#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2m h PRO 474 N 0.00 0.00 -7.01 1.61 0.13 -2.15 -3.45 132.00 121.13 2k2m h PRO 474 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 2k2m h PRO 474 Cb 0.00 0.00 0.15 0.00 0.13 0.00 0.00 31.00 31.28 2k2m h PRO 474 CO 0.00 0.04 0.51 1.28 -0.23 0.00 0.00 178.00 179.59 2k2m n LEU 475 N -3.12 5.30 -3.85 1.56 4.77 -1.26 -5.06 117.00 115.35 2k2m n LEU 475 Ca 0.02 0.93 -0.15 0.00 -0.03 0.00 0.00 56.01 56.78 2k2m n LEU 475 Cb 0.42 -1.54 -0.15 0.00 -2.33 0.00 0.00 43.42 39.82 2k2m n LEU 475 CO 0.31 -0.86 -0.37 -0.83 -1.33 0.00 0.00 177.39 174.30 2k2m s GLY 476 N -1.04 0.15 0.24 -0.72 0.00 -1.26 -5.16 107.32 99.52 2k2m s GLY 476 Ca 0.74 0.08 -0.11 0.00 0.00 0.00 0.00 44.72 45.43 2k2m s GLY 476 CO 0.47 0.31 0.43 -0.56 0.00 0.00 0.00 173.10 173.75 2k2m s SER 477 N 0.54 -0.06 -0.02 1.64 0.01 -1.26 -5.19 113.70 109.36 2k2m s SER 477 Ca -0.05 -0.97 -0.08 0.00 1.31 0.00 0.00 55.95 56.16 2k2m s SER 477 Cb -0.08 0.56 0.01 0.00 0.21 0.00 0.00 66.02 66.72 2k2m s SER 477 CO -0.01 -1.10 0.18 -0.83 0.41 0.00 0.00 173.24 171.89 2k2m s GLY 478 N -3.03 -0.03 -0.01 3.44 0.00 -1.26 -5.05 107.32 101.37 2k2m s GLY 478 Ca 0.24 0.11 0.02 0.00 0.00 0.00 0.00 44.72 45.08 2k2m s GLY 478 CO 0.09 -0.02 0.97 0.00 0.00 0.00 0.00 173.10 174.13 2k2m n ALA 479 N 1.81 1.94 -2.70 3.20 0.00 -1.26 -5.09 120.51 118.40 2k2m n ALA 479 Ca -0.20 -1.09 -0.37 0.00 0.00 0.00 0.00 53.44 51.78 2k2m n ALA 479 Cb 0.56 -0.45 -0.06 0.00 0.00 0.00 0.00 19.45 19.50 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 -0.24 4.35 -0.60 0.00 1.02 -1.26 -5.05 118.68 116.90 2k2m s LEU 480 Ca 0.03 0.62 0.06 0.00 0.02 0.00 0.00 54.13 54.85 2k2m s LEU 480 Cb 0.02 -2.33 0.28 0.00 0.02 0.00 0.00 46.19 44.18 2k2m s LEU 480 CO 0.00 0.26 0.80 2.29 0.02 0.00 0.00 176.35 179.72 2k2m n LYS 481 N 2.61 2.63 -0.66 1.70 2.85 -1.26 -5.10 118.16 120.94 2k2m n LYS 481 Ca -0.15 -4.63 -0.31 0.00 -1.05 0.00 0.00 58.31 52.17 2k2m n LYS 481 Cb 0.53 -2.19 0.18 0.00 -0.65 0.00 0.00 35.03 32.90 2k2m n LYS 481 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 2k2m n TRP 482 N 0.50 -0.61 -4.17 5.58 7.02 -1.26 -4.32 117.44 120.18 2k2m n TRP 482 Ca 0.30 0.18 -0.23 0.00 -1.02 0.00 0.00 57.50 56.72 2k2m n TRP 482 Cb 0.42 -1.80 -0.17 0.00 -2.42 0.00 0.00 31.31 27.33 2k2m n TRP 482 CO 0.00 0.00 0.00 0.14 -2.02 0.00 0.00 177.69 175.81 2k2m s VAL 483 N -2.46 0.82 0.39 -0.99 -7.23 -0.09 -3.95 120.40 106.88 2k2m s VAL 483 Ca 0.63 -0.24 -0.15 0.00 -1.81 0.00 0.00 61.98 60.42 2k2m s VAL 483 Cb -0.21 -0.82 -0.08 