#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gg4 s SER 503 N 0.00 6.67 -0.00 7.28 0.15 -1.26 -4.13 113.70 122.41 1gg4 s SER 503 Ca 0.00 2.45 -0.12 0.00 0.70 0.00 0.00 55.95 58.98 1gg4 s SER 503 Cb 0.00 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.75 1gg4 s SER 503 CO 0.00 -0.80 0.24 0.54 1.20 0.00 0.00 173.24 174.42 1gg4 s VAL 504 N 1.85 0.07 0.04 4.45 0.11 -1.05 -4.98 120.40 120.90 1gg4 s VAL 504 Ca 0.70 -0.59 0.00 0.00 -2.93 0.00 0.00 61.98 59.16 1gg4 s VAL 504 Cb -0.39 -0.57 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 1gg4 s VAL 504 CO 0.31 -0.33 0.15 0.42 -3.33 0.00 0.00 175.10 172.32 1gg4 s THR 505 N -1.46 5.07 0.50 5.04 -4.23 -1.26 -0.03 115.64 119.27 1gg4 s THR 505 Ca -0.13 -0.46 0.15 0.00 -1.18 0.00 0.00 61.69 60.07 1gg4 s THR 505 Cb -0.06 -3.42 0.28 0.00 1.34 0.00 0.00 72.50 70.63 1gg4 s THR 505 CO 0.03 0.20 2.13 0.25 -0.54 0.00 0.00 174.62 176.68 1gg4 h LEU 506 N 3.41 0.07 -0.73 4.79 5.85 -1.15 -1.43 115.31 126.13 1gg4 h LEU 506 Ca -0.47 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.18 1gg4 h LEU 506 Cb 1.17 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1gg4 h LEU 506 CO 0.70 0.05 -0.32 0.77 -0.34 0.00 0.00 178.44 179.30 1gg4 h SER 507 N 0.08 0.00 -0.02 1.25 4.64 -1.93 -2.62 113.55 114.95 1gg4 h SER 507 Ca 0.04 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.32 1gg4 h SER 507 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1gg4 h SER 507 CO -0.01 0.32 -0.14 1.56 -0.87 0.00 0.00 176.83 177.69 1gg4 h GLN 508 N 0.00 0.12 -1.07 4.77 4.20 -1.68 -3.24 115.11 118.20 1gg4 h GLN 508 Ca -0.00 -0.11 0.30 0.00 0.06 0.00 0.00 58.65 58.90 1gg4 h GLN 508 Cb 0.96 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.72 1gg4 h GLN 508 CO 0.04 0.81 0.76 -0.07 -0.67 0.00 0.00 178.83 179.70 1gg4 h LEU 509 N -0.52 0.10 -0.42 1.46 4.07 -1.14 0.27 115.31 119.13 1gg4 h LEU 509 Ca -0.01 0.02 0.02 0.00 0.08 0.00 0.00 57.88 57.98 1gg4 h LEU 509 Cb 0.84 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.56 1gg4 h LEU 509 CO 0.03 0.02 0.25 0.71 -1.08 0.00 0.00 178.44 178.37 1gg4 h THR 510 N 0.09 1.04 0.58 0.22 1.35 -1.50 0.43 112.91 115.11 1gg4 h THR 510 Ca 0.53 -0.17 -0.03 0.00 -0.55 0.00 0.00 66.41 66.19 1gg4 h THR 510 Cb 1.95 0.50 0.01 0.00 -1.73 0.00 0.00 68.15 68.87 1gg4 h THR 510 CO -0.07 0.09 -0.28 -0.78 -0.25 0.00 0.00 175.52 174.24 1gg4 h ASP 511 N 0.50 -0.66 -0.63 5.36 1.82 -1.12 0.34 116.42 122.03 1gg4 h ASP 511 Ca 0.17 -0.03 0.13 0.00 -0.39 0.00 0.00 57.03 56.91 1gg4 h ASP 511 Cb 0.01 0.17 -0.10 0.00 0.68 0.00 0.00 39.33 40.09 1gg4 h ASP 511 CO -0.08 -0.27 0.05 0.40 -1.61 0.00 0.00 179.24 177.72 1gg4 h ILE 512 N -1.11 0.52 -0.01 2.25 2.04 -1.25 -1.66 117.51 118.29 1gg4 h ILE 512 Ca -0.08 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1gg4 h ILE 512 Cb 0.64 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1gg4 h ILE 512 CO 0.13 0.03 -0.46 0.18 0.00 0.00 0.00 178.15 178.03 1gg4 n LEU 513 N -5.24 1.59 -3.13 1.44 4.77 0.15 -4.89 117.00 111.70 1gg4 n LEU 513 Ca 0.10 -0.56 -0.14 0.00 -0.03 0.00 0.00 56.01 55.37 1gg4 n LEU 513 Cb 0.36 -0.04 0.07 0.00 -2.33 0.00 0.00 43.42 41.48 1gg4 n LEU 513 CO 0.12 0.30 0.06 -3.20 -1.33 0.00 0.00 177.39 173.34 1gg4 n ASN 514 N -0.39 -4.34 -4.10 -1.43 5.15 0.92 -4.92 115.26 106.14 1gg4 n ASN 514 Ca 0.09 -0.60 -0.10 0.00 -0.60 0.00 0.00 54.58 53.38 1gg4 n ASN 514 Cb 0.42 -4.72 -0.10 0.00 -0.53 0.00 0.00 39.78 34.85 1gg4 n ASN 514 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1gg4 s GLY 515 N -3.74 0.56 -0.23 8.20 0.00 0.33 -4.71 107.32 107.73 1gg4 s GLY 515 Ca 0.23 -1.12 -0.23 0.00 0.00 0.00 0.00 44.72 43.60 1gg4 s GLY 515 CO 0.66 -1.21 0.75 1.85 0.00 0.00 0.00 173.10 175.15 1gg4 s GLU 516 N -3.23 4.19 0.02 2.90 2.12 -0.47 -4.40 118.70 119.83 1gg4 s GLU 516 Ca 0.03 0.82 -0.26 0.00 