#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2m s PRO 474 N 0.00 2.00 -0.05 1.61 0.04 -1.26 -5.00 135.00 132.34 2k2m s PRO 474 Ca 0.00 1.00 0.17 0.00 0.04 0.00 0.00 61.00 62.20 2k2m s PRO 474 Cb 0.00 -1.88 0.54 0.00 0.04 0.00 0.00 34.50 33.20 2k2m s PRO 474 CO 0.00 -1.78 1.45 1.28 0.04 0.00 0.00 177.00 178.00 2k2m n LEU 475 N -3.59 3.81 0.00 -3.56 7.99 -1.26 -4.95 117.00 115.44 2k2m n LEU 475 Ca 0.08 -2.22 0.00 0.00 -0.01 0.00 0.00 56.01 53.86 2k2m n LEU 475 Cb 0.54 -0.43 0.00 0.00 -0.11 0.00 0.00 43.42 43.42 2k2m n LEU 475 CO 0.55 0.82 0.00 0.61 -1.51 0.00 0.00 177.39 177.86 2k2m n GLY 476 N 0.89 0.44 1.53 -0.72 0.00 -1.26 -4.97 105.19 101.10 2k2m n GLY 476 Ca 0.20 -0.88 -0.01 0.00 0.00 0.00 0.00 46.02 45.33 2k2m n GLY 476 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k2m n SER 477 N 1.60 5.30 -3.10 1.61 7.64 -1.26 -4.76 113.62 120.65 2k2m n SER 477 Ca 0.00 -2.40 -0.34 0.00 1.01 0.00 0.00 58.87 57.14 2k2m n SER 477 Cb 0.00 -1.13 -0.04 0.00 -1.01 0.00 0.00 64.21 62.03 2k2m n SER 477 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k2m n GLY 478 N 1.55 4.57 3.19 0.23 0.00 -1.26 -4.90 105.19 108.56 2k2m n GLY 478 Ca 0.02 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 2k2m n GLY 478 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k2m n ALA 479 N 2.16 2.84 -2.37 4.61 0.00 -1.26 -4.87 120.51 121.63 2k2m n ALA 479 Ca 0.63 -3.20 -0.19 0.00 0.00 0.00 0.00 53.44 50.68 2k2m n ALA 479 Cb 0.37 -3.64 -0.10 0.00 0.00 0.00 0.00 19.45 16.08 2k2m n ALA 479 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k2m s LEU 480 N 1.94 2.29 -0.14 0.00 1.43 -1.26 -5.16 118.68 117.78 2k2m s LEU 480 Ca 0.60 -1.21 -0.00 0.00 -1.03 0.00 0.00 54.13 52.48 2k2m s LEU 480 Cb 0.13 -0.39 0.03 0.00 0.03 0.00 0.00 46.19 45.99 2k2m s LEU 480 CO 0.15 -0.46 -0.08 -0.75 0.23 0.00 0.00 176.35 175.44 2k2m s LYS 481 N -3.82 1.62 0.21 1.70 2.36 -1.26 -5.13 119.74 115.41 2k2m s LYS 481 Ca 0.29 -0.40 0.07 0.00 -2.55 0.00 0.00 55.97 53.37 2k2m s LYS 481 Cb 0.05 -1.82 -0.04 0.00 -1.05 0.00 0.00 37.83 34.97 2k2m s LYS 481 CO 0.10 -0.32 0.12 -1.58 1.55 0.00 0.00 175.35 175.22 2k2m s TRP 482 N 1.64 3.04 -0.13 4.03 0.52 -1.26 -2.18 118.94 124.60 2k2m s TRP 482 Ca 0.03 -0.09 -0.01 0.00 0.02 0.00 0.00 56.10 56.06 2k2m s TRP 482 Cb -0.14 -1.42 0.03 0.00 -1.15 0.00 0.00 33.47 30.80 2k2m s TRP 482 CO -0.08 0.53 -0.04 0.14 0.02 0.00 0.00 176.95 177.51 2k2m s VAL 483 N -1.93 0.86 0.40 4.03 -7.23 0.17 -2.60 120.40 114.10 2k2m s VAL 483 Ca 0.31 -0.32 -0.24 0.00 -1.81 0.00 0.00 61.98 59.92 2k2m s VAL 483 Cb -0.09 -1.00 -0.09 