#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d22 n GLU 502 N 0.00 0.33 0.00 0.00 0.28 -1.26 -3.61 120.64 116.38 2d22 n GLU 502 Ca 0.00 -1.99 0.07 0.00 -0.16 0.00 0.00 57.16 55.09 2d22 n GLU 502 Cb 0.00 -0.48 -0.07 0.00 1.43 0.00 0.00 31.44 32.32 2d22 n GLU 502 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 2d22 n SER 503 N -0.01 0.91 -4.26 -1.84 3.41 -1.26 -4.88 113.62 105.70 2d22 n SER 503 Ca 0.07 -0.96 -0.19 0.00 -0.26 0.00 0.00 58.87 57.53 2d22 n SER 503 Cb 0.93 0.89 -0.11 0.00 -0.26 0.00 0.00 64.21 65.66 2d22 n SER 503 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2d22 s THR 504 N -2.35 1.44 0.12 6.66 -4.23 -1.26 -5.06 115.64 110.96 2d22 s THR 504 Ca 0.07 -1.71 -0.20 0.00 -1.18 0.00 0.00 61.69 58.68 2d22 s THR 504 Cb 0.12 -1.56 -0.06 0.00 1.34 0.00 0.00 72.50 72.35 2d22 s THR 504 CO 0.59 -0.35 1.74 -0.07 -0.54 0.00 0.00 174.62 175.99 2d22 h LEU 505 N 3.58 0.01 -0.38 4.79 3.38 -1.87 -1.16 115.31 123.66 2d22 h LEU 505 Ca -0.41 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2d22 h LEU 505 Cb 1.20 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 2d22 h LEU 505 CO 0.49 0.04 0.25 1.23 0.09 0.00 0.00 178.44 180.53 2d22 h GLY 506 N 0.11 0.54 1.49 0.83 0.00 -1.07 -0.27 103.07 104.70 2d22 h GLY 506 Ca 0.08 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 2d22 h GLY 506 CO -0.11 0.20 -0.08 0.00 0.00 0.00 0.00 176.54 176.55 2d22 h ALA 507 N 1.13 1.18 -0.36 3.60 0.00 -1.80 -0.67 119.26 122.34 2d22 h ALA 507 Ca 0.14 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2d22 h ALA 507 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2d22 h ALA 507 CO -0.03 0.53 -0.21 0.00 0.00 0.00 0.00 179.25 179.54 2d22 h ALA 508 N 1.34 0.51 -0.45 0.00 0.00 -0.88 -2.79 119.26 116.98 2d22 h ALA 508 Ca 0.11 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2d22 h ALA 508 Cb 0.49 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2d22 h ALA 508 CO 0.03 0.47 0.10 0.00 0.00 0.00 0.00 179.25 179.84 2d22 h ALA 509 N 0.78 1.32 0.00 0.00 0.00 -0.74 -1.92 119.26 118.70 2d22 h ALA 509 Ca 0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2d22 h ALA 509 Cb 0.76 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2d22 h ALA 509 CO 0.06 0.48 -0.02 0.00 0.00 0.00 0.00 179.25 179.76 2d22 h ALA 510 N 1.45 1.14 0.00 0.00 0.00 -0.71 -1.05 119.26 120.10 2d22 h ALA 510 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2d22 h ALA 510 Cb 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2d22 h ALA 510 CO -0.00 0.03 0.00 1.04 0.00 0.00 0.00 179.25 180.32 2d22 n GLN 511 N -3.32 0.05 -0.09 0.00 6.02 -0.72 -1.59 117.38 117.72 2d22 n GLN 511 Ca -0.02 0.33 0.06 0.00 -0.01 0.00 0.00 57.00 57.36 2d22 n GLN 511 Cb 0.14 -1.60 0.08 0.00 1.02 0.00 0.00 30.24 29.89 2d22 n GLN 511 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2d22 n SER 512 N -1.70 1.92 -0.43 1.08 3.41 -0.50 -4.97 113.62 112.44 2d22 n SER 512 Ca 0.03 -2.62 -0.06 0.00 -0.26 0.00 0.00 58.87 55.96 2d22 n SER 512 Cb 0.16 -0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 63.80 2d22 n SER 512 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d22 n GLY 513 N -1.00 0.81 3.81 5.00 0.00 -0.62 -5.02 105.19 108.16 2d22 n GLY 513 Ca 0.10 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 2d22 n GLY 513 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2d22 s ARG 514 N -2.30 2.24 0.32 1.61 0.52 -0.59 -4.96 118.95 115.80 2d22 s ARG 514 Ca 0.00 -2.02 0.10 0.00 -0.52 0.00 0.00 55.73 53.29 2d22 s ARG 514 Cb 0.00 -1.94 -0.06 0.00 0.52 0.00 0.00 34.95 33.48 2d22 s ARG 514 CO 0.00 -0.35 -0.13 1.52 0.02 0.00 0.00 175.30 176.36 2d22 s TYR 515 N -2.72 2.35 -0.15 -0.53 -0.85 -1.13 -2.31 117.35 112.01 2d22 s TYR 515 Ca 0.31 -0.45 -0.02 0.00 -0.52 0.00 0.00 57.07 56.39 2d22 s TYR 515 Cb 0.01 -1.23 0.05 0.00 0.38 0.00 0.00 41.96 41.16 2d22 s TYR 515 CO 0.18 0.62 0.03 0.12 -1.52 0.00 0.00 175.55 174.98 2d22 s PHE 516 N -2.59 0.85 0.35 -3.49 2.19 -1.26 -2.11 117.98 111.93 2d22 s PHE 516 Ca 0.31 -0.58 0.00 0.00 0.33 0.00 0.00 56.93 57.00 2d22 s PHE 516 Cb -0.00 -0.93 0.00 0.00 -1.31 0.00 0.00 43.02 40.78 2d22 s PHE 516 CO 0.16 -0.50 0.03 0.41 1.83 0.00 0.00 175.22 177.15 2d22 n GLY 517 N 5.10 3.66 3.41 13.12 0.00 0.80 -1.81 105.19 129.47 2d22 n GLY 517 Ca -0.08 -2.31 -0.12 0.00 0.00 0.00 0.00 46.02 43.51 2d22 n GLY 517 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2d22 s THR 518 N -2.20 0.00 -0.19 2.61 -1.32 -0.88 -1.20 115.64 112.46 2d22 s THR 518 Ca 0.02 -1.70 -0.12 0.00 -1.21 0.00 0.00 61.69 58.69 2d22 s THR 518 Cb -0.00 -2.41 -0.05 0.00 -1.51 0.00 0.00 72.50 68.53 2d22 s THR 518 CO 0.02 0.00 0.21 0.00 -2.21 0.00 0.00 174.62 172.63 2d22 s ALA 519 N -3.87 3.64 -0.12 11.08 0.00 -1.09 -1.54 121.76 129.86 2d22 s ALA 519 Ca 0.31 -0.61 -0.02 0.00 0.00 0.00 0.00 51.96 51.64 2d22 s ALA 519 Cb 0.02 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 2d22 s ALA 519 CO 0.13 0.08 -0.03 0.42 0.00 0.00 0.00 175.76 176.37 2d22 s ILE 520 N 0.51 4.02 -0.23 0.00 -1.09 0.26 -4.19 121.20 120.48 2d22 s ILE 520 Ca 0.12 -0.33 -0.07 0.00 -2.23 0.00 0.00 60.65 58.13 2d22 s ILE 520 Cb -0.12 -2.72 -0.03 0.00 -1.58 0.00 0.00 42.46 38.01 2d22 s ILE 520 CO 0.01 0.55 0.06 0.00 -1.23 0.00 0.00 174.94 174.33 2d22 s ALA 521 N -0.25 3.19 0.32 9.38 0.00 -1.26 -0.99 121.76 132.15 2d22 s ALA 521 Ca 0.05 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 51.01 2d22 s ALA 521 Cb -0.13 -2.02 0.69 0.00 0.00 0.00 0.00 23.12 21.66 2d22 s ALA 521 CO 0.02 -0.33 1.86 0.66 0.00 0.00 0.00 175.76 177.97 2d22 h SER 522 N 7.88 0.79 0.43 0.00 4.64 -1.97 -1.39 113.55 123.93 2d22 h SER 522 Ca -0.37 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2d22 h SER 522 Cb 1.18 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2d22 h SER 522 CO 0.60 0.42 0.00 0.61 -0.87 0.00 0.00 176.83 177.58 2d22 n GLY 523 N -1.39 -0.93 0.54 -0.77 0.00 -1.26 -2.45 105.19 98.92 2d22 n GLY 523 Ca 0.18 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.22 2d22 n GLY 523 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2d22 n LYS 524 N -1.43 1.54 0.04 1.61 5.02 -0.53 -4.48 118.16 119.93 2d22 n LYS 524 Ca 0.05 -1.19 0.07 0.00 -2.02 0.00 0.00 58.31 55.22 2d22 n LYS 524 Cb 0.16 -1.31 0.33 0.00 -0.02 0.00 0.00 35.03 34.18 2d22 n LYS 524 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2d22 n LEU 525 N 0.44 0.17 -0.29 -0.35 4.77 -1.03 -1.58 117.00 119.14 2d22 n LEU 525 Ca 0.09 0.55 0.14 0.00 -0.03 0.00 0.00 56.01 56.75 2d22 n LEU 525 Cb 0.39 -0.53 0.50 0.00 -2.33 0.00 0.00 43.42 41.46 2d22 n LEU 525 CO 0.16 -0.37 0.79 0.61 -1.33 0.00 0.00 177.39 177.25 2d22 n GLY 526 N -0.22 -0.48 3.49 -0.72 0.00 -1.26 -4.75 105.19 101.25 2d22 n GLY 526 Ca 0.03 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 2d22 n GLY 526 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2d22 s ASP 527 N -2.29 6.28 0.34 1.61 -1.08 -0.61 -4.96 116.67 115.96 2d22 s ASP 527 Ca 0.31 -0.60 0.04 0.00 -0.52 0.00 0.00 52.55 51.78 2d22 s ASP 527 Cb 0.20 -2.34 0.68 0.00 -1.46 0.00 0.00 42.92 39.99 2d22 s ASP 527 CO 0.44 -0.98 1.92 0.28 0.52 0.00 0.00 175.17 177.36 2d22 h SER 528 N 9.07 0.75 -0.60 -0.34 0.02 -1.86 -1.48 113.55 119.11 2d22 h SER 528 Ca -0.27 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.63 2d22 h SER 528 Cb 1.09 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 2d22 h SER 528 CO 0.99 0.47 0.11 0.00 -1.14 0.00 0.00 176.83 177.26 2d22 h ALA 529 N 1.57 0.79 0.38 3.77 0.00 -1.95 -1.05 119.26 122.76 2d22 h ALA 529 Ca 0.37 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2d22 h ALA 529 Cb 0.32 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2d22 h ALA 529 CO -0.14 0.53 -0.18 -0.92 0.00 0.00 0.00 179.25 178.54 2d22 h TYR 530 N 0.88 -0.47 -0.13 0.00 3.20 -1.66 -2.90 116.97 115.90 2d22 h TYR 530 Ca 0.18 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.97 2d22 h TYR 530 Cb 0.40 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 2d22 h TYR 530 CO 0.03 -0.23 -0.27 1.79 -1.64 0.00 0.00 178.16 177.85 2d22 h THR 531 N -0.63 1.24 -0.29 1.81 1.35 -1.28 -1.04 112.91 114.07 2d22 h THR 531 Ca -0.05 -1.14 -0.01 0.00 -0.55 0.00 0.00 66.41 64.66 2d22 h THR 531 Cb 0.46 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.31 2d22 h THR 531 CO 0.09 0.35 0.16 0.74 -0.25 0.00 0.00 175.52 176.60 2d22 h THR 532 N 0.21 1.13 -0.02 6.82 2.02 -1.16 0.84 112.91 122.75 2d22 h THR 532 Ca 0.03 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 2d22 h THR 532 Cb 0.59 0.83 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2d22 h THR 532 CO 0.04 0.13 -0.00 0.40 0.37 0.00 0.00 175.52 176.46 2d22 h ILE 533 N 0.35 1.28 -0.62 3.11 2.04 -1.30 -2.67 117.51 119.70 2d22 h ILE 533 Ca 0.10 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.14 2d22 h ILE 533 Cb 0.07 1.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2d22 h ILE 533 CO -0.02 0.22 0.41 0.00 0.00 0.00 0.00 178.15 178.76 2d22 h ALA 534 N 0.66 0.78 -0.31 1.87 0.00 -1.10 -1.03 119.26 120.14 2d22 h ALA 534 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 2d22 h ALA 534 Cb 0.35 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2d22 h ALA 534 CO 0.00 0.21 -0.29 1.03 0.00 0.00 0.00 179.25 180.20 2d22 h SER 535 N 0.83 0.66 -0.14 0.00 0.87 -0.89 -3.02 113.55 111.85 2d22 h SER 535 Ca 0.23 -0.25 -0.13 0.00 -1.23 0.00 0.00 61.79 60.40 2d22 h SER 535 Cb -0.09 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.69 2d22 h SER 535 CO -0.05 0.91 -0.44 -0.09 -0.53 0.00 0.00 176.83 176.64 2d22 h ARG 536 N 0.55 0.55 0.00 2.24 2.43 -1.16 -3.38 114.38 115.61 2d22 h ARG 536 Ca 0.07 -0.40 -0.08 0.00 -0.81 0.00 0.00 59.98 58.76 2d22 h ARG 536 Cb 0.78 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 2d22 h ARG 536 CO 0.06 1.02 -1.14 0.93 -1.51 0.00 0.00 179.97 179.33 2d22 h GLU 537 N 0.18 0.00 -6.74 0.20 4.39 -1.26 -3.45 114.58 107.91 2d22 h GLU 537 Ca -0.01 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 59.00 2d22 h GLU 537 Cb 1.06 0.00 -0.24 0.00 -0.10 0.00 0.00 28.75 29.47 2d22 h GLU 537 CO 0.09 0.14 -0.86 -0.06 -1.16 0.00 0.00 179.01 177.17 2d22 s PHE 538 N -3.15 2.38 -0.20 4.33 0.08 -1.14 -0.59 117.98 119.68 2d22 s PHE 538 Ca -0.01 -0.36 0.09 0.00 0.12 0.00 0.00 56.93 56.77 2d22 s PHE 538 Cb 0.09 -1.38 0.20 0.00 -0.57 0.00 0.00 43.02 41.36 2d22 s PHE 538 CO 0.80 0.21 1.14 0.27 -0.10 0.00 0.00 175.22 177.53 2d22 n ASN 539 N 1.50 2.48 -3.79 1.36 0.23 -0.75 -4.83 115.26 111.46 2d22 n ASN 539 Ca -0.17 -2.46 -0.13 0.00 -0.53 0.00 0.00 54.58 51.30 2d22 n ASN 539 Cb 0.52 -0.23 -0.12 0.00 -2.08 0.00 0.00 39.78 37.86 2d22 n ASN 539 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 2d22 s MET 540 N -1.80 0.21 -0.02 -3.83 0.00 -1.24 -2.03 119.30 110.58 2d22 s MET 540 Ca 0.18 0.30 0.04 0.00 0.00 0.00 0.00 55.69 56.22 2d22 s MET 540 Cb 0.15 0.06 -0.01 0.00 0.00 0.00 0.00 34.83 35.03 2d22 s MET 540 CO 0.04 -0.05 -0.14 0.08 0.00 0.00 0.00 175.02 174.95 2d22 s VAL 541 N 0.32 1.13 -0.07 10.11 1.01 -0.23 -2.08 120.40 130.60 2d22 s VAL 541 Ca -0.02 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.42 2d22 s VAL 541 Cb -0.03 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2d22 s VAL 541 CO -0.01 0.33 -0.20 -0.89 0.00 0.00 0.00 175.10 174.32 2d22 s THR 542 N -0.13 1.75 -0.01 3.92 2.01 -0.59 -0.83 115.64 121.77 2d22 s THR 542 Ca 0.01 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 60.85 2d22 s THR 542 Cb -0.08 -1.52 -0.05 0.00 0.01 0.00 0.00 72.50 70.87 2d22 s THR 542 CO 0.00 0.49 1.28 0.00 -0.69 0.00 0.00 174.62 175.70 2d22 s ALA 543 N 0.26 3.51 0.31 7.40 0.00 -1.26 -0.57 121.76 131.41 2d22 s ALA 543 Ca -0.12 0.77 -0.01 0.00 0.00 0.00 0.00 51.96 52.60 2d22 s ALA 543 Cb -0.16 -3.53 0.50 0.00 0.00 0.00 0.00 23.12 19.94 2d22 s ALA 543 CO 0.06 -0.75 1.98 1.49 0.00 0.00 0.00 175.76 178.53 2d22 h GLU 544 N 7.45 1.00 0.00 0.00 4.81 -1.38 -3.40 114.58 123.06 2d22 h GLU 544 Ca -0.37 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 2d22 h GLU 544 Cb 1.18 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.33 2d22 h GLU 544 CO 0.88 0.67 0.00 0.09 -0.73 0.00 0.00 179.01 179.91 2d22 n ASN 545 N -4.42 0.00 0.23 1.04 3.02 -1.26 -4.95 115.26 108.92 2d22 n ASN 545 Ca 0.08 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.79 2d22 n ASN 545 Cb 0.03 0.00 0.80 0.00 -0.61 0.00 0.00 39.78 40.01 2d22 n ASN 545 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2d22 h GLU 546 N 0.00 0.00 -0.27 3.52 3.07 -1.90 -2.60 114.58 116.40 2d22 h GLU 546 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2d22 h GLU 546 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2d22 h GLU 546 CO 0.00 0.00 0.00 -1.33 -1.40 0.00 0.00 179.01 176.28 2d22 n MET 547 N -2.60 2.86 -1.54 2.33 2.81 -1.26 -3.24 117.12 116.48 2d22 n MET 547 Ca -0.01 -2.11 -0.29 0.00 -1.81 0.00 0.00 57.70 53.47 2d22 n MET 547 Cb 0.09 -1.33 0.17 0.00 -0.71 0.00 0.00 33.22 31.45 2d22 n MET 547 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2d22 s LYS 548 N -1.34 0.44 0.13 0.03 1.02 -0.98 -3.65 119.74 115.39 2d22 s LYS 548 Ca 0.23 0.01 -0.18 0.00 0.02 0.00 0.00 55.97 56.05 2d22 s LYS 548 Cb 0.14 -1.78 -0.03 0.00 -0.52 0.00 0.00 37.83 35.63 2d22 s LYS 548 CO 0.12 -2.62 1.75 0.82 -0.92 0.00 0.00 175.35 174.51 2d22 h ILE 549 N -1.79 1.11 -0.04 2.17 2.04 -1.77 -1.92 117.51 117.30 2d22 h ILE 549 Ca -0.47 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.05 2d22 h ILE 549 Cb 1.30 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 2d22 h ILE 549 CO 0.49 0.11 -0.33 -2.24 0.00 0.00 0.00 178.15 176.17 2d22 h ASP 550 N 0.38 0.08 1.27 1.72 2.03 -1.82 -1.30 116.42 118.78 2d22 h ASP 550 Ca 0.11 -0.03 -0.14 0.00 -0.73 0.00 0.00 57.03 56.24 2d22 h ASP 550 Cb 0.02 -0.02 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 2d22 h ASP 550 CO -0.02 0.41 -0.65 0.00 -1.03 0.00 0.00 179.24 177.95 2d22 h ALA 551 N 1.60 0.60 0.00 4.15 0.00 -1.78 -3.31 119.26 120.52 2d22 h ALA 551 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2d22 h ALA 551 Cb 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2d22 h ALA 551 CO 0.05 0.82 -1.66 0.25 0.00 0.00 0.00 179.25 178.70 2d22 n THR 552 N -3.30 0.00 -3.18 0.00 -2.24 -0.74 -4.65 114.28 100.17 2d22 n THR 552 Ca 0.01 -0.35 -0.22 0.00 -2.27 0.00 0.00 64.05 61.22 2d22 n THR 552 Cb 0.78 0.30 -0.06 0.00 -2.10 0.00 0.00 70.33 69.24 2d22 n THR 552 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2d22 n GLU 553 N -2.01 0.57 