0.36 0.00 0.00 54.97 55.92 1gg4 s GLU 516 Cb 0.02 -3.62 -0.05 0.00 0.26 0.00 0.00 34.13 30.74 1gg4 s GLU 516 CO -0.05 -0.42 0.81 -1.17 -0.54 0.00 0.00 175.26 173.89 1gg4 s LEU 517 N 2.51 4.41 -0.53 2.70 0.20 -1.26 -1.30 118.68 125.42 1gg4 s LEU 517 Ca 0.32 1.47 0.05 0.00 0.69 0.00 0.00 54.13 56.66 1gg4 s LEU 517 Cb -0.16 -3.30 0.17 0.00 -0.43 0.00 0.00 46.19 42.48 1gg4 s LEU 517 CO 0.09 -0.07 0.41 1.67 -0.29 0.00 0.00 176.35 178.16 1gg4 n GLN 518 N 3.22 0.87 -2.59 1.98 7.27 -0.21 -5.00 117.38 122.92 1gg4 n GLN 518 Ca -0.00 -3.70 0.00 0.00 0.07 0.00 0.00 57.00 53.36 1gg4 n GLN 518 Cb 0.50 -1.90 0.00 0.00 2.41 0.00 0.00 30.24 31.25 1gg4 n GLN 518 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1gg4 n GLY 519 N 2.43 -0.50 3.95 1.69 0.00 -1.26 -1.94 105.19 109.55 1gg4 n GLY 519 Ca 0.26 -0.98 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 1gg4 n GLY 519 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gg4 s ALA 520 N -1.00 3.53 0.48 4.61 0.00 -1.26 -4.98 121.76 123.15 1gg4 s ALA 520 Ca 0.00 -1.10 -0.17 0.00 0.00 0.00 0.00 51.96 50.69 1gg4 s ALA 520 Cb 0.00 -2.34 -0.09 0.00 0.00 0.00 0.00 23.12 20.69 1gg4 s ALA 520 CO 0.00 -0.96 0.96 0.34 0.00 0.00 0.00 175.76 176.10 1gg4 s ASP 521 N -4.44 6.71 0.05 0.00 2.15 -1.26 -4.88 116.67 115.00 1gg4 s ASP 521 Ca 0.58 1.58 -0.11 0.00 0.43 0.00 0.00 52.55 55.03 1gg4 s ASP 521 Cb -0.10 -2.51 0.01 0.00 -0.30 0.00 0.00 42.92 40.02 1gg4 s ASP 521 CO 0.42 -0.51 0.24 -0.63 -0.17 0.00 0.00 175.17 174.51 1gg4 s ILE 522 N -2.48 0.11 -0.23 4.11 1.01 -1.26 -4.96 121.20 117.49 1gg4 s ILE 522 Ca 0.59 -0.87 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 1gg4 s ILE 522 Cb -0.10 -1.02 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 1gg4 s ILE 522 CO 0.26 -0.48 0.00 -0.89 0.00 0.00 0.00 174.94 173.83 1gg4 s THR 523 N -2.88 3.78 0.58 2.92 2.01 -1.26 -0.48 115.64 120.31 1gg4 s THR 523 Ca -0.03 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 61.70 1gg4 s THR 523 Cb 0.00 -2.73 0.10 0.00 0.01 0.00 0.00 72.50 69.88 1gg4 s THR 523 CO -0.06 0.40 0.81 0.18 -0.69 0.00 0.00 174.62 175.26 1gg4 n LEU 524 N 4.74 0.00 0.00 4.42 4.77 0.95 -4.94 117.00 126.94 1gg4 n LEU 524 Ca -0.17 -2.41 0.00 0.00 -0.03 0.00 0.00 56.01 53.40 1gg4 n LEU 524 Cb 0.51 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1gg4 n LEU 524 CO 0.30 -0.74 0.00 -0.67 -1.33 0.00 0.00 177.39 174.95 1gg4 n ASP 525 N -2.41 0.00 -3.67 -1.43 4.64 -1.26 -2.52 116.55 109.90 1gg4 n ASP 525 Ca 0.16 -0.23 -0.11 0.00 -1.38 0.00 0.00 54.79 53.23 1gg4 n ASP 525 Cb 0.59 0.00 -0.08 0.00 -1.04 0.00 0.00 41.12 40.58 1gg4 n ASP 525 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1gg4 s ALA 526 N 0.00 -1.49 0.03 -1.67 0.00 -1.26 -4.30 121.76 113.07 1gg4 s ALA 526 Ca 0.00 1.82 0.04 0.00 0.00 0.00 0.00 51.96 53.83 1gg4 s ALA 526 Cb 0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.03 1gg4 s ALA 526 CO 0.00 -0.30 -0.13 0.54 0.00 0.00 0.00 175.76 175.87 1gg4 s VAL 527 N 0.83 0.99 0.14 0.00 0.11 -1.26 -1.10 120.40 120.10 1gg4 s VAL 527 Ca -0.04 -0.87 -0.24 0.00 -2.93 0.00 0.00 61.98 57.90 1gg4 s VAL 527 Cb -0.05 -0.90 0.07 0.00 -1.53 0.00 0.00 36.38 33.97 1gg4 s VAL 527 CO -0.07 0.03 0.60 0.28 -3.33 0.00 0.00 175.10 172.61 1gg4 s THR 528 N -0.75 0.00 -0.92 5.04 -1.32 -0.92 -4.95 115.64 111.82 1gg4 s THR 528 Ca 0.01 -0.01 0.08 0.00 -1.21 0.00 0.00 61.69 60.56 1gg4 s THR 528 Cb -0.07 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.97 1gg4 s THR 528 CO 0.01 -0.01 0.70 0.35 -2.21 0.00 0.00 174.62 173.47 1gg4 n THR 529 N -0.24 0.00 -4.05 5.08 -2.24 -1.26 -0.39 114.28 111.18 1gg4 n THR 529 Ca -0.17 -0.48 -0.35 0.00 -2.27 0.00 0.00 64.05 60.77 1gg4 n THR 529 Cb 0.64 1.15 -0.13 0.00 -2.10 0.00 0.00 70.33 69.89 1gg4 n THR 529 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1gg4 