0.00 0.56 0.00 0.00 36.38 35.77 2k2m s VAL 483 CO 0.23 0.23 1.07 -0.22 -0.31 0.00 0.00 175.10 176.09 2k2m s LEU 484 N 1.76 4.15 0.61 1.32 2.96 -0.80 -2.20 118.68 126.48 2k2m s LEU 484 Ca 0.03 2.09 -0.15 0.00 -0.22 0.00 0.00 54.13 55.88 2k2m s LEU 484 Cb -0.14 -4.16 -0.03 0.00 0.50 0.00 0.00 46.19 42.36 2k2m s LEU 484 CO -0.07 -0.53 1.05 0.00 -1.32 0.00 0.00 176.35 175.48 2k2m n ASN 486 N -2.26 3.53 -3.70 0.00 4.13 0.09 -4.66 115.26 112.39 2k2m n ASN 486 Ca 0.08 -0.10 -0.11 0.00 1.68 0.00 0.00 54.58 56.14 2k2m n ASN 486 Cb 0.53 0.90 -0.11 0.00 -1.54 0.00 0.00 39.78 39.56 2k2m n ASN 486 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2k2m s TYR 487 N -1.61 -0.52 0.34 3.10 2.02 -1.22 -4.88 117.35 114.59 2k2m s TYR 487 Ca 0.00 1.14 -0.27 0.00 -0.37 0.00 0.00 57.07 57.57 2k2m s TYR 487 Cb 0.00 0.20 -0.12 0.00 -0.40 0.00 0.00 41.96 41.64 2k2m s TYR 487 CO 0.00 -0.31 1.14 -3.47 -1.57 0.00 0.00 175.55 171.34 2k2m n ASP 488 N 4.26 1.96 -3.43 2.29 2.03 -1.26 -4.55 116.55 117.86 2k2m n ASP 488 Ca -0.24 1.16 -0.20 0.00 0.52 0.00 0.00 54.79 56.03 2k2m n ASP 488 Cb 0.54 -1.39 -0.11 0.00 -0.72 0.00 0.00 41.12 39.45 2k2m n ASP 488 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2k2m s PHE 489 N -1.12 -0.25 0.19 -0.67 5.36 -0.20 -4.96 117.98 116.33 2k2m s PHE 489 Ca 0.58 -0.43 -0.30 0.00 -0.96 0.00 0.00 56.93 55.82 2k2m s PHE 489 Cb -0.61 -0.56 -0.08 0.00 -0.34 0.00 0.00 43.02 41.43 2k2m s PHE 489 CO 0.60 -0.91 1.15 -1.14 -1.46 0.00 0.00 175.22 173.47 2k2m s GLN 490 N 2.17 4.54 0.07 10.12 0.74 -1.26 -1.43 119.66 134.61 2k2m s GLN 490 Ca 0.10 1.81 0.00 0.00 0.05 0.00 0.00 55.36 57.32 2k2m s GLN 490 Cb -0.15 -3.25 0.00 0.00 1.10 0.00 0.00 33.01 30.71 2k2m s GLN 490 CO -0.30 0.00 0.00 0.00 -0.55 0.00 0.00 175.29 174.45 2k2m n ALA 491 N 2.32 2.00 -1.99 1.58 0.00 -1.26 -4.88 120.51 118.27 2k2m n ALA 491 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.42 2k2m n ALA 491 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.89 2k2m n ALA 491 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k2m n ARG 492 N -2.69 -2.09 -1.80 0.00 1.74 -1.24 -4.85 116.66 105.72 2k2m n ARG 492 Ca 0.00 0.28 -0.30 0.00 -0.77 0.00 0.00 57.85 57.06 2k2m n ARG 492 Cb 0.00 -4.66 0.18 0.00 -1.02 0.00 0.00 32.46 26.96 2k2m n ARG 492 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2k2m s ASN 493 N -1.80 3.03 0.63 0.55 2.47 -1.06 -4.92 114.94 113.83 2k2m s ASN 493 Ca 0.00 0.41 0.36 0.00 0.42 0.00 0.00 52.86 54.05 2k2m s ASN 493 Cb 0.00 -0.56 2.04 0.00 -1.45 0.00 0.00 41.25 41.28 2k2m s ASN 493 CO 0.00 -2.80 2.25 -1.28 -3.72 