0.23 -0.78 2.13 -0.50 -0.63 120.64 119.65 2d22 n GLU 553 Ca -0.02 -3.00 0.13 0.00 0.66 0.00 0.00 57.16 54.93 2d22 n GLU 553 Cb 0.47 -1.37 0.76 0.00 0.27 0.00 0.00 31.44 31.56 2d22 n GLU 553 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2d22 h PRO 554 N 4.49 0.00 -4.73 5.31 0.13 -1.64 -3.42 132.00 132.14 2d22 h PRO 554 Ca 0.10 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.92 2d22 h PRO 554 Cb 0.91 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 31.83 2d22 h PRO 554 CO 0.40 0.00 -0.75 -0.65 -0.23 0.00 0.00 178.00 176.78 2d22 s GLN 555 N -4.87 0.59 -0.04 0.86 -1.52 -1.25 -4.86 119.66 108.58 2d22 s GLN 555 Ca -0.05 -0.76 -0.33 0.00 -1.95 0.00 0.00 55.36 52.27 2d22 s GLN 555 Cb 0.16 -0.43 -0.11 0.00 -0.22 0.00 0.00 33.01 32.42 2d22 s GLN 555 CO 0.62 0.09 1.90 -2.13 -0.25 0.00 0.00 175.29 175.52 2d22 n ARG 556 N 1.53 2.40 -0.30 2.91 0.63 -1.26 -1.04 116.66 121.53 2d22 n ARG 556 Ca -0.22 0.88 0.00 0.00 -0.92 0.00 0.00 57.85 57.59 2d22 n ARG 556 Cb 0.55 -2.75 0.00 0.00 0.45 0.00 0.00 32.46 30.70 2d22 n ARG 556 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2d22 n GLY 557 N 4.41 1.78 3.21 5.14 0.00 -1.26 -4.99 105.19 113.48 2d22 n GLY 557 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 2d22 n GLY 557 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2d22 s GLN 558 N -0.22 2.39 0.24 1.61 0.74 -0.20 -5.08 119.66 119.13 2d22 s GLN 558 Ca 0.00 -1.54 -0.15 0.00 0.05 0.00 0.00 55.36 53.72 2d22 s GLN 558 Cb 0.00 -3.62 -0.08 0.00 1.10 0.00 0.00 33.01 30.41 2d22 s GLN 558 CO 0.00 -0.94 0.66 -0.06 -0.55 0.00 0.00 175.29 174.40 2d22 s PHE 559 N 1.31 3.51 -0.06 1.67 0.08 -1.26 -3.53 117.98 119.70 2d22 s PHE 559 Ca 0.03 1.17 -0.03 0.00 0.12 0.00 0.00 56.93 58.23 2d22 s PHE 559 Cb -0.22 -2.47 0.04 0.00 -0.57 0.00 0.00 43.02 39.79 2d22 s PHE 559 CO -0.00 0.27 0.09 1.21 -0.10 0.00 0.00 175.22 176.68 2d22 s ASN 560 N -1.98 1.17 -0.15 1.36 3.84 0.20 -4.96 114.94 114.41 2d22 s ASN 560 Ca 0.46 0.07 0.17 0.00 0.21 0.00 0.00 52.86 53.77 2d22 s ASN 560 Cb -0.13 -0.05 0.42 0.00 -0.55 0.00 0.00 41.25 40.94 2d22 s ASN 560 CO 0.19 -0.26 1.31 0.49 -2.79 0.00 0.00 177.10 176.05 2d22 n PHE 561 N 5.30 0.57 -0.28 0.43 3.72 -1.26 -4.09 117.46 121.85 2d22 n PHE 561 Ca -0.04 -0.90 -0.01 0.00 -0.05 0.00 0.00 57.45 56.45 2d22 n PHE 561 Cb 0.50 -0.24 0.17 0.00 -0.94 0.00 0.00 39.48 38.97 2d22 n PHE 561 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2d22 h SER 562 N 1.12 1.00 0.01 4.37 4.64 -1.95 0.14 113.55 122.87 2d22 h SER 562 Ca 0.00 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2d22 h SER 562 Cb 1.24 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2d22 h SER 562 CO 0.13 0.75 -0.00 0.00 -0.87 0.00 0.00 176.83 176.84 2d22 h ALA 563 N 1.43 -0.01 -0.73 5.18 0.00 -1.86 -3.24 119.26 120.03 2d22 h ALA 563 Ca 0.31 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2d22 h ALA 563 Cb -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2d22 h ALA 563 CO -0.06 -0.06 0.47 0.78 0.00 0.00 0.00 179.25 180.37 2d22 h GLY 564 N -0.90 1.03 2.00 0.00 0.00 -1.51 -2.71 103.07 100.98 2d22 h GLY 564 Ca -0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 2d22 h GLY 564 CO 0.00 0.39 -0.20 -0.55 0.00 0.00 0.00 176.54 176.18 2d22 h ASP 565 N 0.99 0.00 -0.39 0.19 3.32 -0.86 -0.17 116.42 119.49 2d22 h ASP 565 Ca 0.26 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.20 2d22 h ASP 565 Cb -0.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 2d22 h ASP 565 CO -0.05 0.20 -0.17 0.03 -1.72 0.00 0.00 179.24 177.52 2d22 h ARG 566 N 0.00 0.88 -0.08 3.56 3.08 -1.50 0.26 114.38 120.57 2d22 h ARG 566 Ca -0.00 -0.34 -0.08 0.00 0.07 0.00 0.00 59.98 59.64 2d22 h ARG 566 Cb 0.42 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2d22 h ARG 566 CO 0.03 0.98 -0.24 0.28 -1.07 0.00 0.00 179.97 179.94 2d22 h VAL 567 N 0.77 1.41 -0.14 2.04 2.07 -1.38 -2.67 116.25 118.35 2d22 h VAL 567 Ca 0.11 -1.59 0.02 0.00 0.82 0.00 0.00 66.70 66.07 2d22 h VAL 567 Cb 0.70 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 2d22 h VAL 567 CO 0.05 0.46 0.01 0.22 0.02 0.00 0.00 177.57 178.32 2d22 h TYR 568 N -0.16 0.00 -0.67 1.57 3.20 -0.91 -1.05 116.97 118.95 2d22 h TYR 568 Ca -0.01 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.92 2d22 h TYR 568 Cb 0.86 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 39.10 2d22 h TYR 568 CO 0.12 -0.01 0.39 -0.91 -1.64 0.00 0.00 178.16 176.11 2d22 h ASN 569 N 0.06 0.61 -0.56 -2.11 2.35 -0.53 -1.37 115.58 114.02 2d22 h ASN 569 Ca 0.07 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 2d22 h ASN 569 Cb 0.07 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 2d22 h ASN 569 CO -0.11 0.41 0.25 -0.25 -1.65 0.00 0.00 177.43 176.08 2d22 h TRP 570 N 0.74 0.82 0.36 1.19 7.01 -1.15 -0.71 115.95 124.21 2d22 h TRP 570 Ca 0.29 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.22 2d22 h TRP 570 Cb 0.12 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 26.92 2d22 h TRP 570 CO -0.06 0.65 -0.20 0.00 -2.79 0.00 0.00 178.44 176.03 2d22 h ALA 571 N 1.09 -0.53 -0.45 2.65 0.00 -0.50 -2.06 119.26 119.46 2d22 h ALA 571 Ca 0.19 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2d22 h ALA 571 Cb 0.15 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2d22 h ALA 571 CO -0.02 -0.80 -0.06 -0.39 0.00 0.00 0.00 179.25 177.97 2d22 h VAL 572 N -0.53 1.25 0.00 0.00 -1.51 -1.22 0.43 116.25 114.66 2d22 h VAL 572 Ca -0.04 -1.10 -0.01 0.00 -1.23 0.00 0.00 66.70 64.31 2d22 h VAL 572 Cb 0.43 0.97 -0.00 0.00 -2.13 0.00 0.00 31.29 30.56 2d22 h VAL 572 CO 0.06 0.38 -0.07 -0.61 -1.23 0.00 0.00 177.57 176.10 2d22 h GLN 573 N 0.72 0.00 -0.52 5.19 5.75 -1.00 -2.27 115.11 122.98 2d22 h GLN 573 Ca 0.13 0.00 -0.14 0.00 -0.15 0.00 0.00 58.65 58.49 2d22 h GLN 573 Cb 0.53 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 29.00 2d22 h GLN 573 CO 0.03 0.07 0.12 0.09 -2.65 0.00 0.00 178.83 176.48 2d22 n ASN 574 N -4.19 4.16 -1.11 -0.69 4.13 -0.79 -4.97 115.26 111.80 2d22 n ASN 574 Ca -0.03 -3.25 -0.12 0.00 1.68 0.00 0.00 54.58 52.86 2d22 n ASN 574 Cb 0.15 -0.66 -0.03 0.00 -1.54 0.00 0.00 39.78 37.69 2d22 n ASN 574 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2d22 n GLY 575 N -0.42 0.72 3.76 7.41 0.00 -0.85 -5.02 105.19 110.79 2d22 n GLY 575 Ca 0.33 -0.43 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 2d22 n GLY 575 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d22 s LYS 576 N -3.67 2.82 0.73 1.61 3.01 0.08 -4.90 119.74 119.41 2d22 s LYS 576 Ca 0.00 -0.79 -0.04 0.00 -1.01 0.00 0.00 55.97 54.13 2d22 s LYS 576 Cb 0.00 -2.66 0.11 0.00 -1.01 0.00 0.00 37.83 34.27 2d22 s LYS 576 CO 0.00 0.53 1.01 -0.65 0.51 0.00 0.00 175.35 176.75 2d22 s GLN 577 N -2.64 1.78 -0.01 1.68 -0.21 -0.86 -3.94 119.66 115.46 2d22 s GLN 577 Ca 0.29 -0.76 0.03 0.00 0.02 0.00 0.00 55.36 54.94 2d22 s GLN 577 Cb -0.11 -2.25 -0.01 0.00 1.00 0.00 0.00 33.01 31.64 2d22 s GLN 577 CO 0.22 -1.43 -0.10 0.08 -2.12 0.00 0.00 175.29 171.94 2d22 s VAL 578 N -3.22 0.80 -0.23 1.09 1.01 -1.26 -1.07 120.40 117.52 2d22 s VAL 578 Ca 0.65 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 62.14 2d22 s VAL 578 Cb -0.07 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 2d22 s VAL 578 CO 0.45 0.23 0.06 -0.13 0.00 0.00 0.00 175.10 175.71 2d22 s ARG 579 N -0.16 3.73 0.10 2.72 0.52 -0.01 -1.62 118.95 124.23 2d22 s ARG 579 Ca 0.03 -0.45 -0.17 0.00 -0.52 0.00 0.00 55.73 54.61 2d22 s ARG 579 Cb -0.05 -3.28 -0.07 0.00 0.52 0.00 0.00 34.95 32.08 2d22 s ARG 579 CO -0.00 -0.06 0.55 0.20 0.02 0.00 0.00 175.30 176.01 2d22 s GLY 580 N 1.26 2.58 -0.28 -3.53 0.00 0.12 -4.10 107.32 103.38 2d22 s GLY 580 Ca 0.05 -0.04 -0.24 0.00 0.00 0.00 0.00 44.72 44.49 2d22 s GLY 580 CO 0.03 0.33 0.87 -2.38 0.00 0.00 0.00 173.10 171.95 2d22 s HIS 581 N -1.24 -0.65 0.03 1.90 -0.00 -1.26 -0.56 115.29 113.50 2d22 s HIS 581 Ca 0.32 1.57 0.05 0.00 -0.00 0.00 0.00 55.06 57.00 2d22 s HIS 581 Cb -0.18 0.33 -0.02 0.00 -0.00 0.00 0.00 32.58 32.71 2d22 s HIS 581 CO 0.19 -0.32 -0.14 0.99 -0.00 0.00 0.00 174.74 175.46 2d22 s THR 582 N 0.40 1.14 0.06 -5.38 2.01 -1.24 -3.41 115.64 109.23 2d22 s THR 582 Ca 0.01 -0.91 -0.07 0.00 0.31 0.00 0.00 61.69 61.03 2d22 s THR 582 Cb -0.05 -1.01 -0.30 0.00 0.01 0.00 0.00 72.50 71.15 2d22 s THR 582 CO -0.04 0.10 1.09 -0.07 -0.69 0.00 0.00 174.62 175.01 2d22 h LEU 583 N 5.15 0.53 -6.81 4.42 3.38 -1.45 -3.35 115.31 117.18 2d22 h LEU 583 Ca -0.37 -0.57 -0.30 0.00 0.09 0.00 0.00 57.88 56.73 2d22 h LEU 583 Cb 1.17 -0.17 -0.35 0.00 0.09 0.00 0.00 40.66 41.40 2d22 h LEU 583 CO 0.45 1.45 -0.61 0.00 0.09 0.00 0.00 178.44 179.82 2d22 s ALA 584 N -2.64 -0.35 0.24 1.53 0.00 0.32 -4.71 121.76 116.15 2d22 s ALA 584 Ca -0.05 0.38 -0.22 0.00 0.00 0.00 0.00 51.96 52.06 2d22 s ALA 584 Cb 0.06 -1.30 0.03 0.00 0.00 0.00 0.00 23.12 21.91 2d22 s ALA 584 CO 0.90 -1.14 0.79 1.67 0.00 0.00 0.00 175.76 177.98 2d22 s TRP 585 N 2.35 -0.17 0.01 0.00 1.48 -1.26 -3.32 118.94 118.02 2d22 s TRP 585 Ca 0.07 -0.24 0.23 0.00 -1.06 0.00 0.00 56.10 55.10 2d22 s TRP 585 Cb -0.15 0.69 0.74 0.00 -1.16 0.00 0.00 33.47 33.59 2d22 s TRP 585 CO -0.12 -1.12 1.75 1.12 -4.06 0.00 0.00 176.95 174.52 2d22 h HIS 586 N 2.00 0.00 -3.05 1.66 2.07 -1.89 -3.45 115.15 112.49 2d22 h HIS 586 Ca -0.21 0.00 -0.54 0.00 -2.85 0.00 0.00 60.37 56.77 2d22 h HIS 586 Cb 1.24 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.20 2d22 h HIS 586 CO 0.42 0.23 -0.27 0.45 -3.07 0.00 0.00 177.93 175.68 2d22 s SER 587 N -6.19 6.44 -1.52 3.10 0.15 -1.26 -4.42 113.70 110.00 2d22 s SER 587 Ca 0.02 0.55 -0.13 0.00 0.70 0.00 0.00 55.95 57.09 2d22 s SER 587 Cb 0.09 -2.07 0.09 0.00 -1.71 0.00 0.00 66.02 62.42 2d22 s SER 587 CO 0.65 -0.06 0.86 0.00 1.20 0.00 0.00 173.24 175.89 2d22 n GLN 588 N -0.50 -4.82 -2.89 5.44 6.02 -1.26 -4.86 117.38 114.51 2d22 n GLN 588 Ca -0.03 0.56 -0.36 0.00 -0.01 0.00 0.00 57.00 57.16 2d22 n GLN 588 Cb 0.53 -5.40 -0.06 0.00 1.02 0.00 0.00 30.24 26.32 2d22 n GLN 588 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2d22 s GLN 589 N -6.52 4.44 0.67 -1.09 -0.21 -1.26 -2.96 119.66 112.72 2d22 s GLN 589 Ca 0.62 1.16 -0.14 0.00 0.02 0.00 0.00 55.36 57.02 2d22 s GLN 589 Cb -0.32 -2.75 0.00 0.00 1.00 0.00 0.00 33.01 30.95 2d22 s GLN 589 CO 0.76 0.28 1.10 -1.25 -2.12 0.00 0.00 175.29 174.06 2d22 s PRO 590 N -2.17 2.81 0.28 2.91 0.04 -1.26 -4.77 135.00 132.84 2d22 s PRO 590 Ca 0.49 1.31 0.02 0.00 0.04 0.00 0.00 61.00 62.86 2d22 s PRO 590 Cb -0.17 -1.96 0.65 0.00 0.04 0.00 0.00 34.50 33.07 2d22 s PRO 590 CO 0.22 -1.23 1.71 0.78 0.04 0.00 0.00 177.00 178.52 2d22 h GLY 591 N -0.10 1.44 2.00 0.56 0.00 -1.96 -0.56 103.07 104.46 2d22 h GLY 591 Ca -0.46 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 2d22 h GLY 591 CO 0.54 -0.20 -0.05 0.11 0.00 0.00 0.00 176.54 176.94 2d22 h TRP 592 N 0.44 0.00 0.06 5.60 5.08 -1.91 -2.22 115.95 123.00 2d22 h TRP 592 Ca 0.52 0.00 -0.29 0.00 1.08 0.00 0.00 58.89 60.20 2d22 h TRP 592 Cb 0.92 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.06 2d22 h TRP 592 CO -0.14 0.05 -1.51 1.98 -1.28 0.00 0.00 178.44 177.54 2d22 h MET 593 N 0.00 0.13 0.00 0.12 4.05 -1.48 -3.28 114.93 114.47 2d22 h MET 593 Ca -0.00 -0.22 -0.01 0.00 -0.28 0.00 0.00 59.70 59.19 2d22 h MET 593 Cb 0.11 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 30.98 2d22 h MET 593 CO 0.01 0.91 -0.05 1.96 0.23 0.00 0.00 176.91 179.97 2d22 h GLN 594 N 0.03 0.00 0.00 0.39 4.20 -0.79 -0.93 115.11 118.01 2d22 h GLN 594 Ca -0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.49 2d22 h GLN 594 Cb 1.97 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.75 2d22 h GLN 594 CO 0.13 0.05 0.00 0.43 -0.67 0.00 0.00 178.83 178.77 2d22 n SER 595 N -4.36 0.00 -4.91 1.46 7.64 -0.93 -4.87 113.62 107.65 2d22 n SER 595 Ca -0.03 0.10 -0.29 0.00 1.01 0.00 0.00 58.87 59.67 2d22 n SER 595 Cb 0.13 -0.36 -0.04 0.00 -1.01 0.00 0.00 64.21 62.94 2d22 n SER 595 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2d22 s LEU 596 N -2.72 4.18 0.27 -3.43 1.43 -0.36 -5.10 118.68 112.95 2d22 s LEU 596 Ca 0.22 0.56 -0.15 0.00 -1.03 0.00 0.00 54.13 53.73 2d22 s LEU 596 Cb 0.19 -3.34 0.01 0.00 0.03 0.00 0.00 46.19 43.08 2d22 s LEU 596 CO 0.45 -0.07 0.57 -0.94 0.23 0.00 0.00 176.35 176.59 2d22 s SER 597 N -2.98 -0.08 0.76 2.29 1.04 -1.26 -4.81 113.70 108.67 2d22 s SER 597 Ca 0.41 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.96 2d22 s SER 597 Cb -0.11 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.66 2d22 s SER 597 CO 0.28 -1.25 0.00 0.61 0.98 0.00 0.00 173.24 173.86 2d22 n GLY 598 N -0.43 1.09 0.32 7.32 0.00 -1.26 -2.45 105.19 109.78 2d22 n GLY 598 Ca -0.03 -0.58 0.11 0.00 0.00 0.00 0.00 46.02 45.52 2d22 n GLY 598 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2d22 h SER 599 N 6.93 0.19 -0.57 1.61 4.64 -1.96 -1.11 113.55 123.28 2d22 h SER 599 Ca 0.00 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 2d22 h SER 599 Cb 0.00 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 2d22 h SER 599 CO 0.00 0.13 0.08 0.74 -0.87 0.00 0.00 176.83 176.91 2d22 h THR 600 N 0.22 1.26 -0.32 2.95 2.02 -1.97 -1.35 112.91 115.72 2d22 h THR 600 Ca 0.15 -0.99 -0.14 0.00 0.77 0.00 0.00 66.41 66.20 2d22 h THR 600 Cb 0.34 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2d22 h THR 600 CO -0.03 0.36 -0.36 0.25 0.37 0.00 0.00 175.52 176.12 2d22 h LEU 601 N 0.84 0.86 -0.53 2.58 5.85 -1.00 -2.19 115.31 121.73 2d22 h LEU 601 Ca 0.17 -0.48 0.07 0.00 0.84 0.00 0.00 57.88 58.48 2d22 h LEU 601 Cb 0.43 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 2d22 h LEU 601 CO 0.01 1.17 0.21 -0.09 -0.34 0.00 0.00 178.44 179.41 2d22 h ARG 602 N 0.57 0.39 -0.13 1.25 9.65 -0.96 0.14 114.38 125.29 2d22 h ARG 602 Ca 0.04 -0.02 -0.14 0.00 -1.10 0.00 0.00 59.98 58.76 2d22 h ARG 602 Cb 0.95 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.43 2d22 h ARG 602 CO 0.09 0.26 -0.52 0.37 2.80 0.00 0.00 179.97 182.96 2d22 h GLN 603 N 0.40 0.38 -0.47 0.20 5.75 -1.22 -2.26 115.11 117.89 2d22 h GLN 603 Ca 0.26 -0.23 -0.06 0.00 -0.15 0.00 0.00 58.65 58.47 2d22 h GLN 603 Cb 0.26 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 2d22 h GLN 603 CO -0.24 0.81 0.04 0.00 -2.65 0.00 0.00 178.83 176.79 2d22 h ALA 604 N 1.15 1.19 -0.35 3.38 0.00 -0.66 0.15 119.26 124.12 2d22 h ALA 604 Ca 0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2d22 h ALA 604 Cb 1.02 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2d22 h ALA 604 CO 0.09 0.54 0.11 1.98 0.00 0.00 0.00 179.25 181.97 2d22 h MET 605 N 0.71 0.54 -0.15 0.00 1.85 -0.49 -0.16 114.93 117.24 2d22 h MET 605 Ca 0.15 -0.11 -0.01 0.00 -0.61 0.00 0.00 59.70 59.11 2d22 h MET 605 Cb 0.38 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.32 2d22 h MET 605 CO 0.01 0.56 0.06 0.82 -0.40 0.00 0.00 176.91 177.96 2d22 h ILE 606 N 0.41 1.15 -0.88 1.77 2.04 -0.98 -1.91 117.51 119.12 2d22 h ILE 606 Ca 0.11 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.56 2d22 h ILE 606 Cb 0.24 1.