NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5951 8.3001 120.2610 55.0039 33.3370 175.0240 2 A 4.0850 8.6188 125.2707 50.8580 19.5440 171.8445 3 V 3.8924 8.9829 121.1093 62.4591 32.4665 174.1725 4 N 4.7359 8.8299 125.4890 52.5581 39.5828 174.5556 5 V 4.2712 8.0234 119.9106 61.2633 34.0944 174.4429 6 Y 4.9127 8.5717 123.9668 55.8042 40.8712 176.9403 7 S 4.2832 8.8380 116.9703 61.7192 62.9193 175.9188 8 T 4.2847 7.9022 107.9622 62.2642 69.3197 175.2830 9 S 4.2403 7.8083 119.3738 58.6076 63.3586 173.8754 10 V 3.9413 8.2373 124.3481 62.3060 31.6905 175.1654 11 T 4.6722 8.0148 115.9477 59.3131 71.9834 173.2925 12 S 4.2688 8.2756 117.5844 58.2654 63.3504 174.3516 13 D 4.5016 8.2457 121.4411 54.1133 41.1532 176.5991 14 N 4.4387 8.4849 119.0078 53.7694 39.1550 174.7595 15 L 4.5837 8.0670 121.1913 53.3014 43.3519 177.7192 16 S 4.5646 8.4157 116.4162 58.3160 64.8712 175.4402 17 R 4.0566 8.7056 122.3858 59.9422 29.8410 178.0134 18 H 4.0787 8.3411 117.4411 59.7066 29.9194 176.8330 19 D 4.4851 8.2480 120.2394 57.2722 40.6252 178.5266 20 M 4.2730 8.6458 119.3882 58.7861 32.2948 178.2920 21 L 4.0703 8.4629 119.3015 57.7002 41.6648 179.3144 22 A 4.0033 8.2274 120.8314 54.8088 18.2935 179.5137 23 W 4.1450 8.4039 126.7639 60.6628 30.8554 178.1651 24 I 3.2161 7.8108 119.6149 64.5135 36.6042 178.2927 25 N 4.2662 8.4032 117.5250 56.3117 38.1383 177.4580 26 E 4.0290 8.2523 119.3821 59.2163 29.6765 179.0850 27 S 4.3280 7.8230 114.5740 60.3605 63.0716 175.5792 28 L 4.3152 7.4180 118.2695 52.9590 43.0657 176.2396 29 Q 3.3292 7.7969 116.7464 57.4046 25.9030 171.4455 30 L 4.7628 7.7709 115.8903 53.0024 45.7569 176.3494 31 N 5.0221 8.0600 115.3714 52.7532 38.9437 174.4993 32 L 4.2268 8.1453 117.7708 55.3017 42.5513 177.7660 33 T 4.5071 8.9028 111.9491 61.4744 70.4324 174.7508 34 K 4.7115 7.8093 121.3745 53.6826 36.2930 177.0450 35 I 3.8294 8.7680 123.9997 64.5274 37.0565 178.1888 36 E 4.1832 8.2963 117.1528 58.5991 29.0549 178.5754 37 Q 4.0846 8.0619 119.3408 58.0862 28.7230 177.7426 38 L 3.9534 8.0527 120.3367 56.4206 41.3553 178.4692 39 C 4.2872 7.7503 114.7356 60.9794 29.5578 175.5812 40 S 3.3561 7.3595 115.7615 58.8588 62.7348 176.1463 41 G 3.1350 7.9033 110.3271 45.7087 0.0000 175.5175 42 A 3.7038 7.4012 122.0298 54.8927 18.2099 179.5179 43 A 3.6651 7.5444 118.7983 55.4229 18.4880 179.2499 44 Y 4.1079 7.2080 114.6596 61.4313 38.0701 178.4892 45 C 4.2798 8.0686 117.6240 63.0902 28.1839 176.3038 46 Q 4.1803 8.2612 119.5856 58.9886 28.2328 178.6936 47 F 4.4522 8.5531 119.2411 60.8983 38.8730 177.6114 48 M 4.4978 8.8056 118.5313 58.6179 31.6881 178.2849 49 D 4.4654 8.3190 117.9375 57.5428 41.1888 177.9915 50 M 3.3010 7.8022 118.0270 58.1789 32.1941 177.9994 51 L 3.8996 7.9202 118.2952 56.4062 43.1641 177.9693 52 F 4.9848 8.2059 118.3995 54.2225 39.6329 170.9643 53 P 4.9633 0.0000 0.0000 63.5572 31.7924 177.0894 54 G 4.1086 8.9826 112.1926 45.2327 0.0000 174.4145 55 S 4.4098 8.5588 114.6256 59.8429 63.5789 174.0528 56 I 4.6870 7.5810 120.6949 59.3517 40.1391 176.1436 57 A 4.4348 8.2760 127.4114 51.1676 16.8117 177.9777 58 L 4.1485 8.1805 122.9561 57.0743 42.3695 180.0197 59 K 3.9873 8.1810 116.2986 59.1724 32.3886 177.5324 60 K 4.2474 7.7277 117.5440 56.9090 32.6973 177.2152 61 V 3.5346 7.6289 119.9432 62.4920 31.6968 176.0888 62 K 4.2456 8.7999 127.5941 54.9321 30.9151 177.2829 63 F 4.1741 8.3203 123.1326 59.4215 39.2331 176.5796 64 Q 4.6475 7.8644 118.3849 55.1123 29.2003 175.4558 65 A 4.2995 7.5315 120.9900 52.7700 18.7491 178.6442 66 K 4.7860 9.0260 118.7228 55.0139 34.6422 176.9205 67 L 4.5023 7.2035 119.1012 52.0230 45.8031 176.5125 68 E 3.5008 8.3579 122.8331 59.7372 29.5462 179.1186 69 H 4.2514 7.9532 114.5205 58.6432 28.6469 