s ASP 530 N -0.75 4.78 0.49 3.42 2.15 -1.26 -4.89 116.67 120.61 1gg4 s ASP 530 Ca 0.09 -0.22 0.22 0.00 0.43 0.00 0.00 52.55 53.07 1gg4 s ASP 530 Cb 0.06 -1.82 1.28 0.00 -0.30 0.00 0.00 42.92 42.15 1gg4 s ASP 530 CO 0.12 0.05 2.04 0.71 -0.17 0.00 0.00 175.17 177.92 1gg4 h THR 531 N 5.42 0.79 0.00 1.71 1.35 -1.97 -0.36 112.91 119.85 1gg4 h THR 531 Ca -0.36 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 1gg4 h THR 531 Cb 1.18 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1gg4 h THR 531 CO 0.61 0.15 0.00 0.54 -0.25 0.00 0.00 175.52 176.56 1gg4 n ARG 532 N -3.90 0.94 0.00 4.72 1.74 -1.26 -3.35 116.66 115.55 1gg4 n ARG 532 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1gg4 n ARG 532 Cb 0.24 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 1gg4 n ARG 532 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1gg4 n LYS 533 N -0.85 0.13 -1.59 5.56 4.76 -0.15 -5.07 118.16 120.95 1gg4 n LYS 533 Ca 0.16 -0.76 -0.49 0.00 -2.87 0.00 0.00 58.31 54.35 1gg4 n LYS 533 Cb 0.07 -0.98 -0.04 0.00 -1.84 0.00 0.00 35.03 32.24 1gg4 n LYS 533 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1gg4 n LEU 534 N -0.14 1.63 -4.29 -0.35 4.32 -1.21 -5.01 117.00 111.96 1gg4 n LEU 534 Ca 0.00 1.14 -0.27 0.00 -0.02 0.00 0.00 56.01 56.86 1gg4 n LEU 534 Cb 0.08 -1.22 -0.14 0.00 -1.62 0.00 0.00 43.42 40.52 1gg4 n LEU 534 CO 0.00 -1.21 -0.53 0.42 -1.22 0.00 0.00 177.39 174.85 1gg4 s THR 535 N -0.05 1.82 -0.83 -5.08 -4.23 -1.26 -4.98 115.64 101.03 1gg4 s THR 535 Ca 0.75 -1.34 -0.31 0.00 -1.18 0.00 0.00 61.69 59.62 1gg4 s THR 535 Cb -0.86 -1.59 -0.18 0.00 1.34 0.00 0.00 72.50 71.21 1gg4 s THR 535 CO 0.51 0.19 2.59 -2.65 -0.54 0.00 0.00 174.62 174.72 1gg4 n PRO 536 N 1.64 0.30 -0.63 3.99 -0.02 -1.26 -0.73 135.00 138.29 1gg4 n PRO 536 Ca -0.18 0.01 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1gg4 n PRO 536 Cb 0.53 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1gg4 n PRO 536 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gg4 n GLY 537 N 6.42 0.63 3.90 -1.23 0.00 -0.37 -4.94 105.19 109.61 1gg4 n GLY 537 Ca 0.57 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1gg4 n GLY 537 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gg4 s LEU 539 N -5.95 3.62 -0.20 0.00 2.96 -0.26 0.42 118.68 119.26 1gg4 s LEU 539 Ca 0.72 0.14 -0.05 0.00 -0.22 0.00 0.00 54.13 54.73 1gg4 s LEU 539 Cb -0.05 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 1gg4 s LEU 539 CO 0.53 0.36 -0.01 0.12 -1.32 0.00 0.00 176.35 176.02 1gg4 s PHE 540 N -0.74 3.01 -0.38 5.38 5.36 -0.70 -2.17 117.98 127.73 1gg4 s PHE 540 Ca 0.12 -0.59 -0.18 0.00 -0.96 0.00 0.00 56.93 55.32 1gg4 s PHE 540 Cb -0.12 -2.08 0.01 0.00 -0.34 0.00 0.00 43.02 40.49 1gg4 s PHE 540 CO 0.02 -0.33 0.48 0.08 -1.46 0.00 0.00 175.22 174.01 1gg4 s VAL 541 N 1.13 5.04 -0.82 3.12 1.01 0.48 -1.72 120.40 128.63 1gg4 s VAL 541 Ca 0.02 0.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.80 1gg4 s VAL 541 Cb -0.14 -3.99 0.05 0.00 0.00 0.00 0.00 36.38 32.30 1gg4 s VAL 541 CO 0.01 -0.31 1.26 0.00 0.00 0.00 0.00 175.10 176.06 1gg4 s ALA 542 N 2.30 2.86 0.29 5.51 0.00 -0.99 -4.46 121.76 127.28 1gg4 s ALA 542 Ca 0.16 -1.83 -0.14 0.00 0.00 0.00 0.00 51.96 50.15 1gg4 s ALA 542 Cb -0.16 -4.25 -0.09 0.00 0.00 0.00 0.00 23.12 18.63 1gg4 s ALA 542 CO 0.14 -3.27 0.70 -0.51 0.00 0.00 0.00 175.76 172.82 1gg4 s LEU 543 N 4.96 4.11 0.17 0.00 1.43 -1.26 -4.69 118.68 123.40 1gg4 s LEU 543 Ca 0.36 1.22 0.03 0.00 -1.03 0.00 0.00 54.13 54.71 1gg4 s LEU 543 Cb -0.07 -3.95 -0.05 0.00 0.03 0.00 0.00 46.19 42.15 1gg4 s LEU 543 CO 0.05 -0.16 -0.05 -1.59 0.23 0.00 0.00 176.35 174.83 1gg4 s LYS 544 N -2.86 1.11 0.19 1.70 -2.85 -1.26 0.43 119.74 116.20 1gg4 s LYS 544 Ca 0.52 -1.51 -0.10 0.00 -1.00 0.00 0.00 55.97 53.88 1gg4 s LYS 544 Cb -0.11 -0.49 0.04 0.00 -2.06 