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 2d22 h ILE 606 CO -0.00 0.14 0.58 0.44 0.00 0.00 0.00 178.15 179.30 2d22 h ASP 607 N 0.09 0.93 -0.27 1.72 3.32 -0.55 -1.49 116.42 120.17 2d22 h ASP 607 Ca 0.05 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 2d22 h ASP 607 Cb 0.17 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2d22 h ASP 607 CO -0.00 0.63 0.01 -0.74 -1.72 0.00 0.00 179.24 177.42 2d22 h HIS 608 N 1.07 0.51 -0.42 4.55 2.76 -0.78 -1.15 115.15 121.69 2d22 h HIS 608 Ca 0.35 -0.08 0.03 0.00 -2.20 0.00 0.00 60.37 58.47 2d22 h HIS 608 Cb 0.06 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 28.85 2d22 h HIS 608 CO -0.00 0.61 0.22 0.82 -1.30 0.00 0.00 177.93 178.28 2d22 h ILE 609 N 0.26 0.99 -0.63 6.26 2.04 -0.91 -1.68 117.51 123.84 2d22 h ILE 609 Ca 0.08 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 2d22 h ILE 609 Cb 0.40 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 2d22 h ILE 609 CO 0.01 0.08 0.32 0.78 0.00 0.00 0.00 178.15 179.34 2d22 h ASN 610 N 0.45 0.81 -0.20 1.72 2.35 -1.14 -1.31 115.58 118.25 2d22 h ASN 610 Ca 0.18 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 2d22 h ASN 610 Cb 0.06 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 2d22 h ASN 610 CO -0.11 0.69 0.03 1.23 -1.65 0.00 0.00 177.43 177.62 2d22 h GLY 611 N 0.86 0.37 0.69 2.83 0.00 -0.88 -1.17 103.07 105.76 2d22 h GLY 611 Ca 0.22 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 2d22 h GLY 611 CO -0.03 0.23 -0.20 -2.08 0.00 0.00 0.00 176.54 174.46 2d22 h VAL 612 N 0.14 1.39 -0.22 4.60 2.07 -1.29 -2.77 116.25 120.17 2d22 h VAL 612 Ca 0.06 -1.47 -0.07 0.00 0.82 0.00 0.00 66.70 66.04 2d22 h VAL 612 Cb 0.32 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 2d22 h VAL 612 CO 0.00 0.42 -0.17 0.24 0.02 0.00 0.00 177.57 178.09 2d22 h MET 613 N -0.12 0.37 -0.65 1.57 2.07 -1.31 -2.62 114.93 114.24 2d22 h MET 613 Ca 0.00 -0.11 -0.04 0.00 -2.07 0.00 0.00 59.70 57.49 2d22 h MET 613 Cb 0.78 -0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 30.44 2d22 h MET 613 CO 0.04 0.54 0.25 0.78 1.07 0.00 0.00 176.91 179.59 2d22 h GLY 614 N 0.91 1.06 1.17 8.32 0.00 -1.20 0.26 103.07 113.58 2d22 h GLY 614 Ca 0.06 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.77 2d22 h GLY 614 CO 0.03 0.55 0.30 0.84 0.00 0.00 0.00 176.54 178.26 2d22 h HIS 615 N 0.92 1.07 -0.61 5.60 6.17 -1.18 -2.92 115.15 124.21 2d22 h HIS 615 Ca 0.22 -0.07 0.00 0.00 0.71 0.00 0.00 60.37 61.23 2d22 h HIS 615 Cb 0.22 -0.33 0.00 0.00 2.52 0.00 0.00 27.41 29.82 2d22 h HIS 615 CO 0.01 0.81 0.00 0.66 0.71 0.00 0.00 177.93 180.12 2d22 n TYR 616 N -4.30 1.39 -1.66 5.26 4.01 -1.03 -5.02 117.16 115.81 2d22 n TYR 616 Ca 0.07 -0.62 -0.53 0.00 -0.16 0.00 0.00 57.90 56.66 2d22 n TYR 616 Cb 0.17 -0.23 -0.06 0.00 -0.31 0.00 0.00 39.34 38.91 2d22 n TYR 616 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 2d22 n LYS 617 N 0.99 1.42 -0.96 -0.72 4.81 0.87 -1.15 118.16 123.43 2d22 n LYS 617 Ca 0.25 0.52 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 2d22 n LYS 617 Cb 0.86 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 33.69 2d22 n LYS 617 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2d22 n GLY 618 N 3.47 0.83 0.32 3.14 0.00 -1.26 -4.85 105.19 106.83 2d22 n GLY 618 Ca 0.22 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.28 2d22 n GLY 618 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2d22 n LYS 619 N -2.10 1.16 -4.23 1.61 5.02 -0.30 -4.98 118.16 114.35 2d22 n LYS 619 Ca 0.00 -0.87 -0.34 0.00 -2.02 0.00 0.00 58.31 55.08 2d22 n LYS 619 Cb 0.01 -1.13 -0.14 0.00 -0.02 0.00 0.00 35.03 33.74 2d22 n LYS 619 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2d22 s ILE 620 N -1.04 3.23 0.06 -0.18 -1.09 -1.24 -4.61 121.20 116.33 2d22 s ILE 620 Ca 0.10 -0.56 -0.20 0.00 -2.23 0.00 0.00 60.65 57.76 2d22 s ILE 620 Cb 0.08 -2.43 -0.11 0.00 -1.58 0.00 0.00 42.46 38.42 2d22 s ILE 620 CO 0.17 0.47 1.46 0.00 -1.23 0.00 0.00 174.94 175.81 2d22 h ALA 621 N 7.54 0.26 -3.60 9.38 0.00 -1.67 -3.39 119.26 127.78 2d22 h ALA 621 Ca -0.36 -0.24 -0.22 0.00 0.00 0.00 0.00 54.91 54.09 2d22 h ALA 621 Cb 1.18 -0.07 -0.27 0.00 0.00 0.00 0.00 17.79 18.63 2d22 h ALA 621 CO 0.59 0.03 -0.70 -0.65 0.00 0.00 0.00 179.25 178.52 2d22 s GLN 622 N -4.78 0.05 -0.12 0.00 -0.21 -1.23 -1.81 119.66 111.57 2d22 s GLN 622 Ca -0.14 -0.06 0.03 0.00 0.02 0.00 0.00 55.36 55.21 2d22 s GLN 622 Cb 0.06 0.02 0.01 0.00 1.00 0.00 0.00 33.01 34.10 2d22 s GLN 622 CO 0.74 -0.01 -0.22 -1.58 -2.12 0.00 0.00 175.29 172.10 2d22 s TRP 623 N -0.18 2.56 -0.76 0.91 0.52 0.16 0.16 118.94 122.31 2d22 s TRP 623 Ca -0.02 -1.18 -0.24 0.00 0.02 0.00 0.00 56.10 54.68 2d22 s TRP 623 Cb -0.01 -1.73 0.06 0.00 -1.15 0.00 0.00 33.47 30.63 2d22 s TRP 623 CO -0.00 -0.52 1.17 -0.51 0.02 0.00 0.00 176.95 177.11 2d22 s ASP 624 N 0.62 6.24 0.06 2.95 1.01 0.28 -0.39 116.67 127.44 2d22 s ASP 624 Ca -0.12 -0.91 -0.19 0.00 0.71 0.00 0.00 52.55 52.04 2d22 s ASP 624 Cb -0.17 -2.49 -0.11 0.00 1.01 0.00 0.00 42.92 41.16 2d22 s ASP 624 CO 0.03 -1.59 1.41 0.58 0.21 0.00 0.00 175.17 175.81 2d22 h VAL 625 N 6.09 1.31 -3.98 -1.27 2.07 -1.51 -2.46 116.25 116.49 2d22 h VAL 625 Ca -0.19 -1.20 -0.38 0.00 0.82 0.00 0.00 66.70 65.75 2d22 h VAL 625 Cb 1.05 1.66 -0.24 0.00 -1.52 0.00 0.00 31.29 32.25 2d22 h VAL 625 CO 1.25 0.37 -0.77 -0.69 0.02 0.00 0.00 177.57 177.74 2d22 s VAL 626 N -4.52 0.87 0.04 2.57 1.01 -1.25 -0.52 120.40 118.59 2d22 s VAL 626 Ca -0.14 -0.99 -0.09 0.00 0.00 0.00 0.00 61.98 60.76 2d22 s VAL 626 Cb 0.06 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.62 2d22 s VAL 626 CO 0.76 -0.14 0.19 -0.55 0.00 0.00 0.00 175.10 175.36 2d22 s SER 627 N -1.26 0.04 -1.60 3.32 0.15 -1.21 -1.72 113.70 111.41 2d22 s SER 627 Ca -0.02 -0.36 -0.13 0.00 0.70 0.00 0.00 55.95 56.14 2d22 s SER 627 Cb -0.08 0.28 0.11 0.00 -1.71 0.00 0.00 66.02 64.61 2d22 s SER 627 CO 0.01 -0.54 0.70 1.41 1.20 0.00 0.00 173.24 176.02 2d22 n HIS 628 N 0.75 -1.78 1.26 3.44 8.25 -0.00 -4.60 115.22 122.54 2d22 n HIS 628 Ca -0.19 0.80 0.13 0.00 -0.26 0.00 0.00 57.72 58.19 2d22 n HIS 628 Cb 0.59 -3.28 0.39 0.00 1.12 0.00 0.00 29.99 28.81 2d22 n HIS 628 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2d22 n ALA 629 N -4.43 3.04 -2.78 -1.41 0.00 -1.26 -4.85 120.51 108.82 2d22 n ALA 629 Ca -0.04 -0.40 -0.30 0.00 0.00 0.00 0.00 53.44 52.70 2d22 n ALA 629 Cb 0.55 -1.14 -0.06 0.00 0.00 0.00 0.00 19.45 18.80 2d22 n ALA 629 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2d22 s PHE 630 N -2.47 3.19 0.67 0.00 0.40 -1.26 -0.49 117.98 118.01 2d22 s PHE 630 Ca 0.25 0.07 -0.11 0.00 -0.60 0.00 0.00 56.93 56.54 2d22 s PHE 630 Cb 0.19 -1.61 -0.01 0.00 0.51 0.00 0.00 43.02 42.10 2d22 s PHE 630 CO 0.51 0.52 1.05 0.45 0.70 0.00 0.00 175.22 178.45 2d22 s SER 631 N -2.47 5.69 0.00 1.36 0.15 -0.22 -4.43 113.70 113.79 2d22 s SER 631 Ca 0.30 1.46 0.16 0.00 0.70 0.00 0.00 55.95 58.57 2d22 s SER 631 Cb -0.12 -2.39 0.18 0.00 -1.71 0.00 0.00 66.02 61.98 2d22 s SER 631 CO 0.22 -1.22 1.08 0.47 1.20 0.00 0.00 173.24 174.99 2d22 n ASP 632 N -2.97 2.52 0.00 5.45 8.00 -1.26 -4.59 116.55 123.70 2d22 n ASP 632 Ca 0.07 -1.73 0.06 0.00 0.71 0.00 0.00 54.79 53.90 2d22 n ASP 632 Cb 0.54 -0.05 0.38 0.00 -0.02 0.00 0.00 41.12 41.97 2d22 n ASP 632 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2d22 n ASP 633 N 0.94 0.00 0.00 -2.24 5.68 -1.26 -4.83 116.55 114.84 2d22 n ASP 633 Ca 0.11 -0.44 0.00 0.00 -0.50 0.00 0.00 54.79 53.96 2d22 n ASP 633 Cb 0.43 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.41 2d22 n ASP 633 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2d22 n GLY 634 N -0.16 1.04 0.20 6.12 0.00 -1.26 -4.90 105.19 106.23 2d22 n GLY 634 Ca 0.10 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.22 2d22 n GLY 634 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2d22 h SER 635 N 0.00 0.00 -0.03 1.61 4.64 -1.89 -3.44 113.55 114.43 2d22 h SER 635 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2d22 h SER 635 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2d22 h SER 635 CO 0.00 0.11 -0.01 0.61 -0.87 0.00 0.00 176.83 176.66 2d22 n GLY 636 N 1.11 0.47 1.36 -0.77 0.00 -1.26 -4.96 105.19 101.14 2d22 n GLY 636 Ca 0.04 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 2d22 n GLY 636 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d22 n GLY 637 N -2.49 1.61 3.79 -0.02 0.00 -1.26 -4.45 105.19 102.37 2d22 n GLY 637 Ca -0.01 -2.11 -0.36 0.00 0.00 0.00 0.00 46.02 43.54 2d22 n GLY 637 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2d22 s ARG 638 N -3.03 4.42 0.35 1.61 1.81 -1.26 -1.06 118.95 121.79 2d22 s ARG 638 Ca 0.22 1.33 -0.27 0.00 -1.72 0.00 0.00 55.73 55.29 2d22 s ARG 638 Cb -0.02 -2.63 -0.09 0.00 -0.45 0.00 0.00 34.95 31.77 2d22 s ARG 638 CO 0.14 0.12 1.20 0.50 -0.68 0.00 0.00 175.30 176.59 2d22 s ARG 639 N -2.36 4.29 -0.22 3.54 3.52 0.35 -4.36 118.95 123.70 2d22 s ARG 639 Ca 0.54 1.97 -0.27 0.00 -0.13 0.00 0.00 55.73 57.84 2d22 s ARG 639 Cb -0.18 -2.93 0.00 0.00 -1.56 0.00 0.00 34.95 30.28 2d22 s ARG 639 CO 0.23 -0.15 0.93 0.34 -0.81 0.00 0.00 175.30 175.84 2d22 s ASP 640 N -0.85 6.99 0.23 -2.12 2.15 -1.26 -4.71 116.67 117.10 2d22 s ASP 640 Ca 0.51 1.23 -0.14 0.00 0.43 0.00 0.00 52.55 54.58 2d22 s ASP 640 Cb -0.34 -2.49 0.00 0.00 -0.30 0.00 0.00 42.92 39.79 2d22 s ASP 640 CO 0.44 -0.57 0.49 -0.94 -0.17 0.00 0.00 175.17 174.42 2d22 s SER 641 N 1.25 -0.13 0.38 -0.34 1.04 -1.26 -5.01 113.70 109.63 2d22 s SER 641 Ca 0.40 -0.79 0.05 0.00 0.48 0.00 0.00 55.95 56.09 2d22 s SER 641 Cb -0.15 0.58 0.75 0.00 0.10 0.00 0.00 66.02 67.30 2d22 s SER 641 CO 0.08 -1.11 2.02 -0.55 0.98 0.00 0.00 173.24 174.66 2d22 h ASN 642 N 2.25 0.57 -0.11 7.02 -1.07 -1.94 -1.25 115.58 121.05 2d22 h ASN 642 Ca -0.27 -0.02 -0.01 0.00 0.07 0.00 0.00 56.30 56.07 2d22 h ASN 642 Cb 1.25 -0.14 -0.00 0.00 -2.07 0.00 0.00 38.32 37.35 2d22 h ASN 642 CO 0.36 0.43 0.03 -0.07 0.07 0.00 0.00 177.43 178.25 2d22 h LEU 643 N 0.66 0.16 -1.44 6.14 3.38 -1.95 -2.75 115.31 119.52 2d22 h LEU 643 Ca 0.18 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2d22 h LEU 643 Cb -0.04 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2d22 h LEU 643 CO -0.03 0.33 0.09 -0.61 0.09 0.00 0.00 178.44 178.31 2d22 h GLN 644 N -0.02 0.46 0.00 1.13 5.75 -1.73 -1.45 115.11 119.25 2d22 h GLN 644 Ca 0.04 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 2d22 h GLN 644 Cb 0.23 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.70 2d22 h GLN 644 CO -0.00 0.42 0.00 0.54 -2.65 0.00 0.00 178.83 177.14 2d22 n ARG 645 N -4.37 0.04 0.14 1.69 1.74 -0.51 -1.75 116.66 113.63 2d22 n ARG 645 Ca 0.02 0.22 0.13 0.00 -0.77 0.00 0.00 57.85 57.44 2d22 n ARG 645 Cb 0.17 -1.50 0.33 0.00 -1.02 0.00 0.00 32.46 30.44 2d22 n ARG 645 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 2d22 h THR 646 N 0.00 0.00 0.00 0.55 1.35 -1.07 -3.43 112.91 110.31 2d22 h THR 646 Ca 0.00 -0.62 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 2d22 h THR 646 Cb 0.25 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 2d22 h THR 646 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2d22 n GLY 647 N 1.25 4.88 0.33 5.82 0.00 -0.72 -4.87 105.19 111.87 2d22 n GLY 647 Ca 0.05 -1.05 0.18 0.00 0.00 0.00 0.00 46.02 45.20 2d22 n GLY 647 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2d22 h ASN 648 N 0.00 0.00 0.00 1.61 -1.24 -1.91 -1.62 115.58 112.43 2d22 h ASN 648 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2d22 h ASN 648 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2d22 h ASN 648 CO 0.00 0.00 0.00 -0.90 -1.29 0.00 0.00 177.43 175.24 2d22 n ASP 649 N -3.52 0.00 -0.33 1.15 5.75 -1.26 -4.17 116.55 114.18 2d22 n ASP 649 Ca -0.01 -1.32 0.02 0.00 -0.01 0.00 0.00 54.79 53.47 2d22 n ASP 649 Cb 0.20 0.00 0.20 0.00 -1.03 0.00 0.00 41.12 40.49 2d22 n ASP 649 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 2d22 h TRP 650 N 0.00 1.12 -0.18 2.11 5.08 -1.60 -1.07 115.95 121.40 2d22 h TRP 650 Ca 0.00 0.03 -0.02 0.00 1.08 0.00 0.00 58.89 59.97 2d22 h TRP 650 Cb 0.00 -0.37 -0.01 0.00 -3.00 0.00 0.00 29.16 25.78 2d22 h TRP 650 CO 0.00 0.61 0.02 0.82 -1.28 0.00 0.00 178.44 178.61 2d22 h ILE 651 N 1.13 1.24 -0.52 0.12 2.04 -1.85 -0.66 117.51 119.01 2d22 h ILE 651 Ca 0.39 -0.79 0.06 0.00 1.00 0.00 0.00 64.86 65.52 2d22 h ILE 651 Cb 0.11 1.41 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 2d22 h ILE 651 CO -0.14 0.24 0.23 -0.08 0.00 0.00 0.00 178.15 178.40 2d22 h GLU 652 N 0.08 0.43 -0.85 2.37 4.81 -1.74 -1.22 114.58 118.45 2d22 h GLU 652 Ca 0.05 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 2d22 h GLU 652 Cb 0.35 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 2d22 h GLU 652 CO 0.01 0.29 0.41 0.28 -0.73 0.00 0.00 179.01 179.26 2d22 h VAL 653 N 0.45 1.26 -0.52 0.32 2.07 -1.01 -0.56 116.25 118.26 2d22 h VAL 653 Ca 0.24 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 2d22 h VAL 653 Cb 0.20 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 2d22 h VAL 653 CO -0.20 0.32 0.32 0.00 0.02 0.00 0.00 177.57 178.03 2d22 h ALA 654 N 1.22 0.66 -0.46 1.67 0.00 -0.32 -0.32 119.26 121.71 2d22 h ALA 654 Ca 0.29 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 2d22 h ALA 654 Cb 0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2d22 h ALA 654 CO -0.04 0.13 -0.04 0.74 0.00 0.00 0.00 179.25 180.05 2d22 h PHE 655 N 0.70 0.92 -0.82 0.00 0.04 -0.86 -0.47 116.94 116.45 2d22 h PHE 655 Ca 0.19 -0.17 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 2d22 h PHE 655 Cb -0.03 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 37.85 2d22 h PHE 655 CO -0.03 0.89 0.43 0.00 -0.60 0.00 0.00 178.31 179.01 2d22 h ARG 656 N 0.68 1.15 -0.32 1.51 3.08 -0.87 -1.62 114.38 117.99 2d22 h ARG 656 Ca 0.13 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2d22 h ARG 656 Cb 0.55 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 