0.00 0.00 177.10 171.55 2k2m h SER 494 N -1.68 0.00 0.00 -4.21 0.87 -2.02 -3.10 113.55 103.41 2k2m h SER 494 Ca -0.45 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.08 2k2m h SER 494 Cb 1.26 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.15 2k2m h SER 494 CO 0.42 0.00 -0.53 -1.54 -0.53 0.00 0.00 176.83 174.65 2k2m n SER 495 N -3.42 0.49 -4.09 6.23 3.41 -1.26 -5.10 113.62 109.88 2k2m n SER 495 Ca -0.02 -2.18 -0.09 0.00 -0.26 0.00 0.00 58.87 56.32 2k2m n SER 495 Cb 0.15 -0.25 -0.10 0.00 -0.26 0.00 0.00 64.21 63.75 2k2m n SER 495 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2k2m s GLU 496 N -0.43 0.62 -0.04 4.33 2.02 -1.17 -3.36 118.70 120.66 2k2m s GLU 496 Ca 0.10 -1.13 0.02 0.00 0.02 0.00 0.00 54.97 53.98 2k2m s GLU 496 Cb 0.11 0.04 0.01 0.00 0.10 0.00 0.00 34.13 34.39 2k2m s GLU 496 CO -0.03 -0.06 -0.07 -1.17 0.02 0.00 0.00 175.26 173.95 2k2m s LEU 497 N -2.64 1.57 0.12 1.80 2.96 -1.26 -2.58 118.68 118.66 2k2m s LEU 497 Ca 0.04 -0.16 -0.31 0.00 -0.22 0.00 0.00 54.13 53.48 2k2m s LEU 497 Cb 0.03 -0.49 -0.10 0.00 0.50 0.00 0.00 46.19 46.13 2k2m s LEU 497 CO -0.06 0.00 1.74 -0.94 -1.32 0.00 0.00 176.35 175.77 2k2m s SER 498 N 0.56 6.49 0.08 3.68 1.04 -1.26 -4.50 113.70 119.79 2k2m s SER 498 Ca -0.08 2.67 0.07 0.00 0.48 0.00 0.00 55.95 59.09 2k2m s SER 498 Cb -0.12 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.40 2k2m s SER 498 CO 0.01 -0.95 -0.19 0.68 0.98 0.00 0.00 173.24 173.77 2k2m s VAL 499 N 2.37 1.51 0.20 5.02 -7.23 -0.52 -4.94 120.40 116.81 2k2m s VAL 499 Ca 0.77 -1.40 0.08 0.00 -1.81 0.00 0.00 61.98 59.62 2k2m s VAL 499 Cb -0.44 -1.38 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 2k2m s VAL 499 CO 0.34 -0.06 0.03 -0.54 -0.31 0.00 0.00 175.10 174.56 2k2m s LYS 500 N -1.71 2.47 0.66 4.82 -0.14 -1.26 -1.04 119.74 123.54 2k2m s LYS 500 Ca 0.04 -1.16 0.36 0.00 -1.36 0.00 0.00 55.97 53.86 2k2m s LYS 500 Cb -0.10 -2.36 2.00 0.00 -1.68 0.00 0.00 37.83 35.69 2k2m s LYS 500 CO 0.03 0.43 2.14 0.37 -0.76 0.00 0.00 175.35 177.56 2k2m h GLN 501 N 2.35 0.00 -0.22 1.68 4.15 -1.88 -1.28 115.11 119.91 2k2m h GLN 501 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.95 2k2m h GLN 501 Cb 1.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.91 2k2m h GLN 501 CO 0.59 0.00 0.00 0.54 -1.93 0.00 0.00 178.83 178.03 2k2m n ARG 502 N -3.08 2.72 -3.26 1.69 5.12 -1.26 -4.31 116.66 114.28 2k2m n ARG 502 Ca -0.02 -2.26 -0.37 0.00 -1.93 0.00 0.00 57.85 53.27 2k2m n ARG 502 Cb 0.24 -1.43 -0.06 0.00 -1.16 0.00 0.00 32.46 30.05 2k2m n ARG 502 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2k2m