0.00 0.00 37.83 35.21 1gg4 s LYS 544 CO 0.18 -0.02 0.53 0.41 0.10 0.00 0.00 175.35 176.55 1gg4 n GLY 545 N -0.24 1.19 0.34 0.59 0.00 0.25 -4.93 105.19 102.40 1gg4 n GLY 545 Ca -0.08 -1.12 0.10 0.00 0.00 0.00 0.00 46.02 44.91 1gg4 n GLY 545 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1gg4 h GLU 546 N 0.00 0.73 -0.08 1.61 4.81 -2.06 -2.58 114.58 117.00 1gg4 h GLU 546 Ca -0.19 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1gg4 h GLU 546 Cb 0.74 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1gg4 h GLU 546 CO 0.24 0.48 0.00 0.54 -0.73 0.00 0.00 179.01 179.54 1gg4 n ARG 547 N -4.78 1.63 -3.85 1.92 5.12 -1.26 -5.04 116.66 110.39 1gg4 n ARG 547 Ca 0.21 -1.66 -0.08 0.00 -1.93 0.00 0.00 57.85 54.39 1gg4 n ARG 547 Cb 0.49 -1.35 -0.03 0.00 -1.16 0.00 0.00 32.46 30.41 1gg4 n ARG 547 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 1gg4 s PHE 548 N -1.44 -0.06 -0.29 -1.55 -0.12 -0.97 -5.13 117.98 108.42 1gg4 s PHE 548 Ca 0.23 -0.34 0.03 0.00 -0.05 0.00 0.00 56.93 56.79 1gg4 s PHE 548 Cb 0.15 0.53 0.18 0.00 -0.63 0.00 0.00 43.02 43.25 1gg4 s PHE 548 CO 0.23 -1.11 0.50 0.34 -0.05 0.00 0.00 175.22 175.12 1gg4 s ASP 549 N -2.93 -0.66 0.00 1.98 3.68 -1.26 0.87 116.67 118.36 1gg4 s ASP 549 Ca 0.13 0.08 0.00 0.00 2.13 0.00 0.00 52.55 54.89 1gg4 s ASP 549 Cb -0.04 1.61 0.00 0.00 -1.45 0.00 0.00 42.92 43.05 1gg4 s ASP 549 CO 0.05 -0.31 0.61 0.00 0.13 0.00 0.00 175.17 175.65 1gg4 n ALA 550 N 5.39 2.17 0.09 3.66 0.00 0.17 -2.84 120.51 129.15 1gg4 n ALA 550 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.41 1gg4 n ALA 550 Cb 0.51 -1.00 0.12 0.00 0.00 0.00 0.00 19.45 19.08 1gg4 n ALA 550 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1gg4 h HIS 551 N 0.08 0.27 0.00 0.00 3.86 -1.84 -2.74 115.15 114.78 1gg4 h HIS 551 Ca 0.00 -0.11 -0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1gg4 h HIS 551 Cb 0.10 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 1gg4 h HIS 551 CO 0.00 0.78 -0.01 -0.44 0.86 0.00 0.00 177.93 179.12 1gg4 h ASP 552 N 0.15 0.00 -0.73 2.45 3.45 -1.92 -1.81 116.42 118.01 1gg4 h ASP 552 Ca -0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.45 1gg4 h ASP 552 Cb 1.14 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.91 1gg4 h ASP 552 CO 0.10 0.01 0.00 0.49 -1.57 0.00 0.00 179.24 178.26 1gg4 n PHE 553 N -3.14 1.08 -0.07 4.55 3.01 -1.03 -4.41 117.46 117.44 1gg4 n PHE 553 Ca -0.02 -0.51 0.02 0.00 1.01 0.00 0.00 57.45 57.94 1gg4 n PHE 553 Cb 0.15 -0.04 0.33 0.00 -0.01 0.00 0.00 39.48 39.92 1gg4 n PHE 553 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1gg4 h ALA 554 N 4.33 1.53 -0.14 4.37 0.00 -1.39 0.13 119.26 128.09 1gg4 h ALA 554 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1gg4 h ALA 554 Cb 1.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1gg4 h ALA 554 CO 0.04 0.39 0.09 -0.44 0.00 0.00 0.00 179.25 179.33 1gg4 h ASP 555 N 0.69 0.17 -0.67 0.00 3.32 -1.81 0.10 116.42 118.22 1gg4 h ASP 555 Ca 0.18 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1gg4 h ASP 555 Cb 0.03 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1gg4 h ASP 555 CO -0.03 0.14 0.27 -0.61 -1.72 0.00 0.00 179.24 177.30 1gg4 h GLN 556 N 0.18 1.00 -0.40 3.56 5.75 -1.65 -0.21 115.11 123.34 1gg4 h GLN 556 Ca 0.05 -0.18 0.03 0.00 -0.15 0.00 0.00 58.65 58.41 1gg4 h GLN 556 Cb 0.00 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.36 1gg4 h GLN 556 CO -0.01 0.83 0.20 0.00 -2.65 0.00 0.00 178.83 177.19 1gg4 h ALA 557 N 1.12 0.49 -0.15 3.38 0.00 -0.19 0.26 119.26 124.18 1gg4 h ALA 557 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1gg4 h ALA 557 Cb 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1gg4 h ALA 557 CO -0.02 -0.16 0.05 -0.22 0.00 0.00 0.00 179.25 178.90 1gg4 h LYS 558 N 0.41 0.22 -0.10 0.00 3.64 -0.53 -1.14 116.57 119.07 