177.3817 70 E 3.8912 7.5350 120.8511 59.2613 29.2721 178.5465 71 Y 4.6386 7.5691 118.0292 60.7530 37.9402 178.8519 72 I 3.8671 7.9986 120.6586 64.4703 37.2054 178.4168 73 Q 4.0306 8.0859 118.7792 59.1394 28.5442 178.7815 74 N 4.2252 8.2713 117.3187 56.4249 38.4817 177.5831 75 F 4.0442 8.4613 119.2033 60.2993 38.9389 177.9528 76 K 4.0259 8.3736 118.4612 59.3327 31.8534 179.3816 77 I 3.7201 7.7453 120.2071 64.2369 36.9342 178.1105 78 L 3.9535 8.0018 121.1300 58.3502 41.8109 179.0468 79 Q 3.8585 8.3797 117.9888 58.9405 28.6453 178.7339 80 A 4.1431 8.2876 121.9440 55.0047 18.4329 179.9751 81 G 3.7526 8.1549 104.2918 48.8822 0.0000 175.9142 82 F 4.4497 8.7676 120.6894 60.3145 39.0150 177.7214 83 K 3.9952 8.5574 119.4250 59.5822 31.8309 178.7515 84 R 3.9672 8.0401 117.7944 59.1906 30.2066 177.3666 85 M 4.3093 8.1146 116.0729 54.2736 32.0027 176.9755 86 G 3.8824 7.6476 106.6472 46.1763 0.0000 173.7758 87 V 3.9774 7.9789 120.5156 62.0089 31.6269 175.4640 88 D 4.7537 8.7892 126.1678 52.7387 39.7835 176.4711 89 K 3.7719 7.5684 121.8753 56.5096 32.5684 175.9788 90 I 4.0612 8.0244 127.2983 60.5749 37.8377 175.2551 91 I 3.9751 8.1212 126.9520 59.8520 38.4010 175.9268 92 P 4.4170 0.0000 0.0000 61.2727 27.9859 176.6308 93 V 2.7711 7.2011 124.3834 66.6619 31.7702 176.3697 94 D 4.3170 7.8903 116.6957 56.5891 39.3084 178.5349 95 K 4.0640 7.7087 119.0092 59.2089 32.3448 179.1988 96 L 3.9499 7.6035 119.1803 57.8189 41.2914 179.8053 97 V 4.1234 7.4971 110.4716 63.3885 31.5630 178.1157 98 K 4.2703 7.8424 117.4313 56.9207 31.9947 177.0965 99 G 3.8657 7.9826 106.9007 46.5479 0.0000 173.6323 100 K 4.6438 7.7507 117.5496 54.3967 34.5531 177.7814 101 F 4.1324 8.8703 123.3318 61.6713 39.4033 177.7078 102 Q 4.0787 8.2217 117.1137 59.2028 28.7681 178.3046 103 D 4.3991 8.1120 119.3539 57.5543 40.9203 178.5382 104 N 4.5103 7.9193 116.2274 56.2509 38.5427 177.3479 105 F 4.3538 8.4557 122.6212 61.0659 39.2662 176.6992 106 E 3.8559 8.4364 119.2045 59.4401 29.3809 178.7346 107 F 4.3110 8.3175 120.6499 61.2771 39.4049 177.5302 108 V 3.9847 8.2557 118.9414 64.8499 31.0899 178.4288 109 Q 3.8005 8.0530 118.9006 58.4041 28.4185 178.5029 110 W 3.9099 7.8738 129.5044 60.3487 30.7717 177.7687 111 F 3.0965 8.3733 120.9973 60.8705 38.7204 176.9575 112 K 3.3574 8.2715 119.5488 59.1676 31.8837 178.9756 113 K 3.6938 7.3216 118.9061 59.0757 31.5315 179.0787 114 F 3.6227 7.2583 120.9878 60.8922 39.0929 176.7626 115 F 3.4633 7.9101 120.3878 61.4086 38.9252 176.8560 116 D 4.2245 7.9643 116.9746 57.2003 40.6299 178.4232 117 A 3.9744 7.5886 119.9997 53.8773 18.4049 177.6562 118 N 4.5504 6.7166 111.1026 53.0855 40.7868 174.5876 119 Y 3.8445 7.3470 120.4150 57.3594 39.0032 175.0036 120 D 4.2474 8.1199 125.2898 52.9567 40.2079 177.2168 121 G 3.4289 5.3800 108.2735 44.7074 0.0000 173.9526 122 K 4.1165 7.4169 118.7936 56.4422 33.1210 176.8543 123 D 4.6704 8.4648 120.9176 54.9454 41.4526 175.4888 124 Y 4.6213 8.3110 122.3831 55.5097 41.8118 174.4326 125 D 4.5255 7.9963 126.8725 52.2285 41.5147 174.7695 126 P 4.0175 0.0000 0.0000 65.0816 31.8721 178.3723 127 V 3.4969 7.5935 117.7569 65.9085 31.4235 177.7059 128 A 3.8835 7.8629 118.7453 54.9422 18.2026 179.0925 129 A 3.9924 7.3573 117.9187 54.3068 18.5005 178.2710 130 R 3.6439 7.4692 120.9361 56.2277 30.3509 176.1543 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 4.60 0.00 1.88 2.04 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 2 A 8.62 4.09 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 3 V 8.98 3.89 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 0.78 0.00 0.00 0.89 0.00 0.00 4 N 8.83 4.74 0.00 2.80 2.20 0.00 0.00 6.86 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.02 4.27 