4.01 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 0.00 0.00 0.00 44 G 7.77 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 45 G 8.60 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 0.00 0.00 0.00 46 R 7.83 4.08 0.00 1.93 2.06 0.00 3.20 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 47 T 7.77 3.93 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 1.21 0.00 0.00 48 K 9.04 4.40 0.00 1.92 1.92 0.00 1.21 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.73 1.33 7.81 49 D 8.56 4.39 0.00 2.92 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 50 E 8.14 4.04 0.00 2.02 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 2.38 0.00 51 D 7.87 4.33 0.00 2.99 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 52 I 7.66 3.72 2.00 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 1.82 0.96 0.90 0.00 0.00 53 I 7.71 3.64 1.99 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 1.64 0.84 0.89 0.00 0.00 54 E 8.30 3.82 0.00 2.09 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 0.00 2.25 2.32 0.00 55 A 7.83 3.80 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 56 K 8.10 3.92 0.00 1.95 2.00 0.00 1.52 0.00 0.00 1.63 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.52 7.81 57 E 8.42 4.02 0.00 2.19 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 2.33 2.47 0.00 58 T 8.11 3.92 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 1.26 0.00 0.00 59 L 8.07 4.08 0.00 1.89 1.74 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.24 4.39 0.00 4.05 4.11 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 61 W 8.78 4.28 0.00 3.41 3.51 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 62 A 8.71 3.51 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 63 V 8.17 3.58 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 1.02 0.00 0.00 64 S 7.97 4.09 0.00 4.06 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 65 I 7.20 3.48 1.59 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 -0.04 0.70 0.00 0.00 66 I 7.42 3.63 2.02 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 1.70 1.35 0.94 0.00 0.00 67 R 8.01 4.30 0.00 1.82 1.96 0.00 3.12 0.00 0.00 3.18 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 68 K 7.87 3.97 0.00 1.71 2.06 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.59 7.81 69 E 7.76 4.43 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 70 G 8.10 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 71 A 7.71 4.83 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 72 E 8.66 4.46 0.00 2.10 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 2.42 2.36 0.00 73 G 8.73 4.59 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 0.00 0.00 0.00 74 E 9.20 4.84 0.00 2.14 1.66 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 2.02 2.23 0.00 75 E 8.70 4.40 0.00 1.89 1.81 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 2.40 2.32 0.00 76 H 8.93 4.81 0.00 2.89 2.76 0.00 5.61 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.22 4.50 0.00 1.61 1.53 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.86 4.54 0.00 1.59 1.60 0.71 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.35 5.02 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 1.20 0.00 0.00 0.93 0.00 0.00 80 R 8.06 4.46 0.00 1.69 1.87 0.00 3.42 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 81 G 8.24 3.89 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 0.00 0.00 0.00 82 K 7.71 4.66 0.00 1.73 1.72 0.00 1.90 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.58 7.81 83 E 8.32 4.25 0.00 2.12 1.85 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 2.39 2.33 0.00 84 P 0.00 4.42 0.00 2.13 2.07 0.00 3.87 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 2.09 2.02 0.00 85 P 0.00 4.24 0.00 2.14 2.15 0.00 3.60 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 2.10 2.16 0.00 86 D 8.06 4.36 0.00 2.82 2.73 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 87 D 8.16 4.35 0.00 2.93 2.73 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 88 I 7.84 3.82 2.04 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 1.41 0.59 0.97 0.00 0.00 89 V 8.01 3.63 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 1.04 0.00 0.00 1.01 0.00 0.00 90 D 8.49 4.38 0.00 3.07 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 91 F 8.99 4.36 0.00 3.21 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.32 3.93 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 93 D 8.03 4.26 0.00 2.88 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.14 3.99 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 95 V 7.18 4.10 2.01 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 0.19 0.00 0.00 0.57 0.00 0.00 96 D 7.68 4.22 0.00 2.63 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.79 4.21 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 98 I 8.43 3.78 1.83 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 1.18 0.51 0.88 0.00 0.00 99 A 7.36 4.61 1.21 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 0.00 100 I 8.55 4.93 1.90 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 1.17 0.84 0.96 0.00 0.00 101 V 8.97 4.83 2.16 0.00 0.00 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 1.04 0.00 0.00 102 I 8.70 4.86 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 1.19 1.47 0.98 0.00 0.00 103 G 8.74 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.18 4.77 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.71 0.90 0.00 0.00 105 R 9.30 3.78 0.00 1.68 2.00 0.00 3.24 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 106 K 8.93 4.16 0.00 1.94 1.90 0.00 1.52 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.31 7.81 107 R 7.39 5.06 0.00 1.76 1.74 0.00 3.22 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 108 S 8.71 4.69 0.00 3.94 4.01 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 0.00 109 P 0.00 4.35 0.00 2.06 2.15 0.00 3.63 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 2.02 2.07 0.00 110 T 7.97 4.39 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 1.21 0.00 0.00 111 G 8.43 3.94 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 0.00 0.00 0.00 112 K 7.56 4.19 0.00 1.63 1.73 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.57 7.81 113 L 8.38 4.86 0.00 1.45 1.47 0.86 0.72 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 0.00 114 I 8.68 4.57 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.69 0.95 0.00 0.00 115 F 9.09 4.08 0.00 3.08 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 0.00 116 G 8.32 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 0.00 0.00 0.00 0.00 117 S 8.75 4.12 0.00 4.06 4.15 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 0.00 0.00 0.00 0.00 118 V 7.77 3.53 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 1.10 0.00 0.00 0.93 0.00 0.00 119 A 7.97 3.99 1.44 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 0.00 0.00 120 R 8.02 3.15 0.00 1.87 2.04 0.00 3.11 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.21 0.00 121 D 7.80 4.34 0.00 2.64 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 0.00 122 V 8.08 3.55 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 1.04 0.00 0.00 1.01 0.00 0.00 123 I 7.68 3.67 1.77 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 1.51 0.77 0.84 0.00 0.00 124 L 7.45 4.15 0.00 1.49 1.66 0.81 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.15 4.22 0.00 1.78 1.84 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.47 7.81 126 A 7.17 4.20 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 0.00 127 N 8.59 4.54 0.00 3.03 2.87 0.00 0.00 6.96 7.61 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 0.00 128 K 7.65 4.42 0.00 1.74 1.73 0.00 2.04 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.38 7.81 129 P 0.00 4.41 0.00 2.08 1.99 0.00 3.66 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 2.22 2.10 0.00 130 V 8.32 4.77 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 0.83 0.00 0.00 0.93 0.00 0.00 131 I 9.14 4.36 1.88 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.54 0.71 0.00 0.00 132 C 8.60 5.05 0.00 2.83 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 0.00 133 I 8.66 4.35 1.82 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.83 0.87 0.00 0.00 134 K 8.53 4.13 0.00 1.69 1.69 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.