1gg4 h LYS 558 Ca 0.17 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1gg4 h LYS 558 Cb 0.07 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1gg4 h LYS 558 CO -0.12 0.35 0.07 0.00 -2.27 0.00 0.00 179.45 177.48 1gg4 h ALA 559 N 0.87 2.06 0.00 5.00 0.00 -0.59 -1.92 119.26 124.69 1gg4 h ALA 559 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1gg4 h ALA 559 Cb 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1gg4 h ALA 559 CO -0.00 -0.09 0.00 0.78 0.00 0.00 0.00 179.25 179.94 1gg4 h GLY 560 N 0.02 0.00 0.00 0.00 0.00 -0.12 -3.47 103.07 99.50 1gg4 h GLY 560 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1gg4 h GLY 560 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1gg4 n GLY 561 N 1.20 0.90 3.61 4.60 0.00 -0.72 -4.75 105.19 110.03 1gg4 n GLY 561 Ca 0.05 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.59 1gg4 n GLY 561 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gg4 n ALA 562 N 0.00 -0.18 0.08 4.61 0.00 -0.47 -1.23 120.51 123.32 1gg4 n ALA 562 Ca 0.00 0.46 0.03 0.00 0.00 0.00 0.00 53.44 53.94 1gg4 n ALA 562 Cb 0.00 -2.13 -0.03 0.00 0.00 0.00 0.00 19.45 17.30 1gg4 n ALA 562 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1gg4 h GLY 563 N 4.08 0.00 -2.18 0.00 0.00 -0.19 -3.44 103.07 101.34 1gg4 h GLY 563 Ca -0.45 0.00 0.06 0.00 0.00 0.00 0.00 47.33 46.94 1gg4 h GLY 563 CO 0.75 0.00 0.23 0.00 0.00 0.00 0.00 176.54 177.52 1gg4 s ALA 564 N -3.04 -1.29 -0.15 3.60 0.00 -1.10 -4.21 121.76 115.57 1gg4 s ALA 564 Ca -0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.78 1gg4 s ALA 564 Cb 0.08 0.85 0.04 0.00 0.00 0.00 0.00 23.12 24.10 1gg4 s ALA 564 CO 0.78 -0.99 -0.02 -0.51 0.00 0.00 0.00 175.76 175.02 1gg4 s LEU 565 N -2.89 1.26 -0.21 0.00 1.43 0.08 -1.73 118.68 116.62 1gg4 s LEU 565 Ca 0.09 -0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 52.33 1gg4 s LEU 565 Cb -0.05 -0.72 -0.00 0.00 0.03 0.00 0.00 46.19 45.45 1gg4 s LEU 565 CO 0.04 -0.22 1.15 -0.22 0.23 0.00 0.00 176.35 177.33 1gg4 s LEU 566 N 1.77 4.12 0.02 1.79 2.96 -0.70 -1.63 118.68 127.00 1gg4 s LEU 566 Ca 0.01 1.49 -0.02 0.00 -0.22 0.00 0.00 54.13 55.39 1gg4 s LEU 566 Cb -0.15 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.98 1gg4 s LEU 566 CO -0.07 -0.74 0.01 0.54 -1.32 0.00 0.00 176.35 174.77 1gg4 s VAL 567 N 3.40 0.11 -2.04 1.68 0.11 -0.75 -2.34 120.40 120.57 1gg4 s VAL 567 Ca 0.49 -0.90 0.11 0.00 -2.93 0.00 0.00 61.98 58.76 1gg4 s VAL 567 Cb -0.18 -0.35 0.30 0.00 -1.53 0.00 0.00 36.38 34.63 1gg4 s VAL 567 CO 0.11 -0.49 1.28 -1.54 -3.33 0.00 0.00 175.10 171.13 1gg4 n SER 568 N 1.51 1.56 -3.60 3.54 3.41 -1.26 -0.97 113.62 117.82 1gg4 n SER 568 Ca -0.23 -1.94 -0.07 0.00 -0.26 0.00 0.00 58.87 56.36 1gg4 n SER 568 Cb 0.55 -0.18 -0.05 0.00 -0.26 0.00 0.00 64.21 64.28 1gg4 n SER 568 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gg4 s ARG 569 N -1.64 0.41 0.55 4.33 1.70 -1.26 -4.75 118.95 118.29 1gg4 s ARG 569 Ca 0.22 0.09 -0.20 0.00 -0.47 0.00 0.00 55.73 55.37 1gg4 s ARG 569 Cb 0.11 0.19 -0.05 0.00 -0.57 0.00 0.00 34.95 34.64 1gg4 s ARG 569 CO 0.16 -0.13 1.19 -2.14 -1.08 0.00 0.00 175.30 173.29 1gg4 s PRO 570 N -1.16 3.24 0.02 3.89 0.02 -1.26 -4.96 135.00 134.80 1gg4 s PRO 570 Ca 0.02 1.79 0.01 0.00 0.02 0.00 0.00 61.00 62.84 1gg4 s PRO 570 Cb -0.01 -2.06 -0.02 0.00 0.02 0.00 0.00 34.50 32.43 1gg4 s PRO 570 CO -0.02 -0.98 -0.04 -0.51 -0.33 0.00 0.00 177.00 175.12 1gg4 s LEU 571 N -3.76 2.18 -1.44 -5.54 1.43 -1.26 -5.05 118.68 105.25 1gg4 s LEU 571 Ca 0.73 -0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 53.31 1gg4 s LEU 571 Cb -0.29 -0.04 -0.01 0.00 0.03 0.00 0.00 46.19 45.88 1gg4 s LEU 571 CO 0.33 -0.18 2.41 0.47 0.23 0.00 0.00 176.35 179.60 1gg4 n ASP 572 N 1.94 5.16 -4.07 2.29 8.00 -1.26 -4.83 116.55 123.78 1gg4 n ASP 572 Ca -0.21 -2.74 -0.32 0.00 