s ASP 503 N -1.51 6.97 -0.08 0.55 2.15 -0.48 -4.99 116.67 119.28 2k2m s ASP 503 Ca 0.26 1.23 0.02 0.00 0.43 0.00 0.00 52.55 54.49 2k2m s ASP 503 Cb 0.19 -2.35 0.01 0.00 -0.30 0.00 0.00 42.92 40.47 2k2m s ASP 503 CO 0.09 0.14 -0.15 0.54 -0.17 0.00 0.00 175.17 175.63 2k2m s VAL 504 N -1.36 1.34 0.06 1.11 0.11 -1.26 -1.84 120.40 118.57 2k2m s VAL 504 Ca 0.36 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 58.82 2k2m s VAL 504 Cb -0.17 -1.21 -0.04 0.00 -1.53 0.00 0.00 36.38 33.43 2k2m s VAL 504 CO 0.20 0.40 -0.05 -0.76 -3.33 0.00 0.00 175.10 171.56 2k2m s LEU 505 N 0.66 2.44 -0.22 2.54 1.02 -0.93 -4.47 118.68 119.72 2k2m s LEU 505 Ca -0.14 -0.90 -0.07 0.00 0.02 0.00 0.00 54.13 53.04 2k2m s LEU 505 Cb -0.16 0.06 -0.03 0.00 0.02 0.00 0.00 46.19 46.08 2k2m s LEU 505 CO 0.04 -0.48 0.06 -0.70 0.02 0.00 0.00 176.35 175.29 2k2m s GLU 506 N -3.36 3.77 -0.01 1.70 -6.30 -0.96 -0.65 118.70 112.88 2k2m s GLU 506 Ca 0.04 -0.43 -0.30 0.00 -2.50 0.00 0.00 54.97 51.78 2k2m s GLU 506 Cb 0.03 -3.27 -0.03 0.00 0.00 0.00 0.00 34.13 30.86 2k2m s GLU 506 CO -0.06 -0.01 1.04 0.54 0.02 0.00 0.00 175.26 176.79 2k2m s VAL 507 N 1.13 4.66 -0.16 3.70 0.11 -0.93 -1.58 120.40 127.33 2k2m s VAL 507 Ca 0.04 1.91 0.10 0.00 -2.93 0.00 0.00 61.98 61.11 2k2m s VAL 507 Cb -0.14 -4.23 -0.17 0.00 -1.53 0.00 0.00 36.38 30.31 2k2m s VAL 507 CO 0.03 0.12 -0.00 0.18 -3.33 0.00 0.00 175.10 172.10 2k2m n LEU 508 N 4.15 0.75 -3.69 2.54 4.77 -0.03 -4.86 117.00 120.62 2k2m n LEU 508 Ca 0.07 -0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.92 2k2m n LEU 508 Cb 0.49 0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.59 2k2m n LEU 508 CO 0.53 0.49 0.12 -0.62 -1.33 0.00 0.00 177.39 176.58 2k2m s ASP 509 N -5.12 -0.57 -0.01 -1.43 2.15 -1.17 -4.99 116.67 105.54 2k2m s ASP 509 Ca -0.12 0.99 0.01 0.00 0.43 0.00 0.00 52.55 53.86 2k2m s ASP 509 Cb 0.05 0.91 0.02 0.00 -0.30 0.00 0.00 42.92 43.59 2k2m s ASP 509 CO 0.58 -0.19 0.75 -0.90 -0.17 0.00 0.00 175.17 175.23 2k2m n ASP 510 N 3.88 0.78 0.22 -0.34 5.68 -1.26 -0.91 116.55 124.59 2k2m n ASP 510 Ca -0.20 -1.54 0.15 0.00 -0.50 0.00 0.00 54.79 52.70 2k2m n ASP 510 Cb 0.56 -0.05 0.68 0.00 -1.14 0.00 0.00 41.12 41.17 2k2m n ASP 510 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 2k2m h SER 511 N 0.00 0.00 -3.12 -1.12 0.87 -1.97 -3.45 113.55 104.76 2k2m h SER 511 Ca 0.00 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 60.07 2k2m h SER 511 Cb 0.88 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.70 2k2m h SER 511 CO 0.00 0.00 -0.59 -0.13 -0.53 0.00 0.00 176.83 