2d22 h ARG 656 CO 0.03 0.86 0.13 1.15 -1.07 0.00 0.00 179.97 181.07 2d22 h THR 657 N 1.14 1.18 -0.63 2.04 2.02 -0.84 -3.02 112.91 114.81 2d22 h THR 657 Ca 0.29 -0.56 0.01 0.00 0.77 0.00 0.00 66.41 66.91 2d22 h THR 657 Cb 0.06 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 2d22 h THR 657 CO -0.04 0.20 0.42 0.00 0.37 0.00 0.00 175.52 176.46 2d22 h ALA 658 N 0.97 0.80 -0.63 6.16 0.00 -0.73 -1.59 119.26 124.24 2d22 h ALA 658 Ca 0.11 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2d22 h ALA 658 Cb 0.19 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2d22 h ALA 658 CO -0.01 0.23 0.37 -0.09 0.00 0.00 0.00 179.25 179.75 2d22 h ARG 659 N 0.86 0.69 -0.28 0.00 9.65 -1.24 -1.63 114.38 122.43 2d22 h ARG 659 Ca 0.23 -0.04 -0.12 0.00 -1.10 0.00 0.00 59.98 58.95 2d22 h ARG 659 Cb -0.10 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.31 2d22 h ARG 659 CO -0.05 0.45 -0.33 0.00 2.80 0.00 0.00 179.97 182.84 2d22 h ALA 660 N 1.30 0.90 -0.40 2.80 0.00 -1.37 -2.41 119.26 120.08 2d22 h ALA 660 Ca 0.27 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 2d22 h ALA 660 Cb 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2d22 h ALA 660 CO -0.14 0.63 -0.16 0.00 0.00 0.00 0.00 179.25 179.58 2d22 h ALA 661 N 1.13 0.98 -1.37 0.00 0.00 -0.68 -3.40 119.26 115.91 2d22 h ALA 661 Ca 0.06 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 2d22 h ALA 661 Cb 0.82 -0.16 -0.23 0.00 0.00 0.00 0.00 17.79 18.22 2d22 h ALA 661 CO 0.07 0.60 -0.55 0.34 0.00 0.00 0.00 179.25 179.71 2d22 s ASP 662 N -6.73 -0.50 0.39 0.00 -1.08 -0.67 -4.66 116.67 103.42 2d22 s ASP 662 Ca -0.09 -1.24 0.27 0.00 -0.52 0.00 0.00 52.55 50.97 2d22 s ASP 662 Cb 0.14 1.40 1.44 0.00 -1.46 0.00 0.00 42.92 44.43 2d22 s ASP 662 CO 0.82 -0.19 1.81 -0.65 0.52 0.00 0.00 175.17 177.49 2d22 h PRO 663 N 6.76 0.00 0.00 4.34 0.11 -1.66 -2.69 132.00 138.86 2d22 h PRO 663 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 2d22 h PRO 663 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2d22 h PRO 663 CO 0.13 0.00 -0.38 0.00 -0.21 0.00 0.00 178.00 177.55 2d22 h ALA 664 N 2.00 0.80 -2.52 -0.75 0.00 -1.95 -3.46 119.26 113.38 2d22 h ALA 664 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 2d22 h ALA 664 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2d22 h ALA 664 CO 0.00 0.00 0.07 0.00 0.00 0.00 0.00 179.25 179.32 2d22 s ALA 665 N -3.24 3.43 0.01 0.00 0.00 -1.02 -4.94 121.76 116.01 2d22 s ALA 665 Ca 0.05 0.10 -0.27 0.00 0.00 0.00 0.00 51.96 51.85 2d22 s ALA 665 Cb 0.08 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 2d22 s ALA 665 CO 0.70 0.35 0.83 0.15 0.00 0.00 0.00 175.76 177.79 2d22 s LYS 666 N -2.09 4.53 -0.27 0.00 1.02 -0.75 -4.92 119.74 117.26 2d22 s LYS 666 Ca 0.43 1.16 -0.12 0.00 0.02 0.00 0.00 55.97 57.47 2d22 s LYS 666 Cb -0.16 -3.41 -0.05 0.00 -0.52 0.00 0.00 37.83 33.69 2d22 s LYS 666 CO 0.20 0.13 0.23 -0.51 -0.92 0.00 0.00 175.35 174.48 2d22 s LEU 667 N 0.46 4.04 0.15 3.17 1.43 -1.26 -0.67 118.68 126.00 2d22 s LEU 667 Ca 0.43 0.10 0.09 0.00 -1.03 0.00 0.00 54.13 53.72 2d22 s LEU 667 Cb -0.20 -2.20 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 2d22 s LEU 667 CO 0.24 -0.06 -0.16 0.00 0.23 0.00 0.00 176.35 176.60 2d22 s TYR 669 N -1.45 3.02 0.02 0.00 5.04 -0.58 -1.31 117.35 122.09 2d22 s TYR 669 Ca 0.21 -0.45 0.07 0.00 -2.44 0.00 0.00 57.07 54.47 2d22 s TYR 669 Cb -0.09 -2.03 -0.03 0.00 0.35 0.00 0.00 41.96 40.15 2d22 s TYR 669 CO 0.12 -0.19 -0.21 1.21 -1.34 0.00 0.00 175.55 175.14 2d22 s ASN 670 N 0.79 3.54 0.27 4.32 2.47 -0.70 -0.05 114.94 125.57 2d22 s ASN 670 Ca -0.00 -0.46 -0.21 0.00 0.42 0.00 0.00 52.86 52.60 2d22 s ASN 670 Cb -0.14 -0.50 0.03 0.00 -1.45 0.00 0.00 41.25 39.18 2d22 s ASN 670 CO 0.02 0.27 0.75 -0.62 -3.72 0.00 0.00 177.10 173.81 2d22 s ASP 671 N -1.20 -0.24 0.34 -4.21 -1.08 -0.99 -0.82 116.67 108.47 2d22 s ASP 671 Ca 0.13 -0.61 0.10 0.00 -0.52 0.00 0.00 52.55 51.64 2d22 s ASP 671 Cb -0.10 0.70 -0.06 0.00 -1.46 0.00 0.00 42.92 42.00 2d22 s ASP 671 CO 0.03 -1.31 -0.09 -0.72 0.52 0.00 0.00 175.17 173.61 2d22 s TYR 672 N -3.76 2.42 -1.70 -5.34 1.13 -1.26 -1.09 117.35 107.74 2d22 s TYR 672 Ca 0.11 -0.48 -0.01 0.00 -1.41 0.00 0.00 57.07 55.27 2d22 s TYR 672 Cb -0.05 -1.38 0.00 0.00 -1.10 0.00 0.00 41.96 39.43 2d22 s TYR 672 CO 0.07 0.58 0.19 0.09 -2.51 0.00 0.00 175.55 173.97 2d22 n ASN 673 N -0.81 -5.97 -0.32 -0.18 5.03 -1.26 -4.84 115.26 106.90 2d22 n ASN 673 Ca -0.05 -0.10 0.07 0.00 0.87 0.00 0.00 54.58 55.37 2d22 n ASN 673 Cb 0.63 -4.91 0.13 0.00 -1.02 0.00 0.00 39.78 34.60 2d22 n ASN 673 CO 0.00 0.00 0.00 2.30 -1.83 0.00 0.00 177.26 177.73 2d22 n ILE 674 N -4.18 1.56 0.01 2.41 -5.35 -1.26 -4.31 119.36 108.24 2d22 n ILE 674 Ca -0.20 -2.04 -0.19 0.00 -0.27 0.00 0.00 62.75 60.04 2d22 n ILE 674 Cb 0.67 -0.06 -0.14 0.00 -1.74 0.00 0.00 39.64 38.37 2d22 n ILE 674 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2d22 h GLU 675 N 0.26 0.23 -6.07 6.28 3.07 -1.93 -3.45 114.58 112.97 2d22 h GLU 675 Ca -0.01 -0.39 -0.58 0.00 -0.50 0.00 0.00 59.36 57.87 2d22 h GLU 675 Cb 1.11 0.15 -0.07 0.00 -0.84 0.00 0.00 28.75 29.10 2d22 h GLU 675 CO 0.01 1.08 0.72 1.21 -1.40 0.00 0.00 179.01 180.63 2d22 s ASN 676 N -6.89 6.96 0.42 1.42 3.84 -1.26 -4.15 114.94 115.28 2d22 s ASN 676 Ca -0.17 1.15 0.12 0.00 0.21 0.00 0.00 52.86 54.18 2d22 s ASN 676 Cb 0.07 -2.51 0.96 0.00 -0.55 0.00 0.00 41.25 39.22 2d22 s ASN 676 CO 0.80 -0.70 1.97 -0.25 -2.79 0.00 0.00 177.10 176.13 2d22 h TRP 677 N 7.75 0.52 0.00 0.43 2.91 -1.87 -2.62 115.95 123.06 2d22 h TRP 677 Ca -0.21 0.01 0.00 0.00 1.13 0.00 0.00 58.89 59.83 2d22 h TRP 677 Cb 1.07 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 29.55 2d22 h TRP 677 CO 0.78 0.25 0.00 1.79 -1.03 0.00 0.00 178.44 180.23 2d22 h THR 678 N 0.49 0.00 -3.87 2.65 1.35 -1.95 -3.42 112.91 108.17 2d22 h THR 678 Ca 0.29 -0.26 -0.51 0.00 -0.55 0.00 0.00 66.41 65.39 2d22 h THR 678 Cb 0.49 1.02 0.03 0.00 -1.73 0.00 0.00 68.15 67.96 2d22 h THR 678 CO -0.09 0.00 0.50 0.26 -0.25 0.00 0.00 175.52 175.94 2d22 s TRP 679 N -3.41 3.35 0.34 4.73 0.51 -0.99 -4.93 118.94 118.54 2d22 s TRP 679 Ca 0.03 1.62 0.03 0.00 -2.12 0.00 0.00 56.10 55.66 2d22 s TRP 679 Cb 0.09 -3.35 0.64 0.00 -0.81 0.00 0.00 33.47 30.04 2d22 s TRP 679 CO 0.40 -0.93 1.97 0.00 -0.51 0.00 0.00 176.95 177.88 2d22 h ALA 680 N 3.34 1.59 -0.31 0.98 0.00 -1.87 -2.43 119.26 120.56 2d22 h ALA 680 Ca -0.48 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 2d22 h ALA 680 Cb 1.22 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2d22 h ALA 680 CO 0.65 0.32 0.17 -0.22 0.00 0.00 0.00 179.25 180.18 2d22 h LYS 681 N 0.88 0.43 -0.39 0.00 3.64 -1.86 0.37 116.57 119.64 2d22 h LYS 681 Ca 0.30 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.68 2d22 h LYS 681 Cb 0.10 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 2d22 h LYS 681 CO -0.09 0.35 0.14 1.15 -2.27 0.00 0.00 179.45 178.73 2d22 h THR 682 N 0.38 0.88 0.00 1.00 2.02 -1.64 -1.08 112.91 114.48 2d22 h THR 682 Ca 0.11 -0.10 -0.09 0.00 0.77 0.00 0.00 66.41 67.10 2d22 h THR 682 Cb 0.05 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2d22 h THR 682 CO -0.02 0.05 -0.42 1.56 0.37 0.00 0.00 175.52 177.07 2d22 h GLN 683 N 0.29 0.00 -0.38 6.66 4.20 -1.21 -0.92 115.11 123.76 2d22 h GLN 683 Ca 0.18 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.78 2d22 h GLN 683 Cb 0.16 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2d22 h GLN 683 CO -0.18 0.42 -0.19 0.78 -0.67 0.00 0.00 178.83 178.99 2d22 h GLY 684 N 1.56 0.86 1.06 3.46 0.00 -0.19 -0.93 103.07 108.90 2d22 h GLY 684 Ca -0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 47.33 46.46 2d22 h GLY 684 CO 0.05 0.71 -0.01 -2.08 0.00 0.00 0.00 176.54 175.21 2d22 h VAL 685 N 0.59 1.27 -0.37 4.60 2.07 -0.92 -2.27 116.25 121.22 2d22 h VAL 685 Ca 0.08 -1.14 0.02 0.00 0.82 0.00 0.00 66.70 66.49 2d22 h VAL 685 Cb 0.74 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 2d22 h VAL 685 CO 0.06 0.41 0.21 0.22 0.02 0.00 0.00 177.57 178.48 2d22 h TYR 686 N 0.88 0.39 -0.67 1.57 3.20 -1.00 -1.28 116.97 120.06 2d22 h TYR 686 Ca 0.16 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2d22 h TYR 686 Cb 0.55 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 2d22 h TYR 686 CO 0.04 0.22 0.38 -0.91 -1.64 0.00 0.00 178.16 176.24 2d22 h ASN 687 N 0.42 0.82 -0.12 -2.11 2.35 -0.99 0.40 115.58 116.36 2d22 h ASN 687 Ca 0.15 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 2d22 h ASN 687 Cb 0.02 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.18 2d22 h ASN 687 CO -0.08 0.66 -0.01 -0.03 -1.65 0.00 0.00 177.43 176.32 2d22 h MET 688 N 0.94 0.21 -0.82 0.81 4.05 -0.84 -0.74 114.93 118.54 2d22 h MET 688 Ca 0.24 -0.07 -0.04 0.00 -0.28 0.00 0.00 59.70 59.55 2d22 h MET 688 Cb 0.01 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.76 2d22 h MET 688 CO -0.04 0.48 0.37 0.28 0.23 0.00 0.00 176.91 178.23 2d22 h VAL 689 N -0.07 1.26 -0.25 -5.77 2.07 -0.99 0.26 116.25 112.75 2d22 h VAL 689 Ca 0.03 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.81 2d22 h VAL 689 Cb 0.39 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2d22 h VAL 689 CO 0.01 0.32 0.15 -0.09 0.02 0.00 0.00 177.57 177.98 2d22 h ARG 690 N 1.17 0.30 -0.43 1.57 2.43 -0.79 -0.56 114.38 118.08 2d22 h ARG 690 Ca 0.28 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.45 2d22 h ARG 690 Cb 0.15 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 2d22 h ARG 690 CO -0.03 0.20 0.25 0.22 -1.51 0.00 0.00 179.97 179.10 2d22 h ASP 691 N 0.31 0.41 -0.16 -3.80 3.58 -0.60 -0.54 116.42 115.62 2d22 h ASP 691 Ca 0.09 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.58 2d22 h ASP 691 Cb -0.02 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 2d22 h ASP 691 CO -0.04 0.29 -0.02 -0.26 -2.88 0.00 0.00 179.24 176.33 2d22 h PHE 692 N 0.51 -0.04 -0.42 0.28 -1.00 -0.53 -1.34 116.94 114.39 2d22 h PHE 692 Ca 0.17 0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.90 2d22 h PHE 692 Cb 0.01 0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.60 2d22 h PHE 692 CO -0.07 -0.04 -0.01 0.87 -1.61 0.00 0.00 178.31 177.44 2d22 h LYS 693 N 0.03 0.69 -0.41 1.51 1.79 -0.84 0.89 116.57 120.22 2d22 h LYS 693 Ca 0.08 -0.18 -0.07 0.00 -2.18 0.00 0.00 60.65 58.30 2d22 h LYS 693 Cb 0.10 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 2d22 h LYS 693 CO -0.14 0.71 -0.05 1.96 -1.08 0.00 0.00 179.45 180.85 2d22 h GLN 694 N 0.65 0.69 -0.05 3.15 4.20 -0.66 -3.10 115.11 119.99 2d22 h GLN 694 Ca 0.13 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2d22 h GLN 694 Cb 0.42 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2d22 h GLN 694 CO 0.02 0.74 0.00 0.54 -0.67 0.00 0.00 178.83 179.46 2d22 n ARG 695 N -4.21 2.12 -0.64 1.46 1.74 -0.55 -4.96 116.66 111.62 2d22 n ARG 695 Ca 0.02 -1.63 0.00 0.00 -0.77 0.00 0.00 57.85 55.47 2d22 n ARG 695 Cb 0.31 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 2d22 n ARG 695 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2d22 n GLY 696 N 1.30 0.66 3.70 -0.13 0.00 -0.47 -5.02 105.19 105.23 2d22 n GLY 696 Ca 0.16 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2d22 n GLY 696 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d22 s VAL 697 N -2.00 3.33 -0.52 1.61 1.01 0.18 -4.91 120.40 119.11 2d22 s VAL 697 Ca 0.00 0.88 -0.27 0.00 0.00 0.00 0.00 61.98 62.59 2d22 s VAL 697 Cb 0.00 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 2d22 s VAL 697 CO 0.00 0.04 1.85 -2.16 0.00 0.00 0.00 175.10 174.82 2d22 s PRO 698 N 1.72 2.84 -0.03 2.72 0.04 -1.26 -4.45 135.00 136.58 2d22 s PRO 698 Ca 0.66 0.89 -0.01 0.00 0.04 0.00 0.00 61.00 62.59 2d22 s PRO 698 Cb -0.36 -4.33 0.03 0.00 0.04 0.00 0.00 34.50 29.88 2d22 s PRO 698 CO 0.29 -2.46 0.07 -1.50 0.04 0.00 0.00 177.00 173.44 2d22 s ILE 699 N 8.44 -0.06 -0.24 0.56 2.07 -1.26 -4.66 121.20 126.06 2d22 s ILE 699 Ca 0.72 0.21 0.08 0.00 -1.41 0.00 0.00 60.65 60.25 2d22 s ILE 699 Cb -0.16 -0.13 -0.11 0.00 0.13 0.00 0.00 42.46 42.20 2d22 s ILE 699 CO 0.25 0.08 0.28 0.47 -1.91 0.00 0.00 174.94 174.12 2d22 n ASP 700 N 4.19 1.44 -3.46 4.50 8.00 0.09 -4.90 116.55 126.42 2d22 n ASP 700 Ca -0.27 -0.42 -0.12 0.00 0.71 0.00 0.00 54.79 54.69 2d22 n ASP 700 Cb 0.51 1.15 -0.02 0.00 -0.02 0.00 0.00 41.12 42.74 2d22 n ASP 700 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2d22 s VAL 702 N -3.77 1.31 -0.12 0.00 1.01 -0.63 -1.53 120.40 116.67 2d22 s VAL 702 Ca 0.02 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 2d22 s VAL 702 Cb -0.01 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 2d22 s VAL 702 CO -0.11 0.40 0.13 -0.83 0.00 0.00 0.00 175.10 174.68 2d22 s GLY 703 N 0.85 2.13 -0.28 4.51 0.00 0.92 -1.74 107.32 113.71 2d22 s GLY 703 Ca -0.10 -0.66 -0.01 0.00 0.00 0.00 0.00 44.72 43.95 2d22 s GLY 703 CO 0.01 -0.36 -0.04 -1.36 0.00 0.00 0.00 173.10 171.36 2d22 s PHE 704 N -0.92 3.19 0.23 1.90 0.40 0.27 -2.36 117.98 120.69 2d22 s PHE 704 Ca 0.14 -1.81 -0.09 0.00 -0.60 0.00 0.00 56.93 54.57 2d22 s PHE 704 Cb -0.12 -2.07 0.37 0.00 0.51 0.00 0.00 43.02 41.71 2d22 s PHE 704 CO 0.03 -0.79 1.63 0.37 0.70 0.00 0.00 175.22 177.17 2d22 h GLN 705 N 7.98 0.06 -5.32 0.44 4.15 -1.42 -1.60 115.11 119.41 2d22 h GLN 705 Ca -0.25 -0.00 -0.31 0.00 0.77 0.00 0.00 58.65 58.86 2d22 h GLN 705 Cb 1.08 -0.01 0.15 0.00 0.21 0.00 0.00 27.48 28.90 2d22 h GLN 705 CO 0.54 0.04 -0.69 0.43 -1.93 0.00 0.00 178.83 177.22 2d22 n SER 706 N -5.38 -2.53 -4.38 -0.69 7.64 -1.26 -1.48 113.62 105.54 2d22 n SER 706 Ca 0.11 -0.55 -0.45 0.00 1.01 0.00 0.00 58.87 58.99 2d22 n SER 706 Cb 0.42 -4.69 -0.04 0.00 -1.01 0.00 0.00 64.21 58.90 2d22 n SER 706 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2d22 s HIS 707 N -3.32 3.13 -0.14 1.43 5.04 -1.26 -2.49 115.29 117.67 2d22 s HIS 707 Ca 0.07 -1.18 -0.05 0.00 -1.54 0.00 0.00 55.06 52.36 2d22 s HIS 707 Cb -0.03 -4.02 -0.04 0.00 0.04 0.00 0.00 32.58 28.53 2d22 s HIS 707 CO 0.66 -1.28 0.04 -0.06 -2.34 0.00 0.00 174.74 171.76 2d22 s PHE 708 N 2.31 3.23 0.35 3.88 0.08 -0.55 -4.88 117.98 122.40 2d22 s PHE 708 Ca 0.15 0.11 -0.14 0.00 0.12 0.00 0.00 56.93 57.17 2d22 s PHE 708 Cb -0.20 -1.95 0.03 0.00 -0.57 0.00 0.00 43.02 40.34 2d22 s PHE 708 CO 0.02 0.30 0.69 0.54 -0.10 0.00 0.00 175.22 176.67 2d22 s ASN 709 N -0.21 0.12 0.17 1.36 2.20 -1.04 -0.97 114.94 116.58 2d22 s ASN 709 Ca 0.07 -1.10 0.17 0.00 -0.94 0.00 0.00 52.86 51.06 2d22 s ASN 709 Cb -0.12 0.78 0.78 0.00 -2.00 0.00 0.00 41.25 40.69 2d22 s ASN 709 CO 0.02 -1.52 1.53 -1.54 -2.94 0.00 0.00 177.10 172.65 2d22 n SER 710 N -1.17 0.38 0.08 3.54 3.41 -1.26 -0.52 113.62 118.08 2d22 n SER 710 Ca -0.05 0.62 -0.00 0.00 -0.26 0.00 0.00 58.87 59.18 2d22 n SER 710 Cb 0.60 -0.69 -0.04 0.00 -0.26 0.00 0.00 64.21 63.82 2d22 n SER 710 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2d22 h GLY 711 N 1.40 0.00 -5.81 5.00 0.00 -1.99 -3.39 103.07 98.29 2d22 h GLY 711 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.88 2d22 h GLY 711 CO 0.00 0.00 -0.88 -1.26 0.00 0.00 0.00 176.54 174.40 2d22 n SER 712 N -3.11 -1.08 -4.77 0.19 2.88 -0.39 -5.14 113.62 102.20 2d22 n SER 712 Ca -0.03 -2.72 -0.35 0.00 -1.33 0.00 0.00 58.87 54.44 2d22 n SER 712 Cb 0.81 0.14 0.01 0.00 -0.75 0.00 0.00 64.21 64.43 2d22 n SER 712 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2d22 s PRO 713 N -0.18 3.20 0.36 -1.46 0.04 0.32 -2.50 135.00 134.78 2d22 s PRO 713 Ca 0.33 1.64 -0.28 0.00 0.04 0.00 0.00 61.00 62.74 2d22 s PRO 713 Cb 0.11 -1.98 -0.10 0.00 0.04 0.00 0.00 34.50 32.57 2d22 s PRO 713 CO -0.15 -0.98 1.35 -0.47 0.04 0.00 0.00 177.00 176.78 2d22 s TYR 714 N -1.79 2.87 -0.03 0.56 5.04 -1.26 -4.93 117.35 117.82 2d22 s TYR 714 Ca 0.73 1.36 0.05 0.00 -2.44 0.00 0.00 57.07 56.77 2d22 s TYR 714 Cb -0.25 -3.76 -0.01 0.00 0.35 0.00 0.00 41.96 38.29 2d22 s TYR 714 CO 0.30 -2.19 -0.18 1.21 -1.34 0.00 0.00 175.55 173.35 2d22 s ASN 715 N -0.48 2.22 0.56 4.32 3.84 -1.26 -5.02 114.94 119.12 2d22 s ASN 715 Ca 0.52 -0.35 0.37 0.00 0.21 0.00 0.00 52.86 53.61 2d22 s ASN 715 Cb -0.41 -0.46 2.00 0.00 -0.55 0.00 0.00 41.25 41.83 2d22 s ASN 715 CO 0.54 0.19 2.13 0.77 -2.79 0.00 0.00 177.10 177.94 2d22 h SER 716 N 6.00 0.00 0.00 -4.21 4.64 -1.97 -0.69 113.55 117.32 2d22 h SER 716 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2d22 h SER 716 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2d22 h SER 716 CO 0.48 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.98 2d22 n ASN 717 N -2.81 0.00 -0.05 4.97 0.23 -1.26 -2.85 115.26 113.49 2d22 n ASN 717 Ca -0.02 -1.