0.71 0.00 0.00 54.79 52.24 1gg4 n ASP 572 Cb 0.56 -1.57 -0.16 0.00 -0.02 0.00 0.00 41.12 39.93 1gg4 n ASP 572 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1gg4 s ILE 573 N 3.06 1.85 -0.55 0.53 -1.09 -1.26 -5.01 121.20 118.73 1gg4 s ILE 573 Ca 0.54 -0.87 -0.27 0.00 -2.23 0.00 0.00 60.65 57.83 1gg4 s ILE 573 Cb 0.15 -1.73 -0.25 0.00 -1.58 0.00 0.00 42.46 39.05 1gg4 s ILE 573 CO -0.06 0.45 1.81 -0.67 -1.23 0.00 0.00 174.94 175.24 1gg4 n ASP 574 N 4.67 1.79 -3.67 3.58 2.03 -1.26 -4.69 116.55 119.00 1gg4 n ASP 574 Ca -0.19 -2.58 -0.12 0.00 0.52 0.00 0.00 54.79 52.42 1gg4 n ASP 574 Cb 0.49 -1.02 -0.08 0.00 -0.72 0.00 0.00 41.12 39.79 1gg4 n ASP 574 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1gg4 s LEU 575 N 4.18 -0.36 0.17 -2.67 1.43 -1.26 -5.11 118.68 115.06 1gg4 s LEU 575 Ca 0.67 1.21 -0.33 0.00 -1.03 0.00 0.00 54.13 54.65 1gg4 s LEU 575 Cb 0.10 2.00 -0.15 0.00 0.03 0.00 0.00 46.19 48.18 1gg4 s LEU 575 CO 0.23 -0.21 1.32 -2.65 0.23 0.00 0.00 176.35 175.27 1gg4 n PRO 576 N 3.24 1.51 -4.34 1.29 -0.02 -1.26 -4.73 135.00 130.69 1gg4 n PRO 576 Ca -0.16 0.54 -0.24 0.00 -2.02 0.00 0.00 63.50 61.62 1gg4 n PRO 576 Cb 0.56 -2.15 -0.08 0.00 -0.02 0.00 0.00 33.50 31.81 1gg4 n PRO 576 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1gg4 s GLN 577 N -0.01 2.08 -0.44 -0.52 -0.21 -0.82 -0.74 119.66 119.01 1gg4 s GLN 577 Ca 0.75 -1.49 0.02 0.00 0.02 0.00 0.00 55.36 54.67 1gg4 s GLN 577 Cb -0.80 -2.05 0.15 0.00 1.00 0.00 0.00 33.01 31.31 1gg4 s GLN 577 CO 0.48 0.37 0.29 -1.17 -2.12 0.00 0.00 175.29 173.14 1gg4 s LEU 578 N -3.48 2.08 -0.18 2.90 0.20 -0.65 -1.04 118.68 118.52 1gg4 s LEU 578 Ca 0.30 -2.76 -0.29 0.00 0.69 0.00 0.00 54.13 52.06 1gg4 s LEU 578 Cb -0.06 -0.75 -0.02 0.00 -0.43 0.00 0.00 46.19 44.92 1gg4 s LEU 578 CO 0.18 -0.23 1.46 -0.63 -0.29 0.00 0.00 176.35 176.84 1gg4 s ILE 579 N 0.27 3.92 0.17 6.68 1.09 -0.42 -1.81 121.20 131.11 1gg4 s ILE 579 Ca 0.23 1.08 0.08 0.00 -1.10 0.00 0.00 60.65 60.94 1gg4 s ILE 579 Cb -0.14 -3.81 -0.04 0.00 -1.06 0.00 0.00 42.46 37.41 1gg4 s ILE 579 CO -0.07 -0.22 -0.17 0.68 -0.10 0.00 0.00 174.94 175.06 1gg4 s VAL 580 N 4.26 1.74 0.20 2.92 -7.23 -0.14 -1.37 120.40 120.79 1gg4 s VAL 580 Ca 0.64 -1.96 -0.11 0.00 -1.81 0.00 0.00 61.98 58.75 1gg4 s VAL 580 Cb -0.25 -1.85 0.14 0.00 0.56 0.00 0.00 36.38 34.99 1gg4 s VAL 580 CO 0.24 -0.39 1.85 0.50 -0.31 0.00 0.00 175.10 176.99 1gg4 h LYS 581 N 3.13 0.98 -3.18 4.82 3.64 -1.87 -3.35 116.57 120.74 1gg4 h LYS 581 Ca -0.41 -0.08 -0.34 0.00 -1.27 0.00 0.00 60.65 58.55 1gg4 h LYS 581 Cb 1.21 -0.21 -0.38 0.00 -0.41 0.00 0.00 32.23 32.44 1gg4 h LYS 581 CO 0.53 0.68 -0.69 0.34 -2.27 0.00 0.00 179.45 178.04 1gg4 s ASP 582 N -5.93 1.05 0.35 4.20 3.68 -1.26 -4.92 116.67 113.84 1gg4 s ASP 582 Ca -0.13 0.14 0.09 0.00 2.13 0.00 0.00 52.55 54.78 1gg4 s ASP 582 Cb 0.15 0.04 0.66 0.00 -1.45 0.00 0.00 42.92 42.32 1gg4 s ASP 582 CO 0.78 -0.26 1.83 0.71 0.13 0.00 0.00 175.17 178.37 1gg4 h THR 583 N 6.40 1.24 0.78 1.71 1.35 -1.88 -2.28 112.91 120.23 1gg4 h THR 583 Ca -0.13 -1.12 -0.04 0.00 -0.55 0.00 0.00 66.41 64.58 1gg4 h THR 583 Cb 1.12 1.46 0.01 0.00 -1.73 0.00 0.00 68.15 69.01 1gg4 h THR 583 CO 0.16 0.34 -0.37 -0.09 -0.25 0.00 0.00 175.52 175.30 1gg4 h ARG 584 N 0.17 -1.01 -0.50 4.72 9.65 -1.92 -0.43 114.38 125.07 1gg4 h ARG 584 Ca 0.03 0.07 0.09 0.00 -1.10 0.00 0.00 59.98 59.07 1gg4 h ARG 584 Cb 0.57 0.23 -0.08 0.00 -1.39 0.00 0.00 29.97 29.30 1gg4 h ARG 584 CO 0.04 -0.66 0.04 -0.07 2.80 0.00 0.00 179.97 182.12 1gg4 h LEU 585 N -1.14 -0.14 -1.49 3.80 -0.00 -1.96 -0.83 115.31 113.55 1gg4 h LEU 585 Ca -0.11 0.11 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1gg4 h LEU 585 Cb 0.82 0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.63 1gg4 h LEU 585 CO 0.18 -0.04 0.29 0.00 -0.00 0.00 0.00 178.44 