175.58 2k2m s ARG 512 N -3.59 1.71 0.36 2.24 0.52 -1.26 -5.06 118.95 113.88 2k2m s ARG 512 Ca 0.01 -1.97 0.05 0.00 -0.52 0.00 0.00 55.73 53.30 2k2m s ARG 512 Cb 0.09 -0.87 0.73 0.00 0.52 0.00 0.00 34.95 35.43 2k2m s ARG 512 CO 0.42 -0.23 1.98 0.87 0.02 0.00 0.00 175.30 178.36 2k2m h LYS 513 N 2.04 0.73 -5.44 3.54 1.57 -1.96 -3.35 116.57 113.70 2k2m h LYS 513 Ca -0.40 -0.04 -0.64 0.00 -1.87 0.00 0.00 60.65 57.70 2k2m h LYS 513 Cb 1.25 -0.17 -0.15 0.00 0.08 0.00 0.00 32.23 33.25 2k2m h LYS 513 CO 0.68 0.49 0.69 -1.58 -0.57 0.00 0.00 179.45 179.16 2k2m s TRP 514 N -5.67 2.74 0.10 -1.35 0.52 -1.26 -1.04 118.94 112.98 2k2m s TRP 514 Ca -0.10 -0.72 -0.30 0.00 0.02 0.00 0.00 56.10 55.00 2k2m s TRP 514 Cb 0.19 -4.33 -0.06 0.00 -1.15 0.00 0.00 33.47 28.11 2k2m s TRP 514 CO 0.77 -1.66 1.18 -1.58 0.02 0.00 0.00 176.95 175.68 2k2m s TRP 515 N 3.92 3.47 0.00 -1.98 0.52 -0.28 -4.75 118.94 119.83 2k2m s TRP 515 Ca 0.26 1.38 -0.26 0.00 0.02 0.00 0.00 56.10 57.50 2k2m s TRP 515 Cb -0.13 -3.39 -0.04 0.00 -1.15 0.00 0.00 33.47 28.75 2k2m s TRP 515 CO 0.05 -1.14 0.80 0.21 0.02 0.00 0.00 176.95 176.90 2k2m s LYS 516 N 0.56 4.50 0.05 4.98 2.20 -0.09 -2.57 119.74 129.37 2k2m s LYS 516 Ca 0.56 1.11 -0.00 0.00 -0.36 0.00 0.00 55.97 57.27 2k2m s LYS 516 Cb -0.30 -3.41 -0.04 0.00 -1.51 0.00 0.00 37.83 32.57 2k2m s LYS 516 CO 0.32 0.13 -0.04 0.14 -0.36 0.00 0.00 175.35 175.54 2k2m s VAL 517 N 0.46 0.30 -0.22 4.02 -7.23 -0.78 -0.85 120.40 116.09 2k2m s VAL 517 Ca 0.42 -1.60 -0.00 0.00 -1.81 0.00 0.00 61.98 58.98 2k2m s VAL 517 Cb -0.20 -1.23 0.03 0.00 0.56 0.00 0.00 36.38 35.54 2k2m s VAL 517 CO 0.23 -0.84 -0.11 -0.60 -0.31 0.00 0.00 175.10 173.47 2k2m s ARG 518 N -3.25 2.85 0.81 4.82 3.52 -0.61 -2.32 118.95 124.77 2k2m s ARG 518 Ca 0.02 -0.95 -0.11 0.00 -0.13 0.00 0.00 55.73 54.56 2k2m s ARG 518 Cb 0.03 -2.84 0.08 0.00 -1.56 0.00 0.00 34.95 30.66 2k2m s ARG 518 CO -0.07 -0.34 1.09 0.16 -0.81 0.00 0.00 175.30 175.33 2k2m s ASP 519 N 1.30 4.21 0.05 -2.12 1.47 -1.21 -2.27 116.67 118.10 2k2m s ASP 519 Ca 0.01 1.66 0.18 0.00 1.18 0.00 0.00 52.55 55.58 2k2m s ASP 519 Cb -0.16 -2.37 0.76 0.00 -0.34 0.00 0.00 42.92 40.81 2k2m s ASP 519 CO -0.07 -2.20 1.57 -0.81 0.68 0.00 0.00 175.17 174.34 2k2m n PRO 520 N -3.61 0.04 0.20 2.11 -0.04 -1.26 -2.66 135.00 129.78 2k2m n PRO 520 Ca 0.08 0.25 0.09 0.00 -0.04 0.00 0.00 63.50 63.88 2k2m n PRO 520 Cb 0.54 -1.58 0.31 0.00 -0.04 0.00 0.00 33.50 32.73 2k2m n PRO 520 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k2m h ALA 521 N 2.51 0.92 0.00 0.55 0.00 -1.98 -3.47 119.26 117.79 2k2m