0.00 0.56 0.00 0.00 36.38 35.82 2k2m s VAL 483 CO 0.63 0.30 0.81 -0.22 -0.31 0.00 0.00 175.10 176.32 2k2m s LEU 484 N 1.18 3.91 0.01 1.32 0.20 -1.12 -2.10 118.68 122.08 2k2m s LEU 484 Ca -0.06 1.34 -0.12 0.00 0.69 0.00 0.00 54.13 55.99 2k2m s LEU 484 Cb -0.14 -4.19 -0.05 0.00 -0.43 0.00 0.00 46.19 41.37 2k2m s LEU 484 CO -0.02 -0.34 0.36 0.00 -0.29 0.00 0.00 176.35 176.07 2k2m n ASN 486 N 1.52 1.59 -3.69 0.00 4.13 -0.11 -4.59 115.26 114.11 2k2m n ASN 486 Ca -0.13 -0.31 -0.11 0.00 1.68 0.00 0.00 54.58 55.71 2k2m n ASN 486 Cb 0.53 1.32 -0.11 0.00 -1.54 0.00 0.00 39.78 39.98 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 -2.52 -0.59 0.74 3.10 2.02 -1.25 -4.92 117.35 113.93 2k2m s TYR 487 Ca -0.01 1.23 -0.15 0.00 -0.37 0.00 0.00 57.07 57.77 2k2m s TYR 487 Cb 0.08 0.20 0.04 0.00 -0.40 0.00 0.00 41.96 41.88 2k2m s TYR 487 CO 0.48 -0.37 1.24 0.16 -1.57 0.00 0.00 175.55 175.49 2k2m s ASP 488 N 1.85 4.05 -0.25 2.29 -4.77 -1.26 -4.69 116.67 113.90 2k2m s ASP 488 Ca -0.06 2.46 -0.03 0.00 -3.30 0.00 0.00 52.55 51.62 2k2m s ASP 488 Cb -0.10 -2.60 0.14 0.00 -1.09 0.00 0.00 42.92 39.26 2k2m s ASP 488 CO -0.12 -2.36 0.40 0.12 0.70 0.00 0.00 175.17 173.91 2k2m s PHE 489 N -1.85 -0.89 -0.07 2.11 5.36 -0.67 -5.00 117.98 116.97 2k2m s PHE 489 Ca 0.77 0.94 -0.30 0.00 -0.96 0.00 0.00 56.93 57.38 2k2m s PHE 489 Cb -0.32 0.08 -0.03 0.00 -0.34 0.00 0.00 43.02 42.41 2k2m s PHE 489 CO 0.46 -0.72 1.26 1.14 -1.46 0.00 0.00 175.22 175.90 2k2m s GLN 490 N 2.57 4.30 -0.21 10.12 1.03 -1.26 -1.65 119.66 134.56 2k2m s GLN 490 Ca 0.13 1.73 -0.06 0.00 0.04 0.00 0.00 55.36 57.20 2k2m s GLN 490 Cb -0.15 -3.63 0.10 0.00 0.03 0.00 0.00 33.01 29.36 2k2m s GLN 490 CO -0.16 -0.55 0.43 0.00 -2.54 0.00 0.00 175.29 172.47 2k2m s ALA 491 N 2.64 -1.21 0.00 2.60 0.00 -1.26 -4.92 121.76 119.61 2k2m s ALA 491 Ca 0.57 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.97 2k2m s ALA 491 Cb -0.25 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.43 2k2m s ALA 491 CO 0.21 -0.88 0.65 0.54 0.00 0.00 0.00 175.76 176.28 2k2m n ARG 492 N 5.39 0.00 0.09 0.00 5.12 -1.26 -1.50 116.66 124.50 2k2m n ARG 492 Ca -0.07 -0.54 -0.12 0.00 -1.93 0.00 0.00 57.85 55.19 2k2m n ARG 492 Cb 0.50 -0.32 -0.06 0.00 -1.16 0.00 0.00 32.46 31.41 2k2m n ARG 492 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 2k2m h ASN 493 N 0.00 -0.23 0.00 0.55 4.21 -1.96 -3.46 115.58 114.69 2k2m h ASN 493 Ca 0.00 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.53 2k2m h ASN 493 Cb 1.17 0.08 0.00 0.00 -1.12 0.00 0.00 38.32 38.45 2k2m h ASN 493 