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.03 2d22 n ASN 717 Cb 0.08 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.08 2d22 n ASN 717 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 2d22 h PHE 718 N 0.00 0.65 -0.76 -2.53 3.57 -1.28 -1.40 116.94 115.19 2d22 h PHE 718 Ca 0.00 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 2d22 h PHE 718 Cb 0.00 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 2d22 h PHE 718 CO 0.00 0.52 0.35 -0.09 -2.23 0.00 0.00 178.31 176.87 2d22 h ARG 719 N 0.64 1.09 -0.11 1.11 2.43 -1.79 -0.39 114.38 117.37 2d22 h ARG 719 Ca 0.15 -0.16 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 2d22 h ARG 719 Cb 0.16 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 2d22 h ARG 719 CO -0.01 0.85 -0.44 1.79 -1.51 0.00 0.00 179.97 180.65 2d22 h THR 720 N 1.08 1.32 -0.03 0.20 1.35 -1.52 -0.68 112.91 114.63 2d22 h THR 720 Ca 0.26 -1.59 -0.00 0.00 -0.55 0.00 0.00 66.41 64.52 2d22 h THR 720 Cb 0.13 1.72 -0.00 0.00 -1.73 0.00 0.00 68.15 68.27 2d22 h THR 720 CO -0.03 0.48 0.01 0.74 -0.25 0.00 0.00 175.52 176.46 2d22 h THR 721 N 0.22 1.18 -0.59 6.82 2.02 -0.56 0.14 112.91 122.13 2d22 h THR 721 Ca 0.02 -0.54 0.02 0.00 0.77 0.00 0.00 66.41 66.68 2d22 h THR 721 Cb 0.86 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 68.73 2d22 h THR 721 CO 0.07 0.15 0.37 -0.07 0.37 0.00 0.00 175.52 176.40 2d22 h LEU 722 N -0.16 0.61 -0.78 2.58 3.38 -0.91 -1.63 115.31 118.39 2d22 h LEU 722 Ca 0.01 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2d22 h LEU 722 Cb 0.23 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2d22 h LEU 722 CO 0.00 0.43 0.11 1.56 0.09 0.00 0.00 178.44 180.62 2d22 h GLN 723 N 0.73 1.02 -0.43 1.13 4.20 -0.97 -0.86 115.11 119.93 2d22 h GLN 723 Ca 0.24 -0.26 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 2d22 h GLN 723 Cb 0.00 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 2d22 h GLN 723 CO -0.09 0.94 0.20 -0.91 -0.67 0.00 0.00 178.83 178.30 2d22 h ASN 724 N 0.96 0.57 -0.48 1.46 2.35 -0.19 -1.38 115.58 118.88 2d22 h ASN 724 Ca 0.19 -0.13 -0.12 0.00 -0.55 0.00 0.00 56.30 55.69 2d22 h ASN 724 Cb 0.41 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2d22 h ASN 724 CO 0.01 0.54 -0.18 -0.26 -1.65 0.00 0.00 177.43 175.89 2d22 h PHE 725 N 0.55 1.11 -0.49 1.19 -1.00 -1.14 -2.88 116.94 114.28 2d22 h PHE 725 Ca 0.15 -0.25 0.00 0.00 2.81 0.00 0.00 57.97 60.67 2d22 h PHE 725 Cb 0.13 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 39.40 2d22 h PHE 725 CO -0.01 1.07 0.31 0.00 -1.61 0.00 0.00 178.31 178.07 2d22 h ALA 726 N 0.93 1.62 0.00 2.45 0.00 -0.88 -0.91 119.26 122.46 2d22 h ALA 726 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2d22 h ALA 726 Cb 0.75 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2d22 h ALA 726 CO 0.06 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.65 2d22 n ALA 727 N -2.46 1.43 1.22 0.00 0.00 -0.54 -1.35 120.51 118.81 2d22 n ALA 727 Ca 0.04 0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.72 2d22 n ALA 727 Cb 0.06 -1.32 0.60 0.00 0.00 0.00 0.00 19.45 18.80 2d22 n ALA 727 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2d22 n LEU 728 N -2.09 0.20 0.00 0.00 4.77 -0.34 -4.91 117.00 114.63 2d22 n LEU 728 Ca 0.01 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 2d22 n LEU 728 Cb 0.15 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 2d22 n LEU 728 CO 0.14 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 2d22 n GLY 729 N 1.38 1.39 3.29 -0.72 0.00 -0.46 -4.94 105.19 105.14 2d22 n GLY 729 Ca 0.11 -0.21 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 2d22 n GLY 729 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2d22 s VAL 730 N -2.00 1.49 0.63 1.61 -7.23 -1.24 -4.95 120.40 108.71 2d22 s VAL 730 Ca 0.00 -2.01 -0.06 0.00 -1.81 0.00 0.00 61.98 58.10 2d22 s VAL 730 Cb 0.00 -1.84 0.03 0.00 0.56 0.00 0.00 36.38 35.13 2d22 s VAL 730 CO 0.00 -0.56 0.94 -1.81 -0.31 0.00 0.00 175.10 173.36 2d22 s ASP 731 N -2.98 5.35 0.10 4.85 1.01 0.20 -4.21 116.67 120.99 2d22 s ASP 731 Ca 0.17 0.63 0.06 0.00 0.71 0.00 0.00 52.55 54.11 2d22 s ASP 731 Cb -0.01 -1.51 -0.03 0.00 1.01 0.00 0.00 42.92 42.37 2d22 s ASP 731 CO 0.04 -1.23 -0.14 0.68 0.21 0.00 0.00 175.17 174.73 2d22 s VAL 732 N -3.07 1.24 -0.07 -1.27 -7.23 -0.46 -1.60 120.40 107.94 2d22 s VAL 732 Ca 0.56 -1.59 -0.10 0.00 -1.81 0.00 0.00 61.98 59.04 2d22 s VAL 732 Cb -0.11 -1.38 0.02 0.00 0.56 0.00 0.00 36.38 35.47 2d22 s VAL 732 CO 0.45 -0.36 0.25 0.00 -0.31 0.00 0.00 175.10 175.13 2d22 s ALA 733 N -1.89 -0.63 -0.39 1.32 0.00 -0.71 -0.84 121.76 118.62 2d22 s ALA 733 Ca 0.05 0.53 -0.18 0.00 0.00 0.00 0.00 51.96 52.36 2d22 s ALA 733 Cb -0.06 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.81 2d22 s ALA 733 CO 0.03 -0.16 0.52 0.42 0.00 0.00 0.00 175.76 176.57 2d22 s ILE 734 N -0.36 4.99 -0.14 0.00 1.01 -0.98 -0.57 121.20 125.15 2d22 s ILE 734 Ca -0.05 0.12 0.16 0.00 0.00 0.00 0.00 60.65 60.88 2d22 s ILE 734 Cb -0.03 -4.04 -0.24 0.00 0.01 0.00 0.00 42.46 38.16 2d22 s ILE 734 CO 0.01 -0.36 0.30 0.35 0.00 0.00 0.00 174.94 175.24 2d22 n THR 735 N 5.53 1.42 -2.78 2.92 -2.24 -0.60 -0.67 114.28 117.85 2d22 n THR 735 Ca -0.05 -0.82 -0.03 0.00 -2.27 0.00 0.00 64.05 60.88 2d22 n THR 735 Cb 0.48 -0.64 0.05 0.00 -2.10 0.00 0.00 70.33 68.12 2d22 n THR 735 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2d22 n GLU 736 N -2.84 1.55 -1.69 -0.78 1.02 -0.55 -4.60 120.64 112.76 2d22 n GLU 736 Ca -0.26 -3.36 -0.45 0.00 -0.02 0.00 0.00 57.16 53.07 2d22 n GLU 736 Cb 1.10 -1.44 -0.04 0.00 -0.02 0.00 0.00 31.44 31.05 2d22 n GLU 736 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2d22 n LEU 737 N -0.47 3.55 -3.63 -4.62 7.94 -0.10 -4.16 117.00 115.51 2d22 n LEU 737 Ca 0.07 1.05 -0.15 0.00 -1.11 0.00 0.00 56.01 55.87 2d22 n LEU 737 Cb 0.81 -1.48 -0.07 0.00 0.53 0.00 0.00 43.42 43.20 2d22 n LEU 737 CO 0.12 -0.05 0.32 1.51 -1.11 0.00 0.00 177.39 178.17 2d22 s ASP 738 N 1.65 -0.59 -0.09 1.96 1.47 -1.04 -0.82 116.67 119.20 2d22 s ASP 738 Ca 0.80 0.93 0.00 0.00 1.18 0.00 0.00 52.55 55.46 2d22 s ASP 738 Cb -0.60 0.91 0.02 0.00 -0.34 0.00 0.00 42.92 42.92 2d22 s ASP 738 CO 0.38 -0.37 -0.06 -0.63 0.68 0.00 0.00 175.17 175.16 2d22 s ILE 739 N -0.36 0.86 -0.07 2.11 1.01 -0.77 -1.48 121.20 122.51 2d22 s ILE 739 Ca -0.05 -0.22 -0.37 0.00 0.00 0.00 0.00 60.65 60.01 2d22 s ILE 739 Cb -0.03 -0.89 -0.15 0.00 0.01 0.00 0.00 42.46 41.40 2d22 s ILE 739 CO 0.04 0.33 1.65 1.67 0.00 0.00 0.00 174.94 178.63 2d22 n GLN 740 N 4.69 1.56 -0.36 2.79 7.27 -0.14 0.29 117.38 133.48 2d22 n GLN 740 Ca -0.15 0.57 0.00 0.00 0.07 0.00 0.00 57.00 57.49 2d22 n GLN 740 Cb 0.50 -2.29 0.00 0.00 2.41 0.00 0.00 30.24 30.86 2d22 n GLN 740 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2d22 n GLY 741 N 3.69 1.85 3.78 1.69 0.00 0.50 -3.97 105.19 112.72 2d22 n GLY 741 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 2d22 n GLY 741 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d22 n ALA 742 N 0.49 -1.84 -1.65 4.61 0.00 0.15 -4.86 120.51 117.40 2d22 n ALA 742 Ca 0.00 -0.09 -0.49 0.00 0.00 0.00 0.00 53.44 52.86 2d22 n ALA 742 Cb 0.00 -2.48 -0.05 0.00 0.00 0.00 0.00 19.45 16.92 2d22 n ALA 742 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2d22 n SER 743 N -3.00 2.69 -0.15 0.00 2.88 -1.25 -4.44 113.62 110.35 2d22 n SER 743 Ca -0.22 1.08 -0.09 0.00 -1.33 0.00 0.00 58.87 58.31 2d22 n SER 743 Cb 0.64 -1.33 -0.00 0.00 -0.75 0.00 0.00 64.21 62.77 2d22 n SER 743 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2d22 h SER 744 N 6.13 0.62 -0.49 -3.46 0.02 -1.81 -1.36 113.55 113.20 2d22 h SER 744 Ca -0.46 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.25 2d22 h SER 744 Cb 1.28 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 2d22 h SER 744 CO 0.87 0.64 0.12 0.77 -1.14 0.00 0.00 176.83 178.09 2d22 h SER 745 N 0.57 0.79 -0.26 3.07 4.64 -1.90 -0.40 113.55 120.07 2d22 h SER 745 Ca 0.14 -0.15 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 2d22 h SER 745 Cb 0.22 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2d22 h SER 745 CO -0.01 0.79 -0.46 0.74 -0.87 0.00 0.00 176.83 177.02 2d22 h THR 746 N 0.81 1.30 -0.82 2.95 2.02 -1.91 -0.17 112.91 117.09 2d22 h THR 746 Ca 0.18 -1.65 -0.04 0.00 0.77 0.00 0.00 66.41 65.66 2d22 h THR 746 Cb 0.32 1.70 -0.04 0.00 -1.74 0.00 0.00 68.15 68.39 2d22 h THR 746 CO 0.00 0.53 0.35 1.88 0.37 0.00 0.00 175.52 178.65 2d22 h TYR 747 N 0.52 1.22 -0.43 3.16 0.05 -1.01 -1.20 116.97 119.28 2d22 h TYR 747 Ca 0.02 -0.08 -0.08 0.00 0.05 0.00 0.00 58.73 58.63 2d22 h TYR 747 Cb 1.06 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 38.42 2d22 h TYR 747 CO 0.08 0.90 -0.07 0.00 -1.05 0.00 0.00 178.16 178.03 2d22 h ALA 748 N 1.20 0.58 -0.54 3.88 0.00 -0.97 -2.11 119.26 121.30 2d22 h ALA 748 Ca 0.28 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2d22 h ALA 748 Cb 0.18 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2d22 h ALA 748 CO -0.03 0.43 0.34 0.00 0.00 0.00 0.00 179.25 179.99 2d22 h ALA 749 N 0.87 0.69 -0.46 0.00 0.00 -0.63 0.73 119.26 120.45 2d22 h ALA 749 Ca 0.11 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2d22 h ALA 749 Cb 0.58 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2d22 h ALA 749 CO 0.03 0.16 -0.05 0.28 0.00 0.00 0.00 179.25 179.67 2d22 h VAL 750 N 0.73 1.27 -0.69 0.00 2.07 -1.21 -1.37 116.25 117.05 2d22 h VAL 750 Ca 0.20 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.58 2d22 h VAL 750 Cb -0.04 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2d22 h VAL 750 CO -0.04 0.39 0.44 0.74 0.02 0.00 0.00 177.57 179.12 2d22 h THR 751 N 0.70 1.19 0.00 2.57 2.02 -1.03 -1.90 112.91 116.46 2d22 h THR 751 Ca 0.13 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.86 2d22 h THR 751 Cb 0.57 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 2d22 h THR 751 CO 0.03 0.19 -0.29 0.78 0.37 0.00 0.00 175.52 176.61 2d22 h ASN 752 N 0.94 0.00 -0.37 4.18 2.35 -0.64 -1.81 115.58 120.24 2d22 h ASN 752 Ca 0.25 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.94 2d22 h ASN 752 Cb -0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 2d22 h ASN 752 CO -0.05 0.29 -0.01 0.44 -1.65 0.00 0.00 177.43 176.44 2d22 h ASP 753 N 0.00 0.65 -0.41 5.81 3.32 -0.46 -0.90 116.42 124.43 2d22 h ASP 753 Ca -0.00 -0.32 -0.11 0.00 0.02 0.00 0.00 57.03 56.62 2d22 h ASP 753 Cb 0.68 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 2d22 h ASP 753 CO 0.04 0.81 -0.15 0.00 -1.72 0.00 0.00 179.24 178.22 2d22 h LEU 755 N 0.79 0.00 0.00 0.00 3.38 -1.10 -2.60 115.31 115.77 2d22 h LEU 755 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2d22 h LEU 755 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2d22 h LEU 755 CO 0.05 0.10 -0.40 0.00 0.09 0.00 0.00 178.44 178.28 2d22 n ALA 756 N -2.22 2.81 -3.23 1.53 0.00 -0.36 -4.72 120.51 114.32 2d22 n ALA 756 Ca -0.01 -0.20 -0.38 0.00 0.00 0.00 0.00 53.44 52.85 2d22 n ALA 756 Cb 0.25 -1.26 -0.12 0.00 0.00 0.00 0.00 19.45 18.32 2d22 n ALA 756 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2d22 s VAL 757 N -3.11 3.78 0.50 0.00 1.01 -0.98 -4.98 120.40 116.62 2d22 s VAL 757 Ca 0.09 -1.11 0.24 0.00 0.00 0.00 0.00 61.98 61.19 2d22 s VAL 757 Cb 0.14 -3.13 0.40 0.00 0.00 0.00 0.00 36.38 33.79 2d22 s VAL 757 CO 0.67 -0.17 1.95 0.77 0.00 0.00 0.00 175.10 178.32 2d22 h SER 758 N 8.22 0.12 -0.36 3.32 4.64 -1.84 -0.44 113.55 127.21 2d22 h SER 758 Ca -0.23 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2d22 h SER 758 Cb 1.08 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2d22 h SER 758 CO 0.60 0.06 0.00 0.54 -0.87 0.00 0.00 176.83 177.16 2d22 n ARG 759 N -4.39 1.91 -2.70 4.77 1.74 -1.26 -4.78 116.66 111.94 2d22 n ARG 759 Ca 0.13 -1.40 -0.43 0.00 -0.77 0.00 0.00 57.85 55.38 2d22 n ARG 759 Cb 0.66 -1.33 -0.03 0.00 -1.02 0.00 0.00 32.46 30.74 2d22 n ARG 759 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2d22 h LEU 761 N 10.59 0.19 0.00 0.00 3.38 -1.29 -3.48 115.31 124.70 2d22 h LEU 761 Ca -0.23 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2d22 h LEU 761 Cb 1.07 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.77 2d22 h LEU 761 CO 1.05 0.58 0.00 0.61 0.09 0.00 0.00 178.44 180.77 2d22 n GLY 762 N -0.23 -2.08 3.08 0.83 0.00 -1.26 -2.82 105.19 102.70 2d22 n GLY 762 Ca -0.01 -1.21 -0.23 0.00 0.00 0.00 0.00 46.02 44.57 2d22 n GLY 762 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2d22 s ILE 763 N -2.37 1.12 -0.11 -0.61 1.01 -0.90 -2.32 121.20 117.02 2d22 s ILE 763 Ca 0.00 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 60.13 2d22 s ILE 763 Cb 0.00 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.50 2d22 s ILE 763 CO 0.00 0.33 -0.23 -0.89 0.00 0.00 0.00 174.94 174.15 2d22 s THR 764 N 0.06 2.04 0.01 2.92 2.01 0.15 -0.14 115.64 122.68 2d22 s THR 764 Ca -0.02 -0.99 -0.10 0.00 0.31 0.00 0.00 61.69 60.88 2d22 s THR 764 Cb -0.09 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.59 2d22 s THR 764 CO 0.01 0.55 0.33 0.68 -0.69 0.00 0.00 174.62 175.50 2d22 s VAL 765 N 0.49 5.19 -1.50 3.82 -7.23 -0.34 -0.93 120.40 119.90 2d22 s VAL 765 Ca -0.15 0.46 -0.12 0.00 -1.81 0.00 0.00 61.98 60.36 2d22 s VAL 765 Cb -0.17 -3.61 0.01 0.00 0.56 0.00 0.00 36.38 33.17 2d22 s VAL 765 CO 0.06 0.44 2.47 1.87 -0.31 0.00 0.00 175.10 179.63 2d22 n TRP 766 N 1.38 3.02 0.00 2.82 -0.00 -0.00 -2.65 117.44 122.00 2d22 n TRP 766 Ca -0.12 -2.99 0.00 0.00 -0.00 0.00 0.00 57.50 54.38 2d22 n TRP 766 Cb 0.53 -2.43 0.00 0.00 -0.00 0.00 0.00 31.31 29.40 2d22 n TRP 766 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 2d22 n GLY 767 N 3.63 3.59 0.03 5.87 0.00 -1.26 -4.66 105.19 112.39 2d22 n GLY 767 Ca 0.61 -1.73 -0.03 0.00 0.00 0.00 0.00 46.02 44.88 2d22 n GLY 767 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2d22 n VAL 768 N -1.75 0.59 -4.13 1.61 0.31 -1.26 -4.61 118.33 109.08 2d22 n VAL 768 Ca 0.00 0.37 -0.25 0.00 -0.01 0.00 0.00 64.34 64.45 2d22 n VAL 768 Cb 0.00 -1.85 -0.06 0.00 -0.91 0.00 0.00 33.84 31.02 2d22 n VAL 768 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2d22 s ARG 769 N -1.62 2.77 0.36 5.55 0.52 -1.26 -3.60 118.95 121.67 2d22 s ARG 769 Ca -0.08 -0.99 0.11 0.00 -0.52 0.00 0.00 55.73 54.25 2d22 s ARG 769 Cb 0.01 -2.54 0.89 0.00 0.52 0.00 0.00 34.95 33.83 2d22 s ARG 769 CO 0.13 0.45 1.84 -0.44 0.02 0.00 0.00 175.30 177.30 2d22 h ASP 770 N 2.26 0.61 0.62 0.23 3.32 -1.13 0.19 116.42 122.51 2d22 h ASP 770 Ca -0.47 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2d22 h ASP 770 Cb 1.21 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2d22 h ASP 770 CO 0.61 0.27 0.00 0.71 -1.72 0.00 0.00 179.24 179.11 2d22 h THR 771 N 0.62 0.00 -0.00 0.35 1.35 -1.87 -2.05 112.91 111.31 2d22 h THR 771 Ca 0.49 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 66.12 2d22 h THR 771 Cb 0.91 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 2d22 h THR 771 CO -0.24 0.00 -0.60 0.47 -0.25 0.00 0.00 175.52 174.90 2d22 n ASP 772 N -2.46 0.81 -4.77 5.36 8.00 0.65 -4.96 116.55 119.18 2d22 n ASP 772 Ca 0.01 -0.62 -0.38 0.00 0.71 0.00 0.00 54.79 54.51 2d22 n ASP 772 Cb 0.20 0.45 -0.02 0.00 -0.02 0.00 0.00 41.12 41.74 2d22 n ASP 772 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2d22 s SER 773 N -2.90 6.45 0.00 -2.24 0.15 -0.77 -4.87 113.70 109.52 2d22 s SER 773 Ca 0.12 2.36 0.17 0.00 0.70 0.00 0.00 55.95 59.30 2d22 s SER 773 Cb 0.17 -2.61 0.77 0.00 -1.71 0.00 0.00 66.02 62.64 2d22 s SER 773 CO 0.71 -0.73 1.54 -2.67 1.20 0.00 0.00 173.24 173.29 2d22 n TRP 774 N -0.02 0.00 -2.70 3.44 4.27 -1.26 -2.71 117.44 118.45 2d22 n TRP 774 Ca 0.05 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.53 2d22 n TRP 774 Cb 0.47 -0.44 0.02 0.00 -1.36 0.00 0.00 31.31 30.00 2d22 n TRP 774 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 2d22 n ARG 775 N -1.44 1.44 -0.02 -2.67 5.12 -1.26 -4.95 116.66 112.87 2d22 n ARG 775 Ca 0.05 -3.45 0.22 0.00 -1.93 0.00 0.00 57.85 52.74 2d22 n ARG 775 Cb 0.18 -1.43 0.70 0.00 -1.16 0.00 0.00 32.46 30.75 2d22 n ARG 775 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2d22 h SER 776 N 2.95 0.00 0.26 0.55 4.64 -1.69 -1.09 113.55 119.17 2d22 h SER 776 Ca -0.02 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2d22 h SER 776 Cb 1.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2d22 h SER 776 CO 0.55 0.00 -0.05 1.23 -0.87 0.00 0.00 176.83 177.69 2d22 h GLY 777 N 0.00 0.00 -2.20 -0.77 0.00 -1.90 -0.60 103.07 97.60 2d22 h GLY 777 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2d22 h GLY 777 CO -0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 2d22 n ASP 778 N -3.51 3.25 -3.50 0.19 8.00 -0.41 -4.95 116.55 115.61 2d22 n ASP 778 Ca -0.02 -2.09 -0.07 0.00 0.71 0.00 0.00 54.79 53.32 2d22 n ASP 778 Cb 0.17 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 2d22 n ASP 778 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2d22 n THR 779 N 1.08 -0.43 1.04 -3.53 -2.24 -0.23 -0.37 114.28 109.59 2d22 n THR 779 Ca 0.19 -0.07 0.09 0.00 -2.27 0.00 0.00 64.05 62.00 2d22 n THR 779 Cb 0.54 -0.37 0.30 0.00 -2.10 0.00 0.00 70.33 68.70 2d22 n THR 779 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2d22 n PRO 780 N -1.39 1.82 -1.82 -0.78 -0.04 -1.26 -3.30 135.00 128.23 2d22 n PRO 780 Ca -0.03 -1.24 -0.06 0.00 -0.04 0.00 0.00 63.50 62.14 2d22 n PRO 780 Cb 0.09 -1.37 0.01 0.00 -0.04 0.00 0.00 33.50 32.19 2d22 n PRO 780 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2d22 n LEU 781 N 0.47 0.00 -0.00 1.53 4.77 -1.26 -1.84 117.00 120.67 2d22 n LEU 781 Ca 0.15 -0.66 0.11 0.00 -0.03 0.00 0.00 56.01 55.59 2d22 n LEU 781 Cb 0.34 -0.05 0.09 0.00 -2.33 0.00 0.00 43.42 41.47 2d22 n LEU 781 CO 0.12 -0.42 0.24 0.18 -1.33 0.00 0.00 177.39 176.17 2d22 n LEU 782 N 0.00 0.72 -4.20 2.23 4.77 -1.26 -4.78 117.00 114.47 2d22 n LEU 782 Ca 0.01 -0.22 -0.24 0.00 -0.03 0.00 0.00 56.01 55.54 2d22 n LEU 782 Cb 0.15 -0.14 -0.14 0.00 -2.33 0.00 0.00 43.42 40.96 2d22 n LEU 782 CO 0.09 0.18 -0.50 -0.36 -1.33 0.00 0.00 177.39 175.47 2d22 s PHE 783 N -3.00 1.59 0.87 -1.77 0.40 -1.24 -1.68 117.98 113.16 2d22 s PHE 783 Ca 0.10 -0.35 -0.12 0.00 -0.60 0.00 0.00 56.93 55.95 2d22 s PHE 783 Cb 0.17 -0.96 0.12 0.00 0.51 0.00 0.00 43.02 42.86 2d22 s PHE 783 CO 0.77 0.06 1.16 -0.80 0.70 0.00 0.00 175.22 177.11 2d22 s ASN 784 N -1.04 3.87 0.42 1.36 0.02 -0.27 -0.71 114.94 118.60 2d22 s ASN 784 Ca 0.06 0.86 0.09 0.00 -1.02 0.00 0.00 52.86 52.84 2d22 s ASN 784 Cb -0.08 -1.37 0.89 0.00 0.02 0.00 0.00 41.25 40.71 2d22 s ASN 784 CO 0.01 -2.31 2.04 1.23 0.02 0.00 0.00 177.10 178.09 2d22 h GLY 785 N -1.33 0.44 -0.52 0.66 0.00 -1.92 -0.18 103.07 100.21 2d22 h GLY 785 Ca -0.48 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.66 2d22 h GLY 785 CO 0.62 0.18 0.00 2.09 0.00 0.00 0.00 176.54 179.43 2d22 n ASP 786 N -4.44 0.76 0.00 0.19 5.68 -1.26 -4.88 116.55 112.60 2d22 n ASP 786 Ca 0.01 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.31 2d22 n ASP 786 Cb 0.11 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 2d22 n ASP 786 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2d22 n GLY 787 N 0.73 0.83 3.79 6.12 0.00 -0.08 -5.04 105.19 111.54 2d22 n GLY 787 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 2d22 n GLY 787 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d22 s SER 788 N -2.72 7.13 0.18 1.61 1.04 -1.26 -4.71 113.70 114.97 2d22 s SER 788 Ca 0.00 1.86 -0.30 0.00 0.48 0.00 0.00 55.95 57.98 2d22 s SER 788 Cb 0.00 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.46 2d22 s SER 788 CO 0.00 -0.22 1.34 -0.54 0.98 0.00 0.00 173.24 174.80 2d22 s LYS 789 N -2.37 4.36 0.62 4.02 1.02 -1.26 -1.11 119.74 125.02 2d22 s LYS 789 Ca 0.54 2.08 -0.05 0.00 0.02 0.00 0.00 55.97 58.57 2d22 s LYS 789 Cb -0.18 -3.20 0.03 0.00 -0.52 0.00 0.00 37.83 33.96 2d22 s LYS 789 CO 0.23 -0.32 0.91 0.15 -0.92 0.00 0.00 175.35 175.40 2d22 s LYS 790 N 0.19 2.61 0.35 1.68 1.02 -0.68 -4.81 119.74 120.11 2d22 s LYS 790 Ca 0.59 -0.23 0.07 0.00 0.02 0.00 0.00 55.97 56.42 2d22 s LYS 790 Cb -0.37 -2.28 0.75 0.00 -0.52 0.00 0.00 37.83 35.41 2d22 s LYS 790 CO 0.36 -0.87 1.90 0.00 -0.92 0.00 0.00 175.35 175.82 2d22 h ALA 791 N -0.26 1.75 -0.07 5.17 0.00 -1.86 -0.09 119.26 123.89 2d22 h ALA 791 Ca -0.45 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2d22 h ALA 791 Cb 1.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2d22 h ALA 791 CO 0.59 0.06 -0.10 0.00 0.00 0.00 0.00 179.25 179.80 2d22 h ALA 792 N 1.59 1.71 -0.20 0.00 0.00 -1.89 -2.55 119.26 117.92 2d22 h ALA 792 Ca 0.40 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.19 2d22 h ALA 792 Cb 0.51 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2d22 h ALA 792 CO -0.17 0.22 0.11 -0.92 0.00 0.00 0.00 179.25 178.49 2d22 h TYR 793 N 0.10 0.21 -0.49 0.00 5.03 -1.21 -0.58 116.97 120.03 2d22 h TYR 793 Ca 0.02 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.30 2d22 h TYR 793 Cb 0.24 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.44 2d22 h TYR 793 CO 0.00 0.12 0.14 1.15 -1.32 0.00 0.00 178.16 178.26 2d22 h THR 794 N 0.23 1.20 -0.37 1.81 2.02 -1.47 -0.47 112.91 115.86 2d22 h THR 794 Ca 0.08 -0.69 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 2d22 h THR 794 Cb 0.00 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 2d22 h THR 794 CO -0.04 0.26 0.08 0.00 0.37 0.00 0.00 175.52 176.19 2d22 h ALA 795 N 1.46 0.49 -0.15 6.16 0.00 -1.11 -0.07 119.26 126.04 2d22 h ALA 795 Ca 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2d22 h ALA 795 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2d22 h ALA 795 CO -0.01 0.17 0.01 0.28 0.00 0.00 0.00 179.25 179.71 2d22 h VAL 796 N 0.46 1.23 -0.70 0.00 2.07 -0.75 -1.50 116.25 117.05 2d22 h VAL 796 Ca 0.12 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 66.90 2d22 h VAL 796 Cb 0.32 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 2d22 h VAL 796 CO 0.00 0.22 0.45 0.25 0.02 0.00 0.00 177.57 178.52 2d22 h LEU 797 N 0.01 0.75 -0.64 2.57 5.85 -1.01 -0.13 115.31 122.70 2d22 h LEU 797 Ca 0.04 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2d22 h LEU 797 Cb 0.33 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2d22 h LEU 797 CO 0.00 0.53 0.36 -1.13 -0.34 0.00 0.00 178.44 177.86 2d22 h ASN 798 N 0.89 0.80 -0.12 1.25 -1.24 -0.90 -0.80 115.58 115.46 2d22 h ASN 798 Ca 0.28 -0.09 -0.00 0.00 0.71 0.00 0.00 56.30 57.19 2d22 h ASN 798 Cb -0.02 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 38.82 2d22 h ASN 798 CO -0.09 0.66 0.06 0.00 -1.29 0.00 0.00 177.43 176.77 2d22 h ALA 799 N 1.18 0.15 -0.87 1.57 0.00 -0.67 0.29 119.26 120.91 2d22 h ALA 799 Ca 0.23 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.12 2d22 h ALA 799 Cb 0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 2d22 h ALA 799 CO -0.04 -0.31 0.57 -0.07 0.00 0.00 0.00 179.25 179.41 2d22 h LEU 800 N 0.08 0.92 0.00 0.00 3.38 -0.80 -1.12 115.31 117.76 2d22 h LEU 800 Ca 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2d22 h LEU 800 Cb 0.09 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2d22 h LEU 800 CO -0.01 0.62 0.00 0.59 0.09 0.00 0.00 178.44 179.74 2d22 n ASN 801 N -4.45 0.00 0.00 -0.43 3.02 -0.33 -4.76 115.26 108.31 2d22 n ASN 801 Ca 0.12 -1.21 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 2d22 n ASN 801 Cb 0.13 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 2d22 n ASN 801 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d22 n GLY 802 N 0.66 1.46 0.01 7.41 0.00 -0.43 -5.06 105.19 109.24 2d22 n GLY 802 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2d22 n GLY 802 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d22 n GLY 803 N -0.91 -2.48 0.00 -0.02 0.00 0.98 -4.96 105.19 97.80 2d22 n GLY 803 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2d22 n GLY 803 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d22 n GLY 813 N -2.12 1.75 3.87 -0.02 0.00 -0.95 -4.99 105.19 102.74 2d22 n GLY 813 Ca -0.00 -2.01 -0.31 0.00 0.00 0.00 0.00 46.02 43.70 2d22 n GLY 813 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2d22 s GLN 814 N -2.19 3.56 -0.46 1.61 -0.21 -1.26 0.15 119.66 120.85 2d22 s GLN 814 Ca 0.00 0.69 0.03 0.00 0.02 0.00 0.00 55.36 56.10 2d22 s GLN 814 Cb 0.00 -2.10 0.13 0.00 1.00 0.00 0.00 33.01 32.03 2d22 s GLN 814 CO 0.00 -0.56 0.22 0.42 -2.12 0.00 0.00 175.29 173.24 2d22 s ILE 815 N -3.15 2.16 0.04 1.08 1.01 -1.26 -4.55 121.20 116.53 2d22 s ILE 815 Ca 0.55 -2.90 -0.30 0.00 0.00 0.00 0.00 60.65 58.00 2d22 s ILE 815 Cb -0.11 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 2d22 s ILE 815 CO 0.53 -0.79 1.00 -0.54 0.00 0.00 0.00 174.94 175.14 2d22 s LYS 816 N 0.14 4.59 -0.25 2.79 1.02 -0.40 -1.91 119.74 125.72 2d22 s LYS 816 Ca 0.16 1.47 -0.20 0.00 0.02 0.00 0.00 55.97 57.41 2d22 s LYS 816 Cb -0.24 -3.42 -0.02 0.00 -0.52 0.00 0.00 37.83 33.62 2d22 s LYS 816 CO -0.02 0.00 0.62 0.20 -0.92 0.00 0.00 175.35 175.23 2d22 s GLY 817 N 0.73 1.84 0.23 -3.33 0.00 0.06 0.36 107.32 107.22 2d22 s GLY 817 Ca 0.51 -0.43 -0.32 0.00 0.00 0.00 0.00 44.72 44.48 2d22 s GLY 817 CO 0.29 1.40 1.60 -0.62 0.00 0.00 0.00 173.10 175.77 2d22 n VAL 818 N 5.13 0.51 0.00 1.40 0.31 -0.24 -1.14 118.33 124.30 2d22 n VAL 818 Ca -0.01 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 2d22 n VAL 818 Cb 0.49 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 2d22 n VAL 818 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2d22 n GLY 819 N 2.93 2.73 0.16 2.92 0.00 -1.26 -4.26 105.19 108.41 2d22 n GLY 819 Ca 0.13 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 2d22 n GLY 819 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2d22 h SER 820 N 0.00 0.44 0.00 1.61 4.64 -1.82 -3.47 113.55 114.95 2d22 h SER 820 Ca 0.00 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2d22 h SER 820 Cb 0.00 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 2d22 h SER 820 CO 0.00 1.08 0.00 0.61 -0.87 0.00 0.00 176.83 177.65 2d22 n GLY 821 N 0.71 0.55 3.96 -0.77 0.00 -0.29 -4.91 105.19 104.45 2d22 n GLY 821 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 2d22 n GLY 821 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2d22 s ARG 822 N -0.33 3.12 0.11 1.61 0.52 -1.26 -4.69 118.95 118.04 2d22 s ARG 822 Ca 0.00 -1.00 0.04 0.00 -0.52 0.00 0.00 55.73 54.25 2d22 s ARG 822 Cb 0.00 -2.78 -0.04 0.00 0.52 0.00 0.00 34.95 32.65 2d22 s ARG 822 CO 0.00 0.14 0.07 0.00 0.02 0.00 0.00 175.30 175.54 2d22 s LEU 824 N -2.58 4.42 0.02 0.00 2.96 -0.80 -1.70 118.68 120.99 2d22 s LEU 824 Ca 0.29 2.62 0.03 0.00 -0.22 0.00 0.00 54.13 56.84 2d22 s LEU 824 Cb -0.11 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.03 2d22 s LEU 824 CO 0.21 -1.03 -0.09 -0.62 -1.32 0.00 0.00 176.35 173.50 2d22 s ASP 825 N 4.09 1.08 -0.43 3.68 -1.08 0.50 -4.57 