NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4747 8.1233 123.5821 51.5448 20.9822 178.4082 3 N 4.0917 8.3596 114.2667 56.2655 38.4512 175.2555 4 L 3.9752 8.6729 121.0306 57.7595 42.2200 178.7527 5 N 4.2613 8.1063 115.9490 56.4146 38.5452 176.8304 6 Q 3.9110 10.2165 120.3454 59.4316 29.1634 178.3154 7 I 3.6916 7.9551 120.9243 64.5832 37.0572 177.9517 8 Q 3.9317 8.6069 120.4390 59.2604 29.0806 178.2653 9 K 3.8488 8.6859 119.6095 59.7725 32.0791 179.2460 10 E 3.9943 8.2662 118.6277 59.3184 29.4681 179.4504 11 V 3.5808 7.9684 118.3750 65.9744 31.5394 178.1894 12 S 4.1130 8.2964 115.1358 61.6267 62.7228 176.3520 13 E 3.9206 8.0739 121.4716 59.2591 29.3994 178.6208 14 I 3.6910 7.9302 120.0525 64.5351 36.9717 178.1143 15 L 3.9919 7.6548 119.6775 58.4471 42.1999 178.5765 16 S 4.1685 8.2631 115.0586 61.7023 62.7393 176.0656 17 D 4.3783 8.3566 120.9636 57.7577 40.7824 178.8666 18 Q 3.9559 8.4791 120.0628 59.4033 28.9503 179.0674 19 K 3.9448 7.9172 119.1804 59.6707 32.1362 179.5650 20 S 4.2661 8.0020 113.3208 61.1156 63.0086 176.1952 21 M 4.0485 8.2018 123.1428 58.1464 31.8369 178.3380 22 K 3.8919 8.2264 119.6309 59.3374 32.3565 178.5550 23 A 3.9842 8.0219 120.9563 55.5298 18.4865 179.4650 24 D 4.3419 7.9368 117.0004 57.4292 40.9041 179.0094 25 I 3.7272 8.1650 120.8840 64.1633 36.9834 178.4014 26 K 3.9224 8.0435 119.9884 59.5101 32.0659 178.8174 27 A 3.9216 8.1192 120.8530 54.8782 18.1627 179.8574 28 I 3.6669 7.5459 118.2336 64.5091 37.2891 178.2386 29 L 3.9631 7.8550 119.7752 57.9523 41.6276 179.0785 30 E 3.9123 8.8373 119.4606 59.3243 29.2351 178.6964 31 L 3.9184 7.4979 118.4553 58.3087 42.7003 178.5949 32 L 4.2296 8.1276 119.0404 57.6999 41.3242 179.7643 33 G 3.6928 8.2892 105.5044 47.7101 0.0000 175.2141 34 S 4.3775 7.7363 113.1779 58.3343 63.7420 174.5656 35 Q 4.1613 7.2536 122.4998 55.7285 29.1187 175.9368 36 N 4.5244 8.4928 119.7439 52.0436 39.5614 173.2283 37 P 4.3069 0.0000 0.0000 62.8846 31.8608 176.9385 38 I 3.6751 8.7270 124.9491 64.4343 37.0695 177.9961 39 K 3.8608 8.0939 118.4925 59.5505 31.9633 178.5661 40 E 3.9201 8.1659 119.3286 59.4610 29.5148 179.0399 41 S 4.3656 7.9004 114.3637 60.2082 63.1867 176.0955 42 L 4.0071 8.0409 123.5989 57.6207 41.3196 178.9893 43 E 3.9459 7.9781 118.1807 59.7351 29.2743 179.1879 44 T 3.8589 7.6298 115.1602 67.0712 68.6054 176.7997 45 V 3.6903 7.6063 119.4051 65.6706 31.5599 177.9159 46 A 3.9444 8.1886 120.5883 54.9556 18.2613 179.3823 47 A 3.8989 8.0862 119.2435 55.2573 18.4809 179.7191 48 K 3.8740 7.9232 117.8863 59.7033 32.2341 178.7263 49 I 3.6687 7.7046 119.9506 64.8045 37.0353 178.8377 50 V 3.6454 7.7714 112.7361 64.6175 31.2951 177.7741 51 N 4.2889 8.7763 117.3292 56.5533 38.7648 176.2237 52 D 4.4035 8.7122 120.2419 57.6482 41.0975 179.4245 53 L 3.9597 8.0444 118.9382 58.1916 41.5934 179.4238 54 T 3.8607 8.1796 116.0197 66.7231 68.3969 176.3556 55 K 3.8717 8.1808 120.1337 59.4934 31.9274 178.8982 56 L 3.9325 7.4686 118.5248 58.2278 42.4710 178.6274 57 I 3.8398 7.8971 113.0409 64.3339 37.1773 177.8904 58 N 4.3931 8.3006 117.4185 55.7612 38.3961 176.5871 59 D 4.3720 8.0183 118.5110 54.6898 43.0400 175.3719 60 C 4.0245 7.8618 116.7038 60.3832 25.5761 171.9645 61 P 4.3817 0.0000 0.0000 65.5705 31.4824 177.8536 62 C 4.3219 8.0088 114.6956 62.0352 28.1331 175.4118 63 N 4.3215 7.7283 117.6265 56.1734 38.0956 176.9790 64 K 3.9112 8.0561 120.5010 59.4210 32.2584 178.2835 65 E 3.9244 7.9144 119.1321 59.3507 29.6016 178.9006 66 I 3.7110 7.6666 119.3091 64.3089 37.2694 178.2275 67 L 3.9879 8.2729 120.1947 58.0319 41.6116 179.5748 68 E 4.0017 8.3421 118.1712 59.2201 29.1065 179.3007 69 A 4.0726 7.8735 120.3740 54.9412 18.4898 179.1617 70 L 4.1143 7.8303 118.3877 57.0810 42.1729 177.6217 71 G 4.1709 7.1315 104.9565 45.4298 0.0000 173.2424 72 T 4.6220 7.7046 115.8627 61.1455 70.8467 174.2482 73 Q 4.1517 8.4793 124.6242 55.1394 29.3737 174.6337 74 P 4.4709 0.0000 0.0000 62.0106 32.2619 176.5822 75 K 4.1690 8.4819 119.4889 56.8775 31.9725 177.1051 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 A 8.12 4.47 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 3 N 8.36 4.09 0.00 2.82 2.91 0.00 0.00 7.14 5.85 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 4 L 8.67 3.98 0.00 1.68 1.71 0.92 0.67 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 5 N 8.11 4.26 0.00 2.85 2.87 0.00 0.00 6.75 7.74 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 6 Q 10.22 3.91 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 7 I 7.96 3.69 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 1.41 0.49 0.91 0.00 0.00 8 Q 8.61 3.93 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 9 K 8.69 3.85 0.00 1.78 1.86 0.00 1.71 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 1.50 7.81 10 E 8.27 3.99 0.00 2.26 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 0.00 2.33 2.39 0.00 11 V 7.97 3.58 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 1.03 0.00 0.00 0.94 0.00 0.00 12 S 8.30 4.11 0.00 4.05 3.90 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 13 E 8.07 3.92 0.00 2.18 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 2.46 2.35 0.00 14 I 7.93 3.69 2.03 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 0.51 0.91 0.00 0.00 15 L 7.65 3.99 0.00 1.86 1.85 