CO 0.00 -0.13 0.00 -0.24 -1.29 0.00 0.00 177.43 175.77 2k2m n SER 494 N -5.20 0.00 -0.18 5.81 2.88 -1.26 -4.97 113.62 110.70 2k2m n SER 494 Ca -0.07 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.50 2k2m n SER 494 Cb 0.13 0.13 0.05 0.00 -0.75 0.00 0.00 64.21 63.76 2k2m n SER 494 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k2m n SER 495 N -1.61 1.14 -4.87 -3.46 7.64 -1.26 -5.06 113.62 106.13 2k2m n SER 495 Ca 0.00 -2.20 -0.22 0.00 1.01 0.00 0.00 58.87 57.47 2k2m n SER 495 Cb 0.00 -0.21 -0.04 0.00 -1.01 0.00 0.00 64.21 62.96 2k2m n SER 495 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2k2m s GLU 496 N -1.14 3.10 -0.08 1.43 2.02 -1.26 -2.54 118.70 120.24 2k2m s GLU 496 Ca 0.11 -0.95 -0.05 0.00 0.02 0.00 0.00 54.97 54.10 2k2m s GLU 496 Cb 0.09 -2.68 0.03 0.00 0.10 0.00 0.00 34.13 31.68 2k2m s GLU 496 CO 0.01 0.41 0.18 -1.17 0.02 0.00 0.00 175.26 174.72 2k2m s LEU 497 N -3.88 0.86 0.10 1.80 0.20 -1.18 -4.26 118.68 112.33 2k2m s LEU 497 Ca 0.33 0.38 -0.31 0.00 0.69 0.00 0.00 54.13 55.22 2k2m s LEU 497 Cb -0.08 0.55 -0.08 0.00 -0.43 0.00 0.00 46.19 46.15 2k2m s LEU 497 CO 0.26 -0.12 1.40 -0.94 -0.29 0.00 0.00 176.35 176.66 2k2m s SER 498 N 0.81 6.82 0.22 3.68 1.04 -0.56 -4.58 113.70 121.13 2k2m s SER 498 Ca -0.06 2.31 0.09 0.00 0.48 0.00 0.00 55.95 58.78 2k2m s SER 498 Cb -0.08 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.42 2k2m s SER 498 CO -0.04 -0.66 -0.06 0.68 0.98 0.00 0.00 173.24 174.13 2k2m s VAL 499 N 1.24 3.28 0.28 5.02 -7.23 -0.66 -4.93 120.40 117.40 2k2m s VAL 499 Ca 0.65 -1.80 0.12 0.00 -1.81 0.00 0.00 61.98 59.13 2k2m s VAL 499 Cb -0.36 -2.69 -0.05 0.00 0.56 0.00 0.00 36.38 33.84 2k2m s VAL 499 CO 0.30 -0.24 -0.20 -0.54 -0.31 0.00 0.00 175.10 174.11 2k2m s LYS 500 N -3.23 1.67 0.51 4.82 -0.14 -1.26 -1.67 119.74 120.44 2k2m s LYS 500 Ca 0.28 -1.77 0.34 0.00 -1.36 0.00 0.00 55.97 53.47 2k2m s LYS 500 Cb -0.08 -1.75 1.74 0.00 -1.68 0.00 0.00 37.83 36.06 2k2m s LYS 500 CO 0.17 0.32 2.04 0.37 -0.76 0.00 0.00 175.35 177.50 2k2m h GLN 501 N 2.27 0.00 0.00 1.68 4.15 -1.84 -2.70 115.11 118.68 2k2m h GLN 501 Ca -0.40 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.02 2k2m h GLN 501 Cb 1.26 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.95 2k2m h GLN 501 CO 0.60 0.00 -0.05 0.54 -1.93 0.00 0.00 178.83 178.00 2k2m n ARG 502 N -2.79 1.30 -3.35 1.69 5.12 -1.26 -4.48 116.66 112.89 2k2m n ARG 502 Ca -0.01 -2.33 -0.42 0.00 -1.93 0.00 0.00 57.85 53.16 2k2m n ARG 502 Cb 0.13 -1.36 -0.09 0.00 -1.16 0.00 0.00 32.46 29.98 