116.67 119.94 2d22 s ASP 825 Ca 0.85 -0.34 -0.19 0.00 -0.52 0.00 0.00 52.55 52.36 2d22 s ASP 825 Cb -0.42 -0.06 0.02 0.00 -1.46 0.00 0.00 42.92 41.01 2d22 s ASP 825 CO 0.39 -0.01 0.54 -0.69 0.52 0.00 0.00 175.17 175.92 2d22 s VAL 826 N -0.70 4.96 -0.27 1.11 1.01 -0.35 -0.99 120.40 125.18 2d22 s VAL 826 Ca -0.01 -0.13 -0.40 0.00 0.00 0.00 0.00 61.98 61.44 2d22 s VAL 826 Cb -0.06 -4.12 -0.18 0.00 0.00 0.00 0.00 36.38 32.02 2d22 s VAL 826 CO 0.00 -0.51 1.25 -2.65 0.00 0.00 0.00 175.10 173.19 2d22 n PRO 827 N 5.92 0.00 -1.49 2.72 -0.02 -1.26 -0.66 135.00 140.20 2d22 n PRO 827 Ca -0.05 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.26 2d22 n PRO 827 Cb 0.48 -1.35 -0.07 0.00 -0.02 0.00 0.00 33.50 32.53 2d22 n PRO 827 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2d22 n ASN 828 N 2.70 -4.97 -2.76 2.55 5.03 -1.26 -1.76 115.26 114.79 2d22 n ASN 828 Ca 0.24 0.43 -0.21 0.00 0.87 0.00 0.00 54.58 55.91 2d22 n ASN 828 Cb -0.00 -4.31 0.01 0.00 -1.02 0.00 0.00 39.78 34.45 2d22 n ASN 828 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2d22 n ALA 829 N 1.11 -0.83 -1.64 5.41 0.00 0.17 -4.94 120.51 119.79 2d22 n ALA 829 Ca -0.17 0.20 -0.34 0.00 0.00 0.00 0.00 53.44 53.13 2d22 n ALA 829 Cb 0.60 -2.89 0.02 0.00 0.00 0.00 0.00 19.45 17.19 2d22 n ALA 829 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2d22 s SER 830 N -2.39 5.49 -0.06 0.00 0.15 -0.72 -4.93 113.70 111.24 2d22 s SER 830 Ca 0.17 2.02 0.09 0.00 0.70 0.00 0.00 55.95 58.93 2d22 s SER 830 Cb -0.08 -2.56 0.14 0.00 -1.71 0.00 0.00 66.02 61.82 2d22 s SER 830 CO 0.21 -1.37 1.06 0.35 1.20 0.00 0.00 173.24 174.69 2d22 n THR 831 N -1.91 1.40 -2.70 6.45 -2.24 -1.26 -4.90 114.28 109.11 2d22 n THR 831 Ca 0.10 -1.59 -0.42 0.00 -2.27 0.00 0.00 64.05 59.87 2d22 n THR 831 Cb 0.52 0.14 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 2d22 n THR 831 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2d22 s THR 832 N -1.89 4.81 0.34 4.28 2.01 -1.26 -5.00 115.64 118.92 2d22 s THR 832 Ca 0.16 2.04 -0.29 0.00 0.31 0.00 0.00 61.69 63.91 2d22 s THR 832 Cb 0.14 -4.31 -0.11 0.00 0.01 0.00 0.00 72.50 68.22 2d22 s THR 832 CO 0.01 0.04 1.51 0.47 -0.69 0.00 0.00 174.62 175.97 2d22 n ASP 833 N 4.77 3.71 0.00 3.53 8.00 -1.26 -2.35 116.55 132.95 2d22 n ASP 833 Ca 0.08 1.19 0.00 0.00 0.71 0.00 0.00 54.79 56.77 2d22 n ASP 833 Cb 0.49 -1.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.00 2d22 n ASP 833 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2d22 n GLY 834 N 1.18 0.53 3.66 0.44 0.00 -0.12 -5.01 105.19 105.87 2d22 n GLY 834 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2d22 n GLY 834 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d22 s THR 835 N -2.23 4.37 0.20 2.61 2.01 -0.99 -4.83 115.64 116.78 2d22 s THR 835 Ca 0.00 1.64 -0.30 0.00 0.31 0.00 0.00 61.69 63.35 2d22 s THR 835 Cb 0.00 -4.11 -0.08 0.00 0.01 0.00 0.00 72.50 68.32 2d22 s THR 835 CO 0.00 -0.20 1.14 -1.58 -0.69 0.00 0.00 174.62 173.29 2d22 s GLN 836 N 3.52 4.56 0.70 4.92 0.74 -1.26 -1.85 119.66 130.98 2d22 s GLN 836 Ca 0.52 1.80 -0.11 0.00 0.05 0.00 0.00 55.36 57.62 2d22 s GLN 836 Cb -0.19 -3.25 0.01 0.00 1.10 0.00 0.00 33.01 30.68 2d22 s GLN 836 CO 0.14 0.03 1.08 0.14 -0.55 0.00 0.00 175.29 176.12 2d22 s VAL 837 N -0.32 3.70 0.27 1.34 -7.23 -0.19 -4.49 120.40 113.49 2d22 s VAL 837 Ca 0.50 0.55 0.01 0.00 -1.81 0.00 0.00 61.98 61.23 2d22 s VAL 837 Cb -0.31 -3.51 -0.00 0.00 0.56 0.00 0.00 36.38 33.12 2d22 s VAL 837 CO 0.37 -0.72 0.33 0.00 -0.31 0.00 0.00 175.10 174.77 2d22 n GLN 838 N -3.01 0.48 -4.01 4.82 10.64 -0.16 -2.01 117.38 124.13 2d22 n GLN 838 Ca 0.07 -2.37 -0.36 0.00 -1.83 0.00 0.00 57.00 52.50 2d22 n GLN 838 Cb 0.56 2.16 -0.07 0.00 -0.86 0.00 0.00 30.24 32.03 2d22 n GLN 838 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2d22 s LEU 839 N 0.00 4.16 0.14 2.61 1.43 0.11 -0.37 118.68 126.76 2d22 s LEU 839 Ca 0.26 0.37 -0.20 0.00 -1.03 0.00 0.00 54.13 53.53 2d22 s LEU 839 Cb -0.00 -2.00 0.05 0.00 0.03 0.00 0.00 46.19 44.27 2d22 s LEU 839 CO 0.19 0.40 0.51 -0.47 0.23 0.00 0.00 176.35 177.21 2d22 s TYR 840 N -0.95 -0.40 -0.06 0.29 5.04 -0.69 -2.13 117.35 118.45 2d22 s TYR 840 Ca 0.14 0.15 -0.35 0.00 -2.44 0.00 0.00 57.07 54.58 2d22 s TYR 840 Cb -0.12 0.43 -0.13 0.00 0.35 0.00 0.00 41.96 42.49 2d22 s TYR 840 CO 0.03 -0.78 1.77 -0.25 -1.34 0.00 0.00 175.55 174.99 2d22 n ASP 841 N -0.28 3.12 -4.77 4.32 8.00 -1.26 -0.41 116.55 125.27 2d22 n ASP 841 Ca -0.17 1.02 -0.41 0.00 0.71 0.00 0.00 54.79 55.95 2d22 n ASP 841 Cb 0.64 -1.34 -0.00 0.00 -0.02 0.00 0.00 41.12 40.40 2d22 n ASP 841 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2d22 s HIS 843 N -1.16 -0.20 -0.61 0.00 -3.43 -1.26 -5.04 115.29 103.59 2d22 s HIS 843 Ca 0.53 0.23 -0.26 0.00 -0.80 0.00 0.00 55.06 54.77 2d22 s HIS 843 Cb -0.43 0.50 -0.11 0.00 -1.43 0.00 0.00 32.58 31.11 2d22 s HIS 843 CO 0.57 -0.25 2.43 0.45 -2.00 0.00 0.00 174.74 175.95 2d22 n SER 844 N 0.22 1.95 -3.64 7.38 2.88 -1.26 -4.86 113.62 116.30 2d22 n SER 844 Ca -0.04 -0.71 -0.15 0.00 -1.33 0.00 0.00 58.87 56.65 2d22 n SER 844 Cb 0.59 -1.53 -0.08 0.00 -0.75 0.00 0.00 64.21 62.44 2d22 n SER 844 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2d22 s ALA 845 N 12.36 -1.46 0.31 -1.46 0.00 -1.26 -5.05 121.76 125.20 2d22 s ALA 845 Ca 1.01 1.35 0.15 0.00 0.00 0.00 0.00 51.96 54.46 2d22 s ALA 845 Cb -0.26 -0.49 0.68 0.00 0.00 0.00 0.00 23.12 23.05 2d22 s ALA 845 CO 0.24 -0.31 1.78 1.79 0.00 0.00 0.00 175.76 179.26 2d22 h THR 846 N 3.76 1.18 0.00 0.00 1.35 -1.95 -2.60 112.91 114.64 2d22 h THR 846 Ca -0.28 -1.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.11 2d22 h THR 846 Cb 1.16 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 2d22 h THR 846 CO 0.26 0.40 0.00 -0.46 -0.25 0.00 0.00 175.52 175.47 2d22 n ASN 847 N -3.87 0.00 0.00 5.36 6.94 -1.26 -4.41 115.26 118.02 2d22 n ASN 847 Ca -0.01 -0.69 0.00 0.00 -0.02 0.00 0.00 54.58 53.85 2d22 n ASN 847 Cb 0.46 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 2d22 n ASN 847 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2d22 n GLN 848 N -0.67 2.57 -2.78 -3.83 6.02 -0.98 -1.21 117.38 116.51 2d22 n GLN 848 Ca 0.03 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.01 2d22 n GLN 848 Cb 0.02 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.26 2d22 n GLN 848 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2d22 n GLN 849 N 0.00 -3.21 -4.26 -1.09 6.02 -1.24 -4.84 117.38 108.76 2d22 n GLN 849 Ca 0.00 2.59 -0.32 0.00 -0.01 0.00 0.00 57.00 59.26 2d22 n GLN 849 Cb 0.00 -4.36 -0.09 0.00 1.02 0.00 0.00 30.24 26.81 2d22 n GLN 849 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2d22 s TRP 850 N -1.17 3.02 -0.19 1.08 0.52 0.39 -4.62 118.94 117.97 2d22 s TRP 850 Ca -0.08 0.03 -0.02 0.00 0.02 0.00 0.00 56.10 56.05 2d22 s TRP 850 Cb 0.01 -1.62 -0.00 0.00 -1.15 0.00 0.00 33.47 30.70 2d22 s TRP 850 CO 0.62 0.45 -0.11 0.99 0.02 0.00 0.00 176.95 178.93 2d22 s THR 851 N -1.14 2.91 -0.31 2.01 2.01 0.04 -2.24 115.64 118.93 2d22 s THR 851 Ca 0.21 -0.66 -0.22 0.00 0.31 0.00 0.00 61.69 61.33 2d22 s THR 851 Cb -0.12 -2.28 -0.00 0.00 0.01 0.00 0.00 72.50 70.11 2d22 s THR 851 CO 0.12 0.48 0.72 -0.47 -0.69 0.00 0.00 174.62 174.78 2d22 s TYR 852 N 1.18 3.20 0.60 4.92 5.04 -1.26 -0.70 117.35 130.34 2d22 s TYR 852 Ca 0.02 0.70 -0.01 0.00 -2.44 0.00 0.00 57.07 55.34 2d22 s TYR 852 Cb -0.14 -3.12 0.05 0.00 0.35 0.00 0.00 41.96 39.09 2d22 s TYR 852 CO -0.04 -0.53 0.85 0.95 -1.34 0.00 0.00 175.55 175.44 2d22 s THR 853 N 2.81 2.52 0.41 4.34 -4.23 -0.46 -4.95 115.64 116.07 2d22 s THR 853 Ca 0.29 -0.56 0.34 0.00 -1.18 0.00 0.00 61.69 60.58 2d22 s THR 853 Cb -0.14 -2.96 0.37 0.00 1.34 0.00 0.00 72.50 71.10 2d22 s THR 853 CO 0.12 0.00 2.14 0.44 -0.54 0.00 0.00 174.62 176.79 2d22 h ASP 854 N -0.15 0.00 0.58 3.99 3.32 -1.96 -1.44 116.42 120.77 2d22 h ASP 854 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2d22 h ASP 854 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2d22 h ASP 854 CO 0.53 0.05 -0.24 0.00 -1.72 0.00 0.00 179.24 177.87 2d22 n ALA 855 N -2.17 2.96 -0.19 3.45 0.00 -1.26 -2.46 120.51 120.84 2d22 n ALA 855 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2d22 n ALA 855 Cb 0.20 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2d22 n ALA 855 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d22 n GLY 856 N 1.43 0.90 3.90 0.00 0.00 -0.54 -4.79 105.19 106.09 2d22 n GLY 856 Ca 0.09 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 2d22 n GLY 856 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2d22 s GLU 857 N -0.73 3.61 -0.45 1.61 2.02 -1.26 0.29 118.70 123.78 2d22 s GLU 857 Ca 0.00 0.23 0.01 0.00 0.02 0.00 0.00 54.97 55.23 2d22 s GLU 857 Cb 0.00 -2.41 0.12 0.00 0.10 0.00 0.00 34.13 31.94 2d22 s GLU 857 CO 0.00 -0.12 0.21 -0.51 0.02 0.00 0.00 175.26 174.86 2d22 s LEU 858 N -4.41 4.89 0.25 1.80 1.43 -1.26 -1.36 118.68 120.03 2d22 s LEU 858 Ca 0.48 -2.44 -0.09 0.00 -1.03 0.00 0.00 54.13 51.05 2d22 s LEU 858 Cb -0.10 -1.73 -0.07 0.00 0.03 0.00 0.00 46.19 44.32 2d22 s LEU 858 CO 0.40 -0.39 0.56 -0.13 0.23 0.00 0.00 176.35 177.02 2d22 s ARG 859 N 0.53 3.77 -0.01 1.70 0.52 0.12 -1.10 118.95 124.47 2d22 s ARG 859 Ca 0.13 0.23 -0.03 0.00 -0.52 0.00 0.00 55.73 55.54 2d22 s ARG 859 Cb -0.22 -2.63 0.00 0.00 0.52 0.00 0.00 34.95 32.62 2d22 s ARG 859 CO -0.04 0.28 0.07 0.54 0.02 0.00 0.00 175.30 176.16 2d22 s VAL 860 N -1.90 0.03 0.00 3.52 0.11 -0.30 -0.78 120.40 121.09 2d22 s VAL 860 Ca 0.47 -0.29 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 2d22 s VAL 860 Cb -0.11 -0.20 0.00 0.00 -1.53 0.00 0.00 36.38 34.54 2d22 s VAL 860 CO 0.23 -0.16 0.00 -1.22 -3.33 0.00 0.00 175.10 170.63 2d22 n TYR 861 N 2.50 0.00 0.00 1.54 4.01 -1.26 -2.06 117.16 121.89 2d22 n TYR 861 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 2d22 n TYR 861 Cb 0.58 -0.75 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 2d22 n TYR 861 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2d22 n GLY 862 N -2.00 3.05 0.29 2.72 0.00 -1.26 -4.73 105.19 103.26 2d22 n GLY 862 Ca 0.00 -0.85 0.04 0.00 0.00 0.00 0.00 46.02 45.21 2d22 n GLY 862 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2d22 n ASP 863 N 1.28 1.06 -4.63 1.61 2.03 -1.24 -5.03 116.55 111.62 2d22 n ASP 863 Ca 0.00 -2.45 -0.33 0.00 0.52 0.00 0.00 54.79 52.52 2d22 n ASP 863 Cb 0.00 -0.29 -0.10 0.00 -0.72 0.00 0.00 41.12 40.01 2d22 n ASP 863 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2d22 s LYS 864 N -1.27 2.75 0.03 -0.67 -0.14 -0.87 -2.65 119.74 116.91 2d22 s LYS 864 Ca 0.14 -0.59 0.09 0.00 -1.36 0.00 0.00 55.97 54.25 2d22 s LYS 864 Cb 0.12 -2.63 -0.03 0.00 -1.68 0.00 0.00 37.83 33.62 2d22 s LYS 864 CO 0.01 0.64 -0.25 0.00 -0.76 0.00 0.00 175.35 174.99 2d22 s LEU 866 N -1.08 4.36 -0.01 0.00 2.96 -0.26 -1.47 118.68 123.18 2d22 s LEU 866 Ca 0.11 2.47 0.04 0.00 -0.22 0.00 0.00 54.13 56.53 2d22 s LEU 866 Cb -0.10 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.02 2d22 s LEU 866 CO 0.01 -0.89 -0.14 -0.62 -1.32 0.00 0.00 176.35 173.39 2d22 s ASP 867 N 2.52 1.59 -0.23 3.68 -1.08 0.39 -4.44 116.67 119.10 2d22 s ASP 867 Ca 0.74 -0.25 -0.06 0.00 -0.52 0.00 0.00 52.55 52.46 2d22 s ASP 867 Cb -0.39 -0.18 -0.02 0.00 -1.46 0.00 0.00 42.92 40.87 2d22 s ASP 867 CO 0.32 0.16 0.03 0.00 0.52 0.00 0.00 175.17 176.21 2d22 s ALA 868 N -0.33 3.07 -0.15 3.66 0.00 -0.69 -0.11 121.76 127.21 2d22 s ALA 868 Ca 0.05 -1.09 0.30 0.00 0.00 0.00 0.00 51.96 51.22 2d22 s ALA 868 Cb -0.05 -1.93 1.13 0.00 0.00 0.00 0.00 23.12 22.27 2d22 s ALA 868 CO -0.00 -0.38 1.86 0.00 0.00 0.00 0.00 175.76 177.24 2d22 h ALA 869 N 7.99 1.00 -2.73 0.00 0.00 -1.87 -3.47 119.26 120.19 2d22 h ALA 869 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2d22 h ALA 869 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2d22 h ALA 869 CO 0.59 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.25 2d22 n GLY 870 N 0.22 3.56 0.00 0.00 0.00 -1.26 -5.04 105.19 102.68 2d22 n GLY 870 Ca 0.02 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.70 2d22 n GLY 870 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2d22 n THR 871 N 0.00 0.00 -2.70 2.61 -2.24 -1.26 -4.86 114.28 105.83 2d22 n THR 871 Ca 0.00 -0.44 -0.21 0.00 -2.27 0.00 0.00 64.05 61.13 2d22 n THR 871 Cb 0.00 1.01 0.05 0.00 -2.10 0.00 0.00 70.33 69.29 2d22 n THR 871 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2d22 s GLY 872 N -0.83 1.82 0.50 3.38 0.00 -1.26 -4.80 107.32 106.14 2d22 s GLY 872 Ca 0.00 -1.52 -0.23 0.00 0.00 0.00 0.00 44.72 42.96 2d22 s GLY 872 CO 0.00 -1.17 1.38 0.70 0.00 0.00 0.00 173.10 174.02 2d22 n ASN 873 N -2.40 2.94 0.00 1.64 3.02 -1.26 -2.20 115.26 117.00 2d22 n ASN 873 Ca 0.10 1.04 0.00 0.00 -0.03 0.00 0.00 54.58 55.69 2d22 n ASN 873 Cb 0.60 -1.