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 0.81 0.00 0.00 0.79 0.00 0.00 6 Y 8.57 4.91 0.00 3.07 2.86 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 7 S 8.84 4.28 0.00 3.92 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 8 T 7.90 4.28 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 9 S 7.81 4.24 0.00 4.07 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 10 V 8.24 3.94 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 0.81 0.00 0.00 0.93 0.00 0.00 11 T 8.01 4.67 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 1.20 0.00 0.00 12 S 8.28 4.27 0.00 3.77 3.78 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 13 D 8.25 4.50 0.00 2.64 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 14 N 8.48 4.44 0.00 2.66 2.74 0.00 0.00 6.93 7.85 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 15 L 8.07 4.58 0.00 1.69 1.66 0.82 0.84 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 16 S 8.42 4.56 0.00 4.16 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 17 R 8.71 4.06 0.00 1.57 1.95 0.00 3.19 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 18 H 8.34 4.08 0.00 3.35 3.36 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.25 4.49 0.00 2.87 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 20 M 8.65 4.27 0.00 2.52 2.40 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.93 0.00 21 L 8.46 4.07 0.00 1.86 1.71 0.95 1.12 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 22 A 8.23 4.00 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 0.00 0.00 23 W 8.40 4.15 0.00 3.38 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 24 I 7.81 3.22 1.93 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 1.43 0.77 0.70 0.00 0.00 25 N 8.40 4.27 0.00 2.77 2.88 0.00 0.00 7.13 7.20 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 26 E 8.25 4.03 0.00 2.03 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 2.35 2.40 0.00 27 S 7.82 4.33 0.00 3.58 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 28 L 7.42 4.32 0.00 1.35 1.35 -0.10 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.80 3.33 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 30 L 7.77 4.76 0.00 1.58 1.46 0.70 0.53 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 31 N 8.06 5.02 0.00 2.57 2.66 0.00 0.00 6.96 7.78 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 32 L 8.15 4.23 0.00 1.73 1.57 0.87 0.82 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 33 T 8.90 4.51 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 1.25 0.00 0.00 34 K 7.81 4.71 0.00 1.81 1.96 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.43 1.45 7.81 35 I 8.77 3.83 1.93 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.00 0.90 0.00 0.00 36 E 8.30 4.18 0.00 2.25 2.32 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 2.42 2.49 0.00 37 Q 8.06 4.08 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 38 L 8.05 3.95 0.00 1.85 1.62 1.09 0.22 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 39 C 7.75 4.29 0.00 3.17 3.15 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 40 S 7.36 3.36 0.00 3.93 3.70 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 41 G 7.90 3.13 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 0.00 0.00 0.00 42 A 7.40 3.70 1.14 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 43 A 7.54 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.21 4.11 0.00 2.97 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 45 C 8.07 4.28 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.26 4.18 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.57 2.74 0.00 47 F 8.55 4.45 0.00 3.62 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 48 M 8.81 4.50 0.00 2.42 2.61 0.00 0.00 0.