h ALA 521 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2k2m h ALA 521 Cb 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2k2m h ALA 521 CO 0.00 0.33 0.00 0.41 0.00 0.00 0.00 179.25 179.99 2k2m n GLY 522 N 0.57 1.20 1.68 0.00 0.00 -1.09 -5.13 105.19 102.41 2k2m n GLY 522 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 2k2m n GLY 522 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k2m n GLN 523 N -1.08 0.56 -3.95 1.61 6.02 -1.26 -4.98 117.38 114.30 2k2m n GLN 523 Ca 0.00 -1.26 -0.09 0.00 -0.01 0.00 0.00 57.00 55.64 2k2m n GLN 523 Cb 0.00 -0.20 -0.10 0.00 1.02 0.00 0.00 30.24 30.96 2k2m n GLN 523 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2k2m s GLU 524 N -3.35 0.45 0.23 -1.09 2.02 -1.26 -3.34 118.70 112.35 2k2m s GLU 524 Ca 0.27 -0.65 -0.21 0.00 0.02 0.00 0.00 54.97 54.40 2k2m s GLU 524 Cb -0.02 0.17 0.06 0.00 0.10 0.00 0.00 34.13 34.45 2k2m s GLU 524 CO 0.18 -0.10 0.94 0.20 0.02 0.00 0.00 175.26 176.50 2k2m s GLY 525 N -1.74 0.05 -0.07 -1.39 0.00 -0.98 -4.74 107.32 98.46 2k2m s GLY 525 Ca -0.11 -0.29 0.04 0.00 0.00 0.00 0.00 44.72 44.36 2k2m s GLY 525 CO -0.02 0.94 -0.18 -0.19 0.00 0.00 0.00 173.10 173.65 2k2m s TYR 526 N -2.65 2.62 0.04 1.90 2.02 -1.22 -1.86 117.35 118.20 2k2m s TYR 526 Ca 0.17 -0.43 -0.11 0.00 -0.37 0.00 0.00 57.07 56.32 2k2m s TYR 526 Cb -0.03 -1.66 0.01 0.00 -0.40 0.00 0.00 41.96 39.88 2k2m s TYR 526 CO 0.06 -0.02 0.23 0.14 -1.57 0.00 0.00 175.55 174.39 2k2m s VAL 527 N -0.34 0.10 0.37 0.71 -7.23 -1.06 -4.21 120.40 108.73 2k2m s VAL 527 Ca 0.03 -0.79 -0.26 0.00 -1.81 0.00 0.00 61.98 59.15 2k2m s VAL 527 Cb -0.12 -0.87 -0.09 0.00 0.56 0.00 0.00 36.38 35.85 2k2m s VAL 527 CO 0.02 -0.43 1.16 -2.16 -0.31 0.00 0.00 175.10 173.38 2k2m s PRO 528 N -2.41 4.20 0.64 4.82 0.04 -1.26 -1.13 135.00 139.89 2k2m s PRO 528 Ca -0.06 1.85 0.36 0.00 0.04 0.00 0.00 61.00 63.18 2k2m s PRO 528 Cb -0.02 -2.80 1.99 0.00 0.04 0.00 0.00 34.50 33.72 2k2m s PRO 528 CO -0.03 -0.20 2.20 0.10 0.04 0.00 0.00 177.00 179.11 2k2m h TYR 529 N 2.91 0.00 -0.27 0.56 -0.00 -1.44 -2.68 116.97 116.05 2k2m h TYR 529 Ca -0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 58.73 58.21 2k2m h TYR 529 Cb 1.23 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 37.94 2k2m h TYR 529 CO 0.56 0.00 -0.01 -0.97 -0.00 0.00 0.00 178.16 177.74 2k2m h ASN 530 N 0.00 0.37 0.06 0.10 -0.73 -1.91 -2.97 115.58 110.50 2k2m h ASN 530 Ca 0.02 -0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.13 2k2m h ASN 530 Cb 0.27 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 38.76 2k2m h ASN 530 CO -0.00 0.45 -0.25 2.30 -0.37 0.00 0.00 177.43 179.56 2k2m n ILE 531 N -4.31 0.00 -3.89 2.57 -6.64 -1.01 -4.92 119.36 101.16 2k2m n ILE 531 Ca 0.01 -0.26 -0.21 0.00 -1.77 0.00 0.00 62.75 60.52 2k2m n ILE 531 Cb 0.22 0.92 -0.02 0.00 -1.44 0.00 0.00 39.64 39.32 2k2m n ILE 531 CO 0.00 0.00 0.00 -0.76 -1.77 0.00 0.00 176.55 174.02 2k2m s LEU 532 N -2.32 4.20 0.07 7.28 1.43 -1.12 -0.73 118.68 127.48 2k2m s LEU 532 Ca 0.25 -0.02 -0.06 0.00 -1.03 0.00 0.00 54.13 53.27 2k2m s LEU 532 Cb 0.19 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.61 2k2m s LEU 532 CO 0.47 -0.14 0.11 0.42 0.23 0.00 0.00 176.35 177.44 2k2m s THR 533 N -2.04 0.16 1.07 5.49 -4.23 -0.39 -4.81 115.64 110.89 2k2m s THR 533 Ca 0.36 -1.33 -0.12 0.00 -1.18 0.00 0.00 61.69 59.42 2k2m s THR 533 Cb -0.09 -1.29 0.23 0.00 1.34 0.00 0.00 72.50 72.69 2k2m s THR 533 CO 0.29 -0.73 1.06 -2.16 -0.54 0.00 0.00 174.62 172.54 2k2m s PRO 534 N -3.60 -0.14 -0.68 3.99 0.04 -1.26 -1.90 135.00 131.45 2k2m s PRO 534 Ca 0.03 0.91 0.05 0.00 0.04 0.00 0.00 61.00 62.03 2k2m s PRO 534 Cb 0.04 -1.64 0.22 0.00 0.04 0.00 0.00 34.50 33.17 2k2m s PRO 534 CO -0.09 -3.22 0.67 0.98 0.04 0.00 0.00 177.00 175.38 2k2m n TYR 535 N -4.57 3.52 -2.08 0.56 9.36 -1.07 -4.25 117.16 118.63 2k2m n TYR 535 Ca 0.05 -4.19 -0.32 0.00 3.32 0.00 0.00 57.90 56.76 2k2m n TYR 535 Cb 0.54 -0.61 -0.04 0.00 -0.63 0.00 0.00 39.34 38.61 2k2m n TYR 535 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 2k2m s PRO 536 N -2.12 2.63 -0.25 2.98 0.04 -1.26 -4.82 135.00 132.20 2k2m s PRO 536 Ca 0.34 -0.01 0.03 0.00 0.04 0.00 0.00 61.00 61.41 2k2m s PRO 536 Cb 0.08 -4.82 0.41 0.00 0.04 0.00 0.00 34.50 30.21 2k2m s PRO 536 CO -0.07 -3.08 1.51 0.00 0.04 0.00 0.00 177.00 175.40 2k2m n ALA 537 N 13.24 4.23 -3.85 8.56 0.00 -1.26 -4.52 120.51 136.91 2k2m n ALA 537 Ca 0.32 -1.65 -0.26 0.00 0.00 0.00 0.00 53.44 51.85 2k2m n ALA 537 Cb 0.49 -1.24 -0.17 0.00 0.00 0.00 0.00 19.45 18.52 2k2m n ALA 537 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k2m s ALA 538 N -1.98 1.12 -1.04 0.00 0.00 -1.26 -4.80 121.76 113.80 2k2m s ALA 538 Ca 0.34 -0.46 -0.06 0.00 0.00 0.00 0.00 51.96 51.78 2k2m s ALA 538 Cb 0.28 -0.91 0.05 0.00 0.00 0.00 0.00 23.12 22.54 2k2m s ALA 538 CO 0.07 -0.54 0.28 0.00 0.00 0.00 0.00 175.76 175.56 2k2m n ALA 539 N 5.01 -0.98 0.00 0.00 0.00 -1.26 -5.26 120.51 118.01 2k2m n ALA 539 Ca -0.10 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2k2m n ALA 539 Cb 0.49 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.92 2k2m n ALA 539 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95