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 -2.52 6.19 -0.08 0.55 2.15 -1.02 -5.04 116.67 116.91 2k2m s ASP 503 Ca 0.26 -0.52 -0.21 0.00 0.43 0.00 0.00 52.55 52.51 2k2m s ASP 503 Cb 0.23 -2.21 -0.04 0.00 -0.30 0.00 0.00 42.92 40.59 2k2m s ASP 503 CO 0.02 -0.50 0.58 0.54 -0.17 0.00 0.00 175.17 175.65 2k2m s VAL 504 N 2.09 5.09 0.10 1.11 0.11 -1.26 -3.61 120.40 124.02 2k2m s VAL 504 Ca 0.12 1.19 0.03 0.00 -2.93 0.00 0.00 61.98 60.39 2k2m s VAL 504 Cb -0.17 -3.92 -0.04 0.00 -1.53 0.00 0.00 36.38 30.72 2k2m s VAL 504 CO 0.13 0.32 -0.09 -0.76 -3.33 0.00 0.00 175.10 171.36 2k2m s LEU 505 N 0.54 2.43 -0.25 2.54 1.02 -0.89 -4.52 118.68 119.55 2k2m s LEU 505 Ca 0.31 -0.86 -0.10 0.00 0.02 0.00 0.00 54.13 53.51 2k2m s LEU 505 Cb -0.17 -0.26 -0.05 0.00 0.02 0.00 0.00 46.19 45.74 2k2m s LEU 505 CO 0.14 -0.31 0.15 -0.70 0.02 0.00 0.00 176.35 175.66 2k2m s GLU 506 N -3.03 3.99 0.33 1.70 2.12 -1.20 -0.91 118.70 121.70 2k2m s GLU 506 Ca 0.07 -0.31 -0.29 0.00 0.36 0.00 0.00 54.97 54.80 2k2m s GLU 506 Cb -0.01 -3.53 -0.10 0.00 0.26 0.00 0.00 34.13 30.75 2k2m s GLU 506 CO -0.01 -0.02 1.33 0.54 -0.54 0.00 0.00 175.26 176.56 2k2m s VAL 507 N 1.27 2.66 0.00 3.70 0.11 -1.26 -2.07 120.40 124.81 2k2m s VAL 507 Ca 0.07 0.66 0.00 0.00 -2.93 0.00 0.00 61.98 59.78 2k2m s VAL 507 Cb -0.14 -3.42 0.00 0.00 -1.53 0.00 0.00 36.38 31.28 2k2m s VAL 507 CO 0.06 0.16 0.00 0.18 -3.33 0.00 0.00 175.10 172.17 2k2m n LEU 508 N 0.83 2.50 -3.84 2.54 4.77 0.13 -4.97 117.00 118.96 2k2m n LEU 508 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 2k2m n LEU 508 Cb 0.42 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.39 2k2m n LEU 508 CO 0.60 0.42 -0.16 -1.81 -1.33 0.00 0.00 177.39 175.10 2k2m s ASP 509 N -3.82 -0.09 0.00 -1.43 1.01 -1.18 -5.00 116.67 106.16 2k2m s ASP 509 Ca 0.00 0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.35 2k2m s ASP 509 Cb 0.00 0.29 0.00 0.00 1.01 0.00 0.00 42.92 44.22 2k2m s ASP 509 CO 0.00 -0.22 0.83 -0.90 0.21 0.00 0.00 175.17 175.10 2k2m n ASP 510 N 2.22 0.00 0.27 0.27 5.68 -1.26 -1.23 116.55 122.49 2k2m n ASP 510 Ca -0.18 -1.68 0.12 0.00 -0.50 0.00 0.00 54.79 52.55 2k2m n ASP 510 Cb 0.57 -0.14 0.74 0.00 -1.14 0.00 0.00 41.12 41.16 2k2m n ASP 510 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2k2m h SER 511 N 0.00 0.00 -5.27 -1.12 0.02 -1.98 -3.45 113.55 101.75 2k2m h SER 511 Ca 0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 2k2m h SER 511 Cb 1.27 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.67 2k2m h SER 511 CO 0.00 0.09 -0.57 -0.13 -1.14 0.00 0.00 176.83 