NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 F 5.0389 8.3093 122.8302 58.0131 40.5787 173.5142 5 Q 3.7182 6.4385 118.2831 55.3241 29.0321 173.9116 6 K 4.0471 9.1436 122.9701 55.5879 33.7670 177.5262 7 I 4.9023 7.6891 124.0852 59.6881 38.5784 175.0137 8 Y 4.9065 8.0052 120.3977 56.7963 39.2890 175.9092 9 S 4.5965 7.6554 111.7122 56.1097 66.2952 174.4367 10 P 4.1347 0.0000 0.0000 66.2507 31.2070 179.2001 11 T 3.7966 7.7429 114.0040 66.4963 68.5417 176.3300 12 Q 3.9454 7.7112 120.2182 58.9278 28.9575 178.0875 13 L 3.9141 8.1508 121.4427 58.0966 41.8754 178.5818 14 A 3.7577 8.0829 120.9233 55.2970 18.2554 179.0231 15 N 4.2672 7.9126 114.1227 56.5783 38.6696 177.0699 16 A 4.0270 7.9343 121.7325 55.9748 18.3991 179.7607 17 M 4.2095 8.4996 116.9168 58.0540 32.0396 178.9780 18 K 4.6575 9.2227 122.3094 59.0183 32.4261 178.1006 19 L 3.8818 8.2843 120.9636 58.4701 41.9272 178.8450 20 V 3.5568 7.8167 117.6987 66.1819 31.5253 177.8324 21 R 4.1713 8.3537 118.2008 59.8688 30.1288 178.1570 22 Q 4.0188 8.6079 118.0138 59.3732 28.4855 179.4156 23 Q 3.9619 8.3106 118.0433 58.7281 28.7616 177.6264 24 N 4.2547 7.4836 115.0062 51.7684 38.6329 175.1487 25 G 3.9210 7.2385 107.0892 46.2915 0.0000 174.1521 26 W 5.9540 7.8614 116.8026 54.6348 30.7311 176.1837 27 T 4.7768 8.4589 110.0178 59.7519 70.9358 175.3055 28 Q 4.1112 8.8226 122.3962 59.6095 28.4118 179.8262 29 S 4.1603 7.9791 114.7653 62.2179 63.2547 175.5079 30 E 3.8766 8.9782 121.4618 58.6565 29.0835 178.9983 31 L 3.6873 7.8638 117.1231 58.1981 42.1939 179.6754 32 A 3.9585 7.8165 119.9503 55.4045 18.0976 179.9275 33 K 3.9603 7.7695 115.3926 59.4743 32.1170 179.5087 34 K 4.1730 7.9593 117.9784 58.0885 32.0438 177.7141 35 I 4.2735 7.2377 110.1311 59.7542 37.8272 175.5481 36 G 3.9682 8.1528 106.9780 47.1746 0.0000 173.6398 37 I 4.7104 7.3906 109.2817 58.1299 41.2675 175.3636 38 K 4.1722 8.2900 120.5610 56.3453 32.7450 178.3080 39 Q 4.1069 8.6205 122.0643 58.5249 29.0360 178.3174 40 A 4.0727 7.9432 121.7574 55.5059 18.5449 179.3692 41 T 3.9480 7.8532 114.4043 66.9636 68.3511 176.8952 42 I 3.8947 7.7174 121.2647 64.3183 36.6874 178.2150 43 S 4.1636 8.0769 114.0732 61.1586 62.1427 175.7385 44 N 4.3117 8.7947 120.2023 56.8255 38.5987 176.6436 45 F 4.2875 8.2330 120.3714 60.8875 39.6808 175.8772 46 E 4.2056 7.9654 116.2914 56.5765 29.4177 177.0654 47 N 4.8695 7.5260 115.2465 53.1217 41.2811 174.2577 48 N 5.0711 8.4436 115.8806 51.6690 39.2737 173.9062 49 P 4.4134 0.0000 0.0000 64.0140 32.0633 177.4752 50 D 4.3788 7.7239 118.9589 57.1860 40.6905 176.7224 51 N 4.7614 7.8282 118.5407 51.7811 37.7842 173.6222 52 T 4.5172 8.1177 119.1153 61.7734 72.1834 173.4109 53 T 3.8892 8.4835 122.9903 62.6746 70.6126 174.6673 54 L 4.3008 8.7016 124.7620 58.2841 41.7460 179.7536 55 T 3.9536 8.1185 115.2209 67.2960 68.4582 176.2342 56 T 3.8595 8.0835 116.7721 66.7423 68.3578 175.7691 57 F 4.1504 8.1382 121.8652 61.7592 39.3353 177.2543 58 F 3.4293 8.7019 117.1610 60.1951 38.6194 177.5913 59 K 3.9255 8.4142 118.4512 59.5210 31.8192 178.9069 60 I 3.5079 7.5737 119.6565 64.6915 37.1865 177.8925 61 L 3.7358 7.6597 120.8845 58.3975 41.6284 179.2195 62 Q 3.9239 8.5158 118.5668 58.8665 28.5278 178.6572 63 S 4.0776 8.0950 114.2545 60.7823 62.9169 175.5843 64 L 4.1813 7.4006 120.0079 53.8350 41.9228 176.1111 65 E 3.7400 8.5199 117.7766 57.6520 27.2695 173.8669 66 L 4.9033 7.6162 116.3812 52.9276 45.4794 176.1768 67 S 4.9735 7.8876 114.0717 58.2559 64.6916 172.6640 68 M 4.6043 8.1788 116.4796 55.5246 34.6936 174.2953 69 T 4.7493 8.2595 118.0399 60.5389 71.0305 172.4411 70 L 4.7238 8.4459 123.9782 52.8968 43.4761 175.8490 71 C 4.9755 8.2878 117.0544 55.8611 33.0671 173.0602 72 D 4.5596 8.3418 119.1926 54.0941 40.9751 177.4106 73 A 4.5578 8.6514 125.2583 52.7691 18.3456 177.7242 74 K 4.2208 8.1298 125.3450 58.6335 32.8952 174.8893 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 4 F 8.31 5.04 0.00 2.84 3.12 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 0.00 5 Q 6.44 3.72 0.00 1.89 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.76 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 6 K 9.14 4.05 0.00 1.46 1.29 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.39 7.81 7 I 7.69 4.90 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.54 0.90 0.00 0.00 8 Y 8.01 4.91 0.00 2.80 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 9 S 7.66 4.60 0.00 3.97 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 10 P 0.00 4.13 0.00 2.26 2.23 0.00 3.56 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 2.07 2.12 0.00 11 T 7.74 3.80 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 1.17 0.00 0.00 12 Q 7.71 3.95 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 13 L 8.15 3.91 0.00 1.86 1.67 0.58 1.16 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 14 A 8.08 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.91 4.27 0.00 2.90 2.89 0.00 0.00 6.98 7.12 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 16 A 7.93 4.03 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 17 M 8.50 4.21 0.00 2.30 2.46 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.68 