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.19 3.45 0.00 49 D 8.32 4.47 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.80 3.30 0.00 2.12 0.97 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.54 0.00 51 L 7.92 3.90 0.00 1.42 0.19 0.67 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.21 4.98 0.00 3.21 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 53 P 0.00 4.96 0.00 2.15 2.16 0.00 3.82 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 54 G 8.98 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 0.00 0.00 0.00 55 S 8.56 4.41 0.00 4.18 4.37 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 56 I 7.58 4.69 2.02 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.38 1.00 0.00 0.00 57 A 8.28 4.43 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 58 L 8.18 4.15 0.00 1.84 1.91 1.17 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.18 3.99 0.00 1.90 2.01 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.50 7.81 60 K 7.73 4.25 0.00 1.95 1.88 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.37 7.81 61 V 7.63 3.53 1.58 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 -0.32 0.00 0.00 0.86 0.00 0.00 62 K 8.80 4.25 0.00 1.74 1.70 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.31 7.81 63 F 8.32 4.17 0.00 3.08 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 7.86 4.65 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 65 A 7.53 4.30 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 66 K 9.03 4.79 0.00 1.71 1.79 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.44 7.81 67 L 7.20 4.50 0.00 1.31 1.36 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.36 3.50 0.00 1.94 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 2.48 0.00 69 H 7.95 4.25 0.00 3.35 3.49 0.00 5.51 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.54 3.89 0.00 1.98 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 2.24 1.95 0.00 71 Y 7.57 4.64 0.00 3.21 3.17 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 72 I 8.00 3.87 2.10 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 1.56 0.88 0.94 0.00 0.00 73 Q 8.09 4.03 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 74 N 8.27 4.23 0.00 2.87 2.59 0.00 0.00 7.07 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.46 4.04 0.00 3.16 2.98 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 76 K 8.37 4.03 0.00 1.98 1.87 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.68 7.81 77 I 7.75 3.72 2.01 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 1.40 1.03 0.92 0.00 0.00 78 L 8.00 3.95 0.00 1.64 1.77 1.11 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.38 3.86 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 80 A 8.29 4.14 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 81 G 8.15 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.77 4.45 0.00 3.19 3.13 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 83 K 8.56 4.00 0.00 1.89 2.02 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.49 7.81 84 R 8.04 3.97 0.00 1.98 2.20 0.00 3.51 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 85 M 8.11 4.31 0.00 1.72 2.09 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.78 0.00 86 G 7.65 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 87 V 7.98 3.98 1.68 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 -0.17 0.00 0.00 0.77 0.00 0.00 88 D 8.79 4.75 0.00 2.85 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 89 K 7.57 3.77 0.00 1.14 1.38 0.00 1.03 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.30 1.01 7.81 90 I 8.02 4.06 1.80 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 1.39 0.63 0.85 0.00 0.00 91 I 8.12 3.98 1.66 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.50 