175.07 2k2m s ARG 512 N -4.48 1.46 0.52 3.45 0.52 -1.26 -5.06 118.95 114.11 2k2m s ARG 512 Ca -0.04 -1.81 0.28 0.00 -0.52 0.00 0.00 55.73 53.64 2k2m s ARG 512 Cb 0.14 0.11 1.41 0.00 0.52 0.00 0.00 34.95 37.14 2k2m s ARG 512 CO 0.60 -0.45 1.93 1.57 0.02 0.00 0.00 175.30 178.97 2k2m h LYS 513 N 2.37 0.04 -6.07 3.54 -0.00 -1.96 -3.27 116.57 111.22 2k2m h LYS 513 Ca -0.33 -0.00 -0.60 0.00 -0.00 0.00 0.00 60.65 59.71 2k2m h LYS 513 Cb 1.25 -0.01 -0.10 0.00 -0.00 0.00 0.00 32.23 33.37 2k2m h LYS 513 CO 0.50 0.03 1.58 -1.58 -0.00 0.00 0.00 179.45 179.97 2k2m s TRP 514 N -5.03 2.55 0.62 0.07 0.52 -1.26 -1.17 118.94 115.23 2k2m s TRP 514 Ca -0.05 -0.91 -0.18 0.00 0.02 0.00 0.00 56.10 54.98 2k2m s TRP 514 Cb 0.21 -4.69 -0.02 0.00 -1.15 0.00 0.00 33.47 27.81 2k2m s TRP 514 CO 0.76 -1.92 1.17 -1.58 0.02 0.00 0.00 176.95 175.40 2k2m s TRP 515 N 4.99 2.44 -0.13 -1.98 0.52 -0.35 -4.74 118.94 119.70 2k2m s TRP 515 Ca 0.48 1.54 -0.02 0.00 0.02 0.00 0.00 56.10 58.12 2k2m s TRP 515 Cb 0.00 -3.37 -0.02 0.00 -1.15 0.00 0.00 33.47 28.92 2k2m s TRP 515 CO -0.07 -2.03 -0.07 0.21 0.02 0.00 0.00 176.95 175.00 2k2m s LYS 516 N -3.57 3.37 0.07 4.98 2.20 -0.36 -1.55 119.74 124.88 2k2m s LYS 516 Ca 0.74 -0.57 -0.01 0.00 -0.36 0.00 0.00 55.97 55.77 2k2m s LYS 516 Cb -0.27 -2.76 -0.04 0.00 -1.51 0.00 0.00 37.83 33.25 2k2m s LYS 516 CO 0.35 0.34 -0.02 0.14 -0.36 0.00 0.00 175.35 175.81 2k2m s VAL 517 N 0.07 0.25 -0.24 4.02 -7.23 -1.15 -0.69 120.40 115.44 2k2m s VAL 517 Ca -0.02 -1.84 -0.00 0.00 -1.81 0.00 0.00 61.98 58.31 2k2m s VAL 517 Cb -0.14 -1.64 0.03 0.00 0.56 0.00 0.00 36.38 35.19 2k2m s VAL 517 CO 0.03 -0.88 -0.10 -0.60 -0.31 0.00 0.00 175.10 173.24 2k2m s ARG 518 N -3.93 2.72 0.73 4.82 3.52 -0.88 -3.00 118.95 122.93 2k2m s ARG 518 Ca 0.11 -1.04 -0.11 0.00 -0.13 0.00 0.00 55.73 54.56 2k2m s ARG 518 Cb 0.08 -2.88 0.03 0.00 -1.56 0.00 0.00 34.95 30.61 2k2m s ARG 518 CO -0.07 -0.41 1.08 0.16 -0.81 0.00 0.00 175.30 175.25 2k2m s ASP 519 N 1.27 4.95 0.09 -2.12 1.47 -1.20 -3.22 116.67 117.90 2k2m s ASP 519 Ca -0.01 1.76 0.18 0.00 1.18 0.00 0.00 52.55 55.66 2k2m s ASP 519 Cb -0.17 -2.51 0.75 0.00 -0.34 0.00 0.00 42.92 40.65 2k2m s ASP 519 CO -0.06 -1.74 1.55 -0.81 0.68 0.00 0.00 175.17 174.79 2k2m n PRO 520 N -3.21 0.07 0.15 2.11 -0.04 -1.26 -2.07 135.00 130.74 2k2m n PRO 520 Ca 0.09 0.31 0.13 0.00 -0.04 0.00 0.00 63.50 63.98 2k2m n PRO 520 Cb 0.53 -1.63 0.39 0.00 -0.04 0.00 0.00 33.50 32.75 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 2.42 1.00 0.00 0.55 0.00 -1.98 -3.47 119.26 117.77 