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.19 2d22 n ASN 873 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d22 n GLY 874 N 0.69 1.45 3.72 7.41 0.00 0.29 -4.98 105.19 113.77 2d22 n GLY 874 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2d22 n GLY 874 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2d22 n THR 875 N -2.00 0.90 -2.32 2.61 -1.04 -0.93 -4.69 114.28 106.80 2d22 n THR 875 Ca 0.00 -0.22 -0.42 0.00 -2.04 0.00 0.00 64.05 61.37 2d22 n THR 875 Cb 0.00 -1.79 -0.03 0.00 -1.82 0.00 0.00 70.33 66.69 2d22 n THR 875 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2d22 s LYS 876 N -0.32 4.39 -0.30 -2.82 2.20 -1.26 -0.96 119.74 120.68 2d22 s LYS 876 Ca 0.67 1.89 -0.11 0.00 -0.36 0.00 0.00 55.97 58.05 2d22 s LYS 876 Cb -0.55 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.42 2d22 s LYS 876 CO 0.47 -0.32 0.20 0.08 -0.36 0.00 0.00 175.35 175.42 2d22 s VAL 877 N 1.05 5.25 0.06 4.02 1.01 -1.06 -2.90 120.40 127.82 2d22 s VAL 877 Ca 0.61 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.63 2d22 s VAL 877 Cb -0.32 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.50 2d22 s VAL 877 CO 0.30 0.18 0.03 0.00 0.00 0.00 0.00 175.10 175.60 2d22 n GLN 878 N 5.07 0.66 -4.31 2.72 10.64 0.85 -1.03 117.38 131.98 2d22 n GLN 878 Ca -0.14 -0.51 -0.31 0.00 -1.83 0.00 0.00 57.00 54.21 2d22 n GLN 878 Cb 0.51 0.31 -0.09 0.00 -0.86 0.00 0.00 30.24 30.11 2d22 n GLN 878 CO 0.00 0.00 0.00 0.96 -1.83 0.00 0.00 177.06 176.19 2d22 s ILE 879 N -1.88 3.77 0.07 -0.39 -4.36 -0.77 0.15 121.20 117.79 2d22 s ILE 879 Ca 0.04 -0.89 -0.24 0.00 -0.26 0.00 0.00 60.65 59.30 2d22 s ILE 879 Cb 0.00 -2.71 0.06 0.00 1.25 0.00 0.00 42.46 41.07 2d22 s ILE 879 CO 0.03 0.27 0.59 -0.47 0.24 0.00 0.00 174.94 175.60 2d22 s TYR 880 N -1.13 -0.52 0.25 1.37 5.04 -0.54 -0.95 117.35 120.87 2d22 s TYR 880 Ca 0.20 0.55 -0.31 0.00 -2.44 0.00 0.00 57.07 55.08 2d22 s TYR 880 Cb -0.11 0.44 -0.13 0.00 0.35 0.00 0.00 41.96 42.51 2d22 s TYR 880 CO 0.12 -0.72 1.40 0.43 -1.34 0.00 0.00 175.55 175.44 2d22 n SER 881 N 0.19 2.78 -4.72 4.32 7.64 -1.26 0.15 113.62 122.73 2d22 n SER 881 Ca -0.18 1.15 -0.42 0.00 1.01 0.00 0.00 58.87 60.43 2d22 n SER 881 Cb 0.61 -1.44 -0.03 0.00 -1.01 0.00 0.00 64.21 62.35 2d22 n SER 881 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d22 n TRP 883 N 3.74 0.00 -0.31 0.00 4.27 -1.26 -5.04 117.44 118.84 2d22 n TRP 883 Ca 0.10 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.71 2d22 n TRP 883 Cb 0.44 0.01 0.00 0.00 -1.36 0.00 0.00 31.31 30.40 2d22 n TRP 883 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2d22 n GLY 884 N 0.00 0.77 3.76 -1.67 0.00 -1.26 -5.07 105.19 101.72 2d22 n GLY 884 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2d22 n GLY 884 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2d22 s GLY 885 N -1.73 2.70 0.41 -0.02 0.00 -1.26 -4.89 107.32 102.53 2d22 s GLY 885 Ca 0.00 0.97 0.29 0.00 0.00 0.00 0.00 44.72 45.98 2d22 s GLY 885 CO 0.00 1.36 1.88 -0.55 0.00 0.00 0.00 173.10 175.78 2d22 h ASP 886 N 0.88 0.00 -0.02 1.64 3.32 -1.97 -0.31 116.42 119.96 2d22 h ASP 886 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2d22 h ASP 886 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2d22 h ASP 886 CO 0.55 0.00 0.00 -0.46 -1.72 0.00 0.00 179.24 177.61 2d22 n ASN 887 N -2.61 0.21 -0.02 6.45 6.94 -1.26 -2.39 115.26 122.58 2d22 n ASN 887 Ca 0.00 -1.38 0.03 0.00 -0.02 0.00 0.00 54.58 53.22 2d22 n ASN 887 Cb 0.19 -0.01 0.04 0.00 -2.36 0.00 0.00 39.78 37.64 2d22 n ASN 887 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2d22 n GLN 888 N -0.69 2.50 -4.85 -3.83 6.02 -0.13 -1.71 117.38 114.69 2d22 n GLN 888 Ca 0.16 -1.81 -0.32 0.00 -0.01 0.00 0.00 57.00 55.01 2d22 n GLN 888 Cb 0.11 -1.15 -0.13 0.00 1.02 0.00 0.00 30.24 30.09 2d22 n GLN 888 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2d22 s LYS 889 N -1.55 2.44 0.04 -1.09 1.02 -1.00 -4.17 119.74 115.44 2d22 s LYS 889 Ca 0.09 -0.74 0.01 0.00 0.02 0.00 0.00 55.97 55.36 2d22 s LYS 889 Cb 0.08 -2.35 -0.03 0.00 -0.52 0.00 0.00 37.83 35.01 2d22 s LYS 889 CO 0.01 0.61 -0.06 -1.58 -0.92 0.00 0.00 175.35 173.41 2d22 s TRP 890 N -0.77 0.54 -0.16 3.18 0.52 0.15 -1.13 118.94 121.27 2d22 s TRP 890 Ca 0.12 -0.60 -0.01 0.00 0.02 0.00 0.00 56.10 55.63 2d22 s TRP 890 Cb -0.11 -0.34 -0.01 0.00 -1.15 0.00 0.00 33.47 31.86 2d22 s TRP 890 CO 0.01 -0.15 -0.11 1.03 0.02 0.00 0.00 176.95 177.76 2d22 s ARG 891 N -1.95 3.38 -0.72 4.98 0.52 0.46 -4.73 118.95 120.89 2d22 s ARG 891 Ca -0.09 -0.67 -0.19 0.00 -0.52 0.00 0.00 55.73 54.27 2d22 s ARG 891 Cb -0.07 -2.74 0.12 0.00 0.52 0.00 0.00 34.95 32.78 2d22 s ARG 891 CO -0.01 0.10 0.85 -0.51 0.02 0.00 0.00 175.30 175.74 2d22 s LEU 892 N 0.67 5.40 0.57 2.53 1.43 -1.26 -1.52 118.68 126.50 2d22 s LEU 892 Ca -0.06 -1.73 -0.18 0.00 -1.03 0.00 0.00 54.13 51.13 2d22 s LEU 892 Cb -0.15 -2.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 2d22 s LEU 892 CO 0.02 -1.06 1.11 0.20 0.23 0.00 0.00 176.35 176.85 2d22 s ASN 893 N 3.42 5.66 0.54 2.29 0.01 -0.24 -4.93 114.94 121.69 2d22 s ASN 893 Ca 0.19 2.07 0.25 0.00 -0.71 0.00 0.00 52.86 54.66 2d22 s ASN 893 Cb -0.16 -2.57 1.53 0.00 0.41 0.00 0.00 41.25 40.46 2d22 s ASN 893 CO 0.00 -1.26 2.16 0.77 -1.51 0.00 0.00 177.10 177.27 2d22 h SER 894 N 0.91 0.00 0.00 -1.22 4.64 -1.96 -1.54 113.55 114.38 2d22 h SER 894 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2d22 h SER 894 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2d22 h SER 894 CO 0.57 0.06 0.00 -0.90 -0.87 0.00 0.00 176.83 175.68 2d22 n ASP 895 N -3.97 0.00 0.00 4.97 5.75 -1.26 -4.84 116.55 117.20 2d22 n ASP 895 Ca -0.03 -1.19 0.00 0.00 -0.01 0.00 0.00 54.79 53.56 2d22 n ASP 895 Cb 0.14 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 2d22 n ASP 895 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2d22 n GLY 896 N 0.53 0.76 3.87 6.12 0.00 -0.58 -4.85 105.19 111.04 2d22 n GLY 896 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2d22 n GLY 896 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d22 s SER 897 N -3.00 6.55 -0.23 1.61 1.04 -1.25 0.20 113.70 118.63 2d22 s SER 897 Ca 0.00 1.09 0.02 0.00 0.48 0.00 0.00 55.95 57.53 2d22 s SER 897 Cb 0.00 -2.30 0.05 0.00 0.10 0.00 0.00 66.02 63.87 2d22 s SER 897 CO 0.00 -0.32 -0.11 -0.63 0.98 0.00 0.00 173.24 173.16 2d22 s ILE 898 N -2.24 1.88 -0.09 -1.02 1.01 -1.26 -1.08 121.20 118.40 2d22 s ILE 898 Ca 0.50 -1.28 -0.01 0.00 0.00 0.00 0.00 60.65 59.86 2d22 s ILE 898 Cb -0.10 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 2d22 s ILE 898 CO 0.28 0.09 -0.02 -0.69 0.00 0.00 0.00 174.94 174.61 2d22 s VAL 899 N 1.27 4.13 0.04 2.92 1.01 -0.57 -1.27 120.40 127.93 2d22 s VAL 899 Ca -0.04 -0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 2d22 s VAL 899 Cb -0.18 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 2d22 s VAL 899 CO -0.07 0.59 1.05 -0.83 0.00 0.00 0.00 175.10 175.84 2d22 s GLY 900 N -0.72 2.77 0.10 4.51 0.00 0.35 -0.40 107.32 113.92 2d22 s GLY 900 Ca 0.11 0.65 -0.24 0.00 0.00 0.00 0.00 44.72 45.25 2d22 s GLY 900 CO 0.02 1.77 1.72 -2.08 0.00 0.00 0.00 173.10 174.52 2d22 h VAL 901 N 4.58 0.87 -0.46 1.40 2.07 -1.28 0.47 116.25 123.90 2d22 h VAL 901 Ca -0.42 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 2d22 h VAL 901 Cb 1.22 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 2d22 h VAL 901 CO 0.76 0.00 0.07 -0.61 0.02 0.00 0.00 177.57 177.81 2d22 h GLN 902 N -0.11 0.76 0.04 1.57 4.15 -1.75 -3.32 115.11 116.45 2d22 h GLN 902 Ca 0.01 -0.21 -0.29 0.00 0.77 0.00 0.00 58.65 58.93 2d22 h GLN 902 Cb 0.12 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.69 2d22 h GLN 902 CO -0.03 0.78 -1.62 0.66 -1.93 0.00 0.00 178.83 176.69 2d22 h SER 903 N 0.63 0.12 -0.01 -0.69 4.64 -1.85 -3.48 113.55 112.90 2d22 h SER 903 Ca 0.14 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 2d22 h SER 903 Cb 0.40 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 2d22 h SER 903 CO 0.01 1.19 -0.01 0.61 -0.87 0.00 0.00 176.83 177.76 2d22 n GLY 904 N 1.60 0.44 3.91 -0.77 0.00 0.16 -5.00 105.19 105.54 2d22 n GLY 904 Ca -0.16 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 2d22 n GLY 904 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d22 s LEU 905 N -0.06 4.15 0.19 0.99 1.43 -1.25 -4.74 118.68 119.39 2d22 s LEU 905 Ca 0.00 0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.06 2d22 s LEU 905 Cb 0.00 -2.71 -0.06 0.00 0.03 0.00 0.00 46.19 43.45 2d22 s LEU 905 CO 0.00 -0.01 0.44 0.00 0.23 0.00 0.00 176.35 177.01 2d22 s LEU 907 N -2.95 4.35 -0.04 0.00 1.43 -0.39 -1.59 118.68 119.49 2d22 s LEU 907 Ca 0.42 2.35 0.03 0.00 -1.03 0.00 0.00 54.13 55.89 2d22 s LEU 907 Cb -0.12 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.54 2d22 s LEU 907 CO 0.26 -0.79 -0.10 -0.62 0.23 0.00 0.00 176.35 175.33 2d22 s ASP 908 N 1.90 1.44 -0.57 2.29 -1.08 0.16 -4.41 116.67 116.40 2d22 s ASP 908 Ca 0.69 -0.23 -0.26 0.00 -0.52 0.00 0.00 52.55 52.22 2d22 s ASP 908 Cb -0.37 -0.50 0.03 0.00 -1.46 0.00 0.00 42.92 40.63 2d22 s ASP 908 CO 0.30 0.06 1.09 0.00 0.52 0.00 0.00 175.17 177.13 2d22 s ALA 909 N 0.37 3.07 0.03 3.66 0.00 -0.93 -0.34 121.76 127.62 2d22 s ALA 909 Ca -0.07 -0.99 -0.29 0.00 0.00 0.00 0.00 51.96 50.60 2d22 s ALA 909 Cb -0.11 -3.91 -0.15 0.00 0.00 0.00 0.00 23.12 18.95 2d22 s ALA 909 CO 0.01 -2.54 0.75 0.28 0.00 0.00 0.00 175.76 174.27 2d22 n VAL 910 N 6.47 0.33 -1.01 0.00 0.31 -0.81 0.01 118.33 123.63 2d22 n VAL 910 Ca 0.06 -0.08 -0.06 0.00 -0.01 0.00 0.00 64.34 64.24 2d22 n VAL 910 Cb 0.48 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.39 2d22 n VAL 910 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2d22 n GLY 911 N 1.26 0.61 2.29 2.92 0.00 -1.26 -0.78 105.19 110.24 2d22 n GLY 911 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 2d22 n GLY 911 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d22 n GLY 912 N 0.27 0.58 3.72 -0.02 0.00 0.10 -4.97 105.19 104.86 2d22 n GLY 912 Ca -0.06 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 2d22 n GLY 912 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2d22 s GLY 913 N -2.66 2.46 0.00 -0.02 0.00 0.04 -4.95 107.32 102.19 2d22 s GLY 913 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 44.72 45.71 2d22 s GLY 913 CO 0.00 1.41 0.02 -1.30 0.00 0.00 0.00 173.10 173.23 2d22 n THR 914 N -2.65 0.00 -2.66 0.90 -2.24 -1.26 -4.86 114.28 101.51 2d22 n THR 914 Ca 0.14 -0.24 -0.25 0.00 -2.27 0.00 0.00 64.05 61.43 2d22 n THR 914 Cb 0.50 1.05 0.02 0.00 -2.10 0.00 0.00 70.33 69.79 2d22 n THR 914 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2d22 s ALA 915 N -0.44 3.52 0.34 6.98 0.00 -1.26 -4.75 121.76 126.14 2d22 s ALA 915 Ca 0.00 -0.87 -0.29 0.00 0.00 0.00 0.00 51.96 50.80 2d22 s ALA 915 Cb 0.00 -2.38 -0.12 0.00 0.00 0.00 0.00 23.12 20.62 2d22 s ALA 915 CO 0.00 -0.61 1.45 0.09 0.00 0.00 0.00 175.76 176.69 2d22 n ASN 916 N -2.35 3.45 0.00 0.00 3.02 -1.26 -2.22 115.26 115.89 2d22 n ASN 916 Ca 0.03 1.20 0.00 0.00 -0.03 0.00 0.00 54.58 55.78 2d22 n ASN 916 Cb 0.58 -1.56 0.00 0.00 -0.61 0.00 0.00 39.78 38.18 2d22 n ASN 916 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d22 n GLY 917 N 1.05 2.72 3.66 7.41 0.00 -0.91 -5.02 105.19 114.11 2d22 n GLY 917 Ca 0.05 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 2d22 n GLY 917 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2d22 n THR 918 N -1.83 0.66 -1.63 2.61 -1.04 -0.94 -4.76 114.28 107.34 2d22 n THR 918 Ca 0.00 -0.14 -0.31 0.00 -2.04 0.00 0.00 64.05 61.56 2d22 n THR 918 Cb 0.00 -2.11 0.04 0.00 -1.82 0.00 0.00 70.33 66.44 2d22 n THR 918 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2d22 s LEU 919 N 4.50 3.12 -0.09 -4.42 1.43 -1.26 -0.71 118.68 121.24 2d22 s LEU 919 Ca 0.92 1.55 0.00 0.00 -1.03 0.00 0.00 54.13 55.57 2d22 s LEU 919 Cb -0.56 -4.45 -0.03 0.00 0.03 0.00 0.00 46.19 41.19 2d22 s LEU 919 CO 0.47 -1.36 -0.09 -0.63 0.23 0.00 0.00 176.35 174.96 2d22 s ILE 920 N -3.08 3.48 0.28 -0.59 -1.09 -0.85 -1.91 121.20 117.43 2d22 s ILE 920 Ca 0.58 -0.54 0.06 0.00 -2.23 0.00 0.00 60.65 58.52 2d22 s ILE 920 Cb -0.13 -2.44 -0.02 0.00 -1.58 0.00 0.00 42.46 38.28 2d22 s ILE 920 CO 0.55 0.56 0.23 0.00 -1.23 0.00 0.00 174.94 175.05 2d22 n GLN 921 N 2.74 0.36 -4.08 2.79 10.64 0.54 -2.58 117.38 127.79 2d22 n GLN 921 Ca -0.18 -2.76 -0.36 0.00 -1.83 0.00 0.00 57.00 51.88 2d22 n GLN 921 Cb 0.53 2.22 -0.08 0.00 -0.86 0.00 0.00 30.24 32.04 2d22 n GLN 921 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2d22 s LEU 922 N 0.00 3.98 -0.05 2.61 1.43 -0.13 0.38 118.68 126.91 2d22 s LEU 922 Ca 0.32 0.27 -0.26 0.00 -1.03 0.00 0.00 54.13 53.44 2d22 s LEU 922 Cb 0.02 -1.96 0.06 0.00 0.03 0.00 0.00 46.19 44.33 2d22 s LEU 922 CO 0.23 0.35 0.56 -0.47 0.23 0.00 0.00 176.35 177.25 2d22 s TYR 923 N -0.68 -0.51 -0.02 0.29 5.04 -0.62 -0.54 117.35 120.31 2d22 s TYR 923 Ca 0.12 0.88 -0.38 0.00 -2.44 0.00 0.00 57.07 55.26 2d22 s TYR 923 Cb -0.12 0.31 -0.16 0.00 0.35 0.00 0.00 41.96 42.33 2d22 s TYR 923 CO 0.02 -0.53 1.47 0.43 -1.34 0.00 0.00 175.55 175.60 2d22 n SER 924 N 1.10 1.91 -4.72 4.32 7.64 -1.26 -1.20 113.62 121.40 2d22 n SER 924 Ca -0.20 1.10 -0.42 0.00 1.01 0.00 0.00 58.87 60.36 2d22 n SER 924 Cb 0.57 -1.18 -0.01 0.00 -1.01 0.00 0.00 64.21 62.57 2d22 n SER 924 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2d22 n SER 926 N 1.19 0.00 -0.09 0.00 3.41 -1.26 -4.99 113.62 111.88 2d22 n SER 926 Ca 0.06 -1.00 -0.01 0.00 -0.26 0.00 0.00 58.87 57.66 2d22 n SER 926 Cb 0.36 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.30 2d22 n SER 926 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2d22 n ASN 927 N 0.00 -5.71 -4.71 4.04 4.13 -1.26 -4.94 115.26 106.80 2d22 n ASN 927 Ca 0.00 0.03 -0.31 0.00 1.68 0.00 0.00 54.58 55.98 2d22 n ASN 927 Cb 0.48 -3.32 0.14 0.00 -1.54 0.00 0.00 39.78 35.54 2d22 n ASN 927 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2d22 s GLY 928 N -2.05 1.68 0.57 7.41 0.00 -1.26 -4.89 107.32 108.77 2d22 s GLY 928 Ca 0.00 0.44 0.35 0.00 0.00 0.00 0.00 44.72 45.51 2d22 s GLY 928 CO 0.00 0.83 2.07 1.48 0.00 0.00 0.00 173.10 177.49 2d22 h SER 929 N -1.57 0.00 -0.06 1.64 4.64 -1.92 -1.96 113.55 114.33 2d22 h SER 929 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2d22 h SER 929 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2d22 h SER 929 CO 0.46 0.03 0.00 -0.46 -0.87 0.00 0.00 176.83 175.99 2d22 n ASN 930 N -3.18 0.86 0.00 4.97 6.94 -1.26 -3.16 115.26 120.43 2d22 n ASN 930 Ca -0.01 -1.45 0.00 0.00 -0.02 0.00 0.00 54.58 53.11 2d22 n ASN 930 Cb 0.25 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.64 2d22 n ASN 930 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2d22 n GLN 931 N -0.26 2.01 -4.41 -3.83 6.02 -0.75 -2.20 117.38 113.97 2d22 n GLN 931 Ca 0.18 -1.19 -0.34 0.00 -0.01 0.00 0.00 57.00 55.63 2d22 n GLN 931 Cb 0.22 -0.90 -0.10 0.00 1.02 0.00 0.00 30.24 30.47 2d22 n GLN 931 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2d22 s ARG 932 N -0.70 3.18 0.08 -1.09 3.52 -1.15 -4.16 118.95 118.62 2d22 s ARG 932 Ca 0.00 -0.46 0.02 0.00 -0.13 0.00 0.00 55.73 55.16 2d22 s ARG 932 Cb 0.00 -2.81 -0.04 0.00 -1.56 0.00 0.00 34.95 30.54 2d22 s ARG 932 CO 0.00 0.55 -0.07 -1.58 -0.81 0.00 0.00 175.30 173.39 2d22 s TRP 933 N -0.47 0.81 0.11 5.12 0.52 0.13 -1.08 118.94 124.09 2d22 s TRP 933 Ca 0.08 -0.77 0.05 0.00 0.02 0.00 0.00 56.10 55.48 2d22 s TRP 933 Cb -0.12 -0.48 -0.04 0.00 -1.15 0.00 0.00 33.47 31.69 2d22 s TRP 933 CO 0.02 -0.13 -0.12 0.95 0.02 0.00 0.00 176.95 177.69 2d22 s THR 934 N -2.83 1.14 -0.30 2.01 -4.23 0.16 -4.65 115.64 106.93 2d22 s THR 934 Ca 0.04 -1.69 -0.09 0.00 -1.18 0.00 0.00 61.69 58.77 2d22 s THR 934 Cb -0.00 -1.46 0.16 0.00 1.34 0.00 0.00 72.50 72.54 2d22 s THR 934 CO -0.03 -0.50 0.76 0.00 -0.54 0.00 0.00 174.62 174.31 2d22 s ARG 935 N -2.76 0.47 0.00 3.99 1.70 -1.26 -1.27 118.95 119.81 2d22 s ARG 935 Ca 0.07 1.07 0.00 0.00 -0.47 0.00 0.00 55.73 56.40 2d22 s ARG 935 Cb -0.04 0.63 0.00 0.00 -0.57 0.00 0.00 34.95 34.98 2d22 s ARG 935 CO 0.02 -0.27 0.00 0.25 -1.08 0.00 0.00 175.30 174.21