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.26 4.17 0.00 4.08 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 17 D 8.36 4.38 0.00 2.93 2.75 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 18 Q 8.48 3.96 0.00 2.32 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 19 K 7.92 3.94 0.00 1.95 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.71 1.60 7.81 20 S 8.00 4.27 0.00 4.04 4.12 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 21 M 8.20 4.05 0.00 2.09 2.35 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 22 K 8.23 3.89 0.00 2.04 1.91 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 23 A 8.02 3.98 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 24 D 7.94 4.34 0.00 2.67 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 25 I 8.16 3.73 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 1.41 1.15 0.91 0.00 0.00 26 K 8.04 3.92 0.00 1.97 2.01 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 27 A 8.12 3.92 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 28 I 7.55 3.67 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 1.52 0.92 0.91 0.00 0.00 29 L 7.85 3.96 0.00 1.87 1.73 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.84 3.91 0.00 2.05 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 0.00 2.31 2.33 0.00 31 L 7.50 3.92 0.00 1.86 1.87 0.92 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.13 4.23 0.00 1.74 1.70 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.29 3.69 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 0.00 0.00 0.00 34 S 7.74 4.38 0.00 4.07 3.99 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 0.00 0.00 0.00 35 Q 7.25 4.16 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.93 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 36 N 8.49 4.52 0.00 2.71 2.75 0.00 0.00 7.03 8.02 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 37 P 0.00 4.31 0.00 2.21 2.20 0.00 3.78 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 2.18 1.99 0.00 38 I 8.73 3.68 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 1.64 0.54 0.91 0.00 0.00 39 K 8.09 3.86 0.00 1.79 1.87 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 40 E 8.17 3.92 0.00 2.05 2.04 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 2.31 2.32 0.00 41 S 7.90 4.37 0.00 4.09 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 42 L 8.04 4.01 0.00 2.07 1.75 0.99 0.72 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 43 E 7.98 3.95 0.00 2.09 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 2.71 2.50 0.00 44 T 7.63 3.86 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 45 V 7.61 3.69 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 1.01 0.00 0.00 1.00 0.00 0.00 46 A 8.19 3.94 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 47 A 8.09 3.90 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 48 K 7.92 3.87 0.00 1.87 1.82 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.44 1.64 7.81 49 I 7.70 3.67 1.99 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 1.52 0.61 0.91 0.00 0.00 50 V 7.77 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 0.84 0.00 0.00 1.02 0.00 0.00 51 N 8.78 4.29 0.00 2.93 2.91 0.00 0.00 7.14 8.52 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 52 D 8.71 4.40 0.00 2.84 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 53 L 8.04 3.96 0.00 1.77 1.71 0.92 0.61 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 54 T 8.18 3.86 4.38 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 1.21 0.00 0.00 55 K 8.18 3.87 0.00 2.03 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 56 L 7.47 3.93 0.00 1.61 1.83 0.92 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.90 3.84 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 1.74 0.43 0.91 0.00 0.00 58 N 8.30 4.39 0.00 2.87 2.92 0.00 0.00 7.02 8.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.02 4.37 0.00 2.85 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 60 C 7.86 4.02 0.00 3.20 2.92 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 61 P 0.00 4.38 0.00 2.02 2.11 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 62 C 8.01 4.32 0.00 2.97 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 63 N 7.73 4.32 0.00 3.03 2.87 0.00 0.00 6.45 7.56 0.00 0.00 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 8.06 3.91 0.00 1.82 1.81 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.71 1.50 7.81 65 E 7.91 3.92 0.00 2.08 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 2.30 2.35 0.00 66 I 7.67 3.71 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 1.64 0.49 0.91 0.00 0.00 67 L 8.27 3.99 0.00 1.80 1.86 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.34 4.00 0.00 2.10 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 2.33 2.32 0.00 69 A 7.87 4.07 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 70 L 7.83 4.11 0.00 1.76 1.93 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.13 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 0.00 0.00 0.00 72 T 7.70 4.62 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 73 Q 8.48 4.15 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 74 P 0.00 4.47 0.00 2.04 1.97 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 75 K 8.48 4.17 0.00 1.74 1.72 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.43 7.81