0.00 18 K 9.22 4.66 0.00 1.80 2.02 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.53 7.81 19 L 8.28 3.88 0.00 1.93 1.82 0.96 0.89 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 20 V 7.82 3.56 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 1.01 0.00 0.00 1.09 0.00 0.00 21 R 8.35 4.17 0.00 2.11 2.20 0.00 3.31 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 22 Q 8.61 4.02 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 23 Q 8.31 3.96 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.43 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 24 N 7.48 4.25 0.00 1.44 1.42 0.00 0.00 7.13 7.09 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 25 G 7.24 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 0.00 0.00 0.00 26 W 7.86 5.95 0.00 3.52 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 27 T 8.46 4.78 4.30 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 1.34 0.00 0.00 28 Q 8.82 4.11 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 29 S 7.98 4.16 0.00 3.86 3.93 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 30 E 8.98 3.88 0.00 2.04 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 2.36 2.41 0.00 31 L 7.86 3.69 0.00 1.65 1.61 0.97 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.82 3.96 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.77 3.96 0.00 1.79 1.86 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.87 7.81 34 K 7.96 4.17 0.00 1.73 1.76 0.00 1.49 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.51 7.81 35 I 7.24 4.27 1.81 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 1.42 0.58 0.82 0.00 0.00 36 G 8.15 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 37 I 7.39 4.71 1.86 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 1.26 0.74 0.94 0.00 0.00 38 K 8.29 4.17 0.00 1.85 1.85 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.43 7.81 39 Q 8.62 4.11 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 40 A 7.94 4.07 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 41 T 7.85 3.95 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 1.25 0.00 0.00 42 I 7.72 3.89 1.92 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 1.20 1.01 0.00 0.00 43 S 8.08 4.16 0.00 4.16 4.05 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 0.00 0.00 0.00 0.00 44 N 8.79 4.31 0.00 2.86 3.13 0.00 0.00 6.81 7.66 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 45 F 8.23 4.29 0.00 3.13 3.31 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 46 E 7.97 4.21 0.00 2.03 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 2.45 2.75 0.00 47 N 7.53 4.87 0.00 2.82 2.78 0.00 0.00 6.69 7.88 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 48 N 8.44 5.07 0.00 2.72 2.70 0.00 0.00 6.60 7.66 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 49 P 0.00 4.41 0.00 1.91 1.65 0.00 3.34 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.66 0.00 50 D 7.72 4.38 0.00 2.69 2.76 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 51 N 7.83 4.76 0.00 2.70 2.79 0.00 0.00 6.68 7.54 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 52 T 8.12 4.52 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 1.42 0.00 0.00 53 T 8.48 3.89 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 1.34 0.00 0.00 54 L 8.70 4.30 0.00 1.83 2.04 1.03 0.96 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 55 T 8.12 3.95 4.29 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 1.22 0.00 0.00 56 T 8.08 3.86 4.42 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 1.21 0.00 0.00 57 F 8.14 4.15 0.00 3.15 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.70 3.43 0.00 2.99 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 59 K 8.41 3.93 0.00 1.72 1.80 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.70 7.81 60 I 7.57 3.51 1.71 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.25 0.63 0.00 0.00 61 L 7.66 3.74 0.00 1.17 1.38 0.20 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.52 3.92 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.56 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 63 S 8.10 4.08 0.00 3.77 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 64 L 7.40 4.18 0.00 1.78 1.90 1.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.52 3.74 0.00 2.17 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 0.00 2.17 2.28 0.00 66 L 7.62 4.90 0.00 1.57 1.55 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.89 4.97 0.00 3.94 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 68 M 8.18 4.60 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 69 T 8.26 4.75 4.28 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 1.25 0.00 0.00 70 L 8.45 4.72 0.00 1.67 1.58 0.97 0.86 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 71 C 8.29 4.98 0.00 3.03 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 72 D 8.34 4.56 0.00 2.75 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 73 A 8.65 4.56 1.52 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 0.00 0.00 74 K 8.13 4.22 0.00 1.87 1.76 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.39 7.81