0.24 0.00 0.00 92 P 0.00 4.42 0.00 2.11 2.09 0.00 3.13 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 1.77 1.92 0.00 93 V 7.20 2.77 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 0.85 0.00 0.00 0.70 0.00 0.00 94 D 7.89 4.32 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.71 4.06 0.00 1.87 1.99 0.00 1.61 0.00 0.00 1.93 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.46 7.81 96 L 7.60 3.95 0.00 1.08 1.56 0.03 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.50 4.12 2.32 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 0.86 0.00 0.00 1.07 0.00 0.00 98 K 7.84 4.27 0.00 1.86 1.90 0.00 1.80 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.76 1.60 7.81 99 G 7.98 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 0.00 100 K 7.75 4.64 0.00 1.85 1.80 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.39 7.81 101 F 8.87 4.13 0.00 3.07 3.06 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 0.00 102 Q 8.22 4.08 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.68 0.00 0.00 0.00 0.00 0.00 2.73 2.54 0.00 103 D 8.11 4.40 0.00 2.71 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 0.00 104 N 7.92 4.51 0.00 2.94 2.95 0.00 0.00 6.68 8.01 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 0.00 105 F 8.46 4.35 0.00 2.08 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 0.00 106 E 8.44 3.86 0.00 2.12 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 0.00 2.38 2.36 0.00 107 F 8.32 4.31 0.00 3.23 3.17 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 0.00 108 V 8.26 3.98 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 1.13 0.00 0.00 1.33 0.00 0.00 109 Q 8.05 3.80 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.85 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 110 W 7.87 3.91 0.00 3.29 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 0.00 111 F 8.37 3.10 0.00 2.79 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.27 3.36 0.00 1.36 1.50 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.82 0.97 7.81 113 K 7.32 3.69 0.00 1.56 1.59 0.00 1.61 0.00 0.00 1.49 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.34 7.81 114 F 7.26 3.62 0.00 1.51 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 7.91 3.46 0.00 2.78 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 0.00 116 D 7.96 4.22 0.00 2.61 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.59 3.97 1.14 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 0.00 118 N 6.72 4.55 0.00 2.00 2.30 0.00 0.00 6.93 7.34 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 0.00 119 Y 7.35 3.84 0.00 1.58 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 0.00 0.00 0.00 0.00 120 D 8.12 4.25 0.00 2.62 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 0.00 121 G 5.38 3.43 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 0.00 122 K 7.42 4.12 0.00 1.95 1.89 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.69 1.62 7.81 123 D 8.46 4.67 0.00 2.75 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 0.00 124 Y 8.31 4.62 0.00 2.93 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 0.00 125 D 8.00 4.53 0.00 2.61 2.33 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 0.00 126 P 0.00 4.02 0.00 2.31 2.27 0.00 3.71 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 1.88 2.18 0.00 127 V 7.59 3.50 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 0.93 0.00 0.00 0.86 0.00 0.00 128 A 7.86 3.88 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 0.00 129 A 7.36 3.99 1.18 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 0.00 0.00 0.00 130 R 7.47 3.64 0.00 1.58 1.26 0.00 2.42 0.00 0.00 2.74 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.31 0.00