2k2m h ALA 521 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k2m h ALA 521 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2k2m h ALA 521 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2k2m n GLY 522 N 0.95 0.88 3.67 0.00 0.00 -0.88 -5.11 105.19 104.71 2k2m n GLY 522 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.82 -0.63 -3.91 1.61 1.13 -1.26 -4.96 117.38 107.53 2k2m n GLN 523 Ca 0.00 -2.28 -0.10 0.00 -1.94 0.00 0.00 57.00 52.68 2k2m n GLN 523 Cb 0.00 -0.95 -0.09 0.00 0.11 0.00 0.00 30.24 29.31 2k2m n GLN 523 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2k2m s GLU 524 N -5.35 0.56 -0.04 -1.09 2.02 -1.26 -3.27 118.70 110.27 2k2m s GLU 524 Ca 0.67 -0.66 -0.31 0.00 0.02 0.00 0.00 54.97 54.69 2k2m s GLU 524 Cb -0.03 0.22 0.11 0.00 0.10 0.00 0.00 34.13 34.54 2k2m s GLU 524 CO 0.46 -0.14 1.15 0.20 0.02 0.00 0.00 175.26 176.95 2k2m s GLY 525 N -1.93 -0.35 0.13 -1.39 0.00 -1.16 -4.76 107.32 97.85 2k2m s GLY 525 Ca -0.08 0.90 -0.23 0.00 0.00 0.00 0.00 44.72 45.32 2k2m s GLY 525 CO -0.03 0.25 0.68 -0.19 0.00 0.00 0.00 173.10 173.81 2k2m s TYR 526 N -2.67 3.86 0.03 1.90 2.02 -1.05 -2.91 117.35 118.53 2k2m s TYR 526 Ca 0.11 1.47 -0.14 0.00 -0.37 0.00 0.00 57.07 58.14 2k2m s TYR 526 Cb 0.01 -2.65 0.02 0.00 -0.40 0.00 0.00 41.96 38.95 2k2m s TYR 526 CO -0.04 0.55 0.31 0.14 -1.57 0.00 0.00 175.55 174.95 2k2m s VAL 527 N -1.14 0.08 0.37 0.71 -7.23 -0.59 -3.81 120.40 108.79 2k2m s VAL 527 Ca 0.33 -0.63 -0.27 0.00 -1.81 0.00 0.00 61.98 59.60 2k2m s VAL 527 Cb -0.21 -0.89 -0.09 0.00 0.56 0.00 0.00 36.38 35.74 2k2m s VAL 527 CO 0.23 -0.34 1.30 -2.16 -0.31 0.00 0.00 175.10 173.82 2k2m s PRO 528 N -2.34 4.16 0.57 4.82 0.04 -1.26 -1.21 135.00 139.79 2k2m s PRO 528 Ca -0.06 2.18 0.35 0.00 0.04 0.00 0.00 61.00 63.50 2k2m s PRO 528 Cb -0.02 -2.90 1.68 0.00 0.04 0.00 0.00 34.50 33.30 2k2m s PRO 528 CO -0.02 -0.34 2.12 0.10 0.04 0.00 0.00 177.00 178.89 2k2m h TYR 529 N 3.01 0.00 -0.12 0.56 -0.00 -1.50 -3.24 116.97 115.68 2k2m h TYR 529 Ca -0.49 0.00 0.03 0.00 -0.00 0.00 0.00 58.73 58.27 2k2m h TYR 529 Cb 1.24 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 37.96 2k2m h TYR 529 CO 0.54 0.05 0.10 -0.97 -0.00 0.00 0.00 178.16 177.88 2k2m h ASN 530 N 0.00 0.00 -0.02 0.10 -1.24 -1.92 -1.59 115.58 110.92 2k2m h ASN 530 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2k2m h ASN 530 Cb 0.32 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.37 2k2m h ASN 530 CO 0.01 0.00 -0.01 2.30 -1.29 0.00 0.00 177.43 178.44 2k2m n ILE 531 N -4.29 0.00 -4.88 2.57 -5.35 -1.22 -4.91 119.36 101.28 2k2m n ILE 531 Ca -0.00 -0.36 -0.33 0.00 -0.27 0.00 0.00 62.75 61.79 2k2m n ILE 531 Cb 0.21 0.96 -0.15 0.00 -1.74 0.00 0.00 39.64 38.92 2k2m n ILE 531 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2k2m s LEU 532 N -2.01 2.59 0.15 7.28 1.43 -0.60 -0.94 118.68 126.59 2k2m s LEU 532 Ca 0.33 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 53.11 2k2m s LEU 532 Cb 0.21 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 2k2m s LEU 532 CO 0.32 0.18 0.18 0.42 0.23 0.00 0.00 176.35 177.69 2k2m s THR 533 N 0.25 4.77 -1.80 5.49 -4.23 0.07 -4.96 115.64 115.24 2k2m s THR 533 Ca -0.10 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 2k2m s THR 533 Cb -0.16 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.24 2k2m s THR 533 CO 0.06 -0.09 0.49 -0.81 -0.54 0.00 0.00 174.62 173.72 2k2m n PRO 534 N -0.38 0.54 -3.61 3.99 -0.04 -1.26 -2.80 135.00 131.44 2k2m n PRO 534 Ca -0.08 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.17 2k2m n PRO 534 Cb 0.54 -1.05 0.01 0.00 -0.04 0.00 0.00 33.50 32.96 2k2m n PRO 534 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2k2m n TYR 535 N -0.35 -2.22 0.03 0.54 4.19 -1.25 -4.83 117.16 113.26 2k2m n TYR 535 Ca 0.00 0.81 -0.05 0.00 3.31 0.00 0.00 57.90 61.97 2k2m n TYR 535 Cb 0.03 -3.20 0.16 0.00 0.49 0.00 0.00 39.34 36.82 2k2m n TYR 535 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 2k2m h PRO 536 N -0.48 0.43 -2.86 2.98 0.13 -1.93 -3.47 132.00 126.80 2k2m h PRO 536 Ca -0.48 -0.20 0.04 0.00 -0.87 0.00 0.00 66.00 64.48 2k2m h PRO 536 Cb 1.29 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2k2m h PRO 536 CO 0.38 0.75 0.35 0.00 -0.23 0.00 0.00 178.00 179.25 2k2m s ALA 537 N -4.25 -1.02 0.63 -0.56 0.00 -1.26 -5.05 121.76 110.25 2k2m s ALA 537 Ca -0.06 -0.58 0.36 0.00 0.00 0.00 0.00 51.96 51.67 2k2m s ALA 537 Cb 0.13 0.71 2.05 0.00 0.00 0.00 0.00 23.12 26.00 2k2m s ALA 537 CO 0.80 -1.01 2.27 0.00 0.00 0.00 0.00 175.76 177.82 2k2m h ALA 538 N 2.00 1.34 -2.75 0.00 0.00 -2.04 -3.44 119.26 114.37 2k2m h ALA 538 Ca -0.30 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 2k2m h ALA 538 Cb 1.24 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.92 2k2m h ALA 538 CO 0.38 -0.05 -0.20 0.00 0.00 0.00 0.00 179.25 179.37 2k2m s ALA 539 N -4.41 -0.19 0.00 0.00 0.00 -1.26 -5.20 121.76 110.70 2k2m s ALA 539 Ca -0.05 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.10 2k2m s ALA 539 Cb 0.14 0.96 0.00 0.00 0.00 0.00 0.00 23.12 24.22 2k2m s ALA 539 CO 0.48 -0.75 0.45 0.45 0.00 0.00 0.00 175.76 176.39