178.86 1gg4 h ALA 586 N 1.43 1.62 -0.43 1.53 0.00 -1.29 0.20 119.26 122.31 1gg4 h ALA 586 Ca 0.25 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1gg4 h ALA 586 Cb 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1gg4 h ALA 586 CO -0.39 0.34 0.05 0.35 0.00 0.00 0.00 179.25 179.60 1gg4 h PHE 587 N 0.65 0.78 -0.06 0.00 3.57 0.30 0.56 116.94 122.74 1gg4 h PHE 587 Ca 0.17 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1gg4 h PHE 587 Cb -0.03 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.50 1gg4 h PHE 587 CO 0.00 0.76 -0.00 0.78 -2.23 0.00 0.00 178.31 177.62 1gg4 h GLY 588 N 0.58 0.12 1.00 2.40 0.00 -0.29 -2.16 103.07 104.72 1gg4 h GLY 588 Ca 0.13 -0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.38 1gg4 h GLY 588 CO 0.01 0.08 0.43 0.83 0.00 0.00 0.00 176.54 177.89 1gg4 h GLU 589 N -0.18 0.86 -0.13 4.80 5.08 -0.62 0.46 114.58 124.85 1gg4 h GLU 589 Ca 0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1gg4 h GLU 589 Cb 0.34 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1gg4 h GLU 589 CO 0.00 0.57 0.08 1.25 -1.00 0.00 0.00 179.01 179.91 1gg4 h LEU 590 N 0.88 0.15 0.03 1.33 5.85 -0.82 -0.14 115.31 122.59 1gg4 h LEU 590 Ca 0.24 -0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.68 1gg4 h LEU 590 Cb -0.10 -0.04 0.02 0.00 0.37 0.00 0.00 40.66 40.91 1gg4 h LEU 590 CO -0.05 0.11 -1.14 0.00 -0.34 0.00 0.00 178.44 177.02 1gg4 h ALA 591 N 1.92 0.12 0.46 1.25 0.00 -0.31 -2.72 119.26 119.98 1gg4 h ALA 591 Ca 0.05 -0.75 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 1gg4 h ALA 591 Cb -0.01 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1gg4 h ALA 591 CO -0.01 0.75 -0.22 0.00 0.00 0.00 0.00 179.25 179.77 1gg4 h ALA 592 N 0.45 -0.62 -0.62 0.00 0.00 0.61 -2.07 119.26 117.01 1gg4 h ALA 592 Ca -0.15 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.72 1gg4 h ALA 592 Cb 1.80 0.24 -0.08 0.00 0.00 0.00 0.00 17.79 19.75 1gg4 h ALA 592 CO 0.21 -0.81 0.17 2.35 0.00 0.00 0.00 179.25 181.17 1gg4 h TRP 593 N -0.69 0.28 -0.93 0.00 7.01 -1.14 -0.71 115.95 119.77 1gg4 h TRP 593 Ca -0.06 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 60.97 1gg4 h TRP 593 Cb 0.51 -0.03 -0.05 0.00 -2.10 0.00 0.00 29.16 27.50 1gg4 h TRP 593 CO -0.03 0.00 0.57 0.28 -2.79 0.00 0.00 178.44 176.48 1gg4 h VAL 594 N 0.31 1.25 0.00 2.65 2.07 -1.32 -1.81 116.25 119.40 1gg4 h VAL 594 Ca 0.33 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1gg4 h VAL 594 Cb 0.48 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1gg4 h VAL 594 CO -0.39 0.26 -0.13 -0.09 0.02 0.00 0.00 177.57 177.24 1gg4 h ARG 595 N 1.28 0.00 0.00 1.57 1.12 -0.41 -1.45 114.38 116.49 1gg4 h ARG 595 Ca 0.34 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.21 1gg4 h ARG 595 Cb -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.89 1gg4 h ARG 595 CO -0.06 0.13 -0.06 1.04 -3.11 0.00 0.00 179.97 177.90 1gg4 n GLN 596 N -3.76 0.25 0.00 0.20 1.13 -0.70 -3.36 117.38 111.14 1gg4 n GLN 596 Ca -0.02 0.19 0.13 0.00 -1.94 0.00 0.00 57.00 55.36 1gg4 n GLN 596 Cb 0.24 -1.78 0.32 0.00 0.11 0.00 0.00 30.24 29.14 1gg4 n GLN 596 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1gg4 n GLN 597 N -2.20 1.71 -4.24 -1.09 1.13 -0.55 -4.90 117.38 107.24 1gg4 n GLN 597 Ca 0.05 -1.20 -0.29 0.00 -1.94 0.00 0.00 57.00 53.62 1gg4 n GLN 597 Cb 0.43 -1.48 -0.10 0.00 0.11 0.00 0.00 30.24 29.20 1gg4 n GLN 597 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1gg4 s VAL 598 N -2.11 3.29 -1.24 5.09 -7.23 -1.21 -4.89 120.40 112.09 1gg4 s VAL 598 Ca 0.31 -1.34 0.29 0.00 -1.81 0.00 0.00 61.98 59.44 1gg4 s VAL 598 Cb 0.20 -2.54 0.38 0.00 0.56 0.00 0.00 36.38 34.98 1gg4 s VAL 598 CO 0.37 0.09 1.97 -0.81 -0.31 0.00 0.00 175.10 176.41 1gg4 n PRO 599 N 0.64 0.25 -1.53 4.82 -0.04 -1.26 -4.97 135.00 132.91 1gg4 n PRO 599 Ca -0.13 -0.01 -0.49 0.00 -0.04 0.00 0.00 63.50 62.82 1gg4 n PRO 599 Cb 0.53 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.45 1gg4 n PRO 599 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gg4 n ALA 600 N -1.36 -1.60 -2.57 0.55 0.00 -1.25 -4.86 120.51 109.42 1gg4 n ALA 600 Ca 0.11 0.47 -0.42 0.00 0.00 0.00 0.00 53.44 53.60 1gg4 n ALA 600 Cb 0.29 -1.89 -0.03 0.00 0.00 0.00 0.00 19.45 17.82 1gg4 n ALA 600 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1gg4 s ARG 601 N -0.65 3.34 0.04 0.00 1.81 0.32 -4.89 118.95 118.93 1gg4 s ARG 601 Ca 0.71 -0.03 -0.22 0.00 -1.72 0.00 0.00 55.73 54.47 1gg4 s ARG 601 Cb -0.91 -4.10 -0.06 0.00 -0.45 0.00 0.00 34.95 29.43 1gg4 s ARG 601 CO 0.55 -1.92 0.67 0.08 -0.68 0.00 0.00 175.30 174.00 1gg4 s VAL 602 N 5.32 4.77 0.01 3.52 1.01 -1.26 -1.08 120.40 132.69 1gg4 s VAL 602 Ca 0.38 1.42 -0.00 0.00 0.00 0.00 0.00 61.98 63.78 1gg4 s VAL 602 Cb -0.08 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 1gg4 s VAL 602 CO 0.20 0.43 -0.01 0.54 0.00 0.00 0.00 175.10 176.26 1gg4 s VAL 603 N -0.37 0.05 0.15 2.92 0.11 0.48 -1.35 120.40 122.39 1gg4 s VAL 603 Ca 0.34 -0.43 0.05 0.00 -2.93 0.00 0.00 61.98 59.00 1gg4 s VAL 603 Cb -0.20 -0.14 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 1gg4 s VAL 603 CO 0.20 -0.24 -0.11 0.00 -3.33 0.00 0.00 175.10 171.63 1gg4 s ALA 604 N -0.69 1.48 0.09 1.54 0.00 -0.56 -0.63 121.76 122.98 1gg4 s ALA 604 Ca -0.08 -1.48 -0.13 0.00 0.00 0.00 0.00 51.96 50.27 1gg4 s ALA 604 Cb -0.05 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.13 1gg4 s ALA 604 CO -0.00 -0.07 0.32 -0.48 0.00 0.00 0.00 175.76 175.52 1gg4 s LEU 605 N -3.12 0.81 0.00 0.00 0.05 -0.87 -1.13 118.68 114.43 1gg4 s LEU 605 Ca 0.16 -0.38 0.00 0.00 0.05 0.00 0.00 54.13 53.97 1gg4 s LEU 605 Cb 0.02 1.49 0.00 0.00 -2.05 0.00 0.00 46.19 45.65 1gg4 s LEU 605 CO 0.01 -0.76 0.00 0.41 -0.55 0.00 0.00 176.35 175.46 1gg4 n THR 606 N 0.03 0.00 0.00 5.48 -1.04 0.36 -0.39 114.28 118.72 1gg4 n THR 606 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1gg4 n THR 606 Cb 0.62 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.13 1gg4 n THR 606 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1gg4 n GLY 607 N 0.00 2.34 0.11 3.41 0.00 -1.26 -0.49 105.19 109.30 1gg4 n GLY 607 Ca 0.00 -1.75 -0.16 0.00 0.00 0.00 0.00 46.02 44.12 1gg4 n GLY 607 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1gg4 h SER 608 N 0.00 0.33 -5.39 1.61 0.02 -1.42 -3.47 113.55 105.24 1gg4 h SER 608 Ca 0.00 -0.48 -0.15 0.00 -0.84 0.00 0.00 61.79 60.31 1gg4 h SER 608 Cb 0.00 -0.11 -0.13 0.00 0.14 0.00 0.00 62.40 62.30 1gg4 h SER 608 CO 0.00 1.41 -0.44 -0.94 -1.14 0.00 0.00 176.83 175.72 1gg4 s SER 609 N -6.88 0.10 0.00 3.07 1.04 -1.26 -4.89 113.70 104.88 1gg4 s SER 609 Ca -0.09 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.23 1gg4 s SER 609 Cb 0.07 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1gg4 s SER 609 CO 0.84 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.78 1gg4 n GLY 610 N -0.24 2.80 0.34 7.32 0.00 -1.26 -4.59 105.19 109.55 1gg4 n GLY 610 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.02 1gg4 n GLY 610 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gg4 h LYS 611 N 1.82 -0.01 -0.86 1.61 1.57 -1.90 0.16 116.57 118.96 1gg4 h LYS 611 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1gg4 h LYS 611 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1gg4 h LYS 611 CO 0.00 -0.00 0.46 1.15 -0.57 0.00 0.00 179.45 180.49 1gg4 h THR 612 N -0.01 1.25 -0.06 -0.16 2.02 -1.96 0.08 112.91 114.07 1gg4 h THR 612 Ca 0.42 -0.65 -0.13 0.00 0.77 0.00 0.00 66.41 66.83 1gg4 h THR 612 Cb 0.65 0.10 0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1gg4 h THR 612 CO -0.93 0.29 -0.45 0.77 0.37 0.00 0.00 175.52 175.56 1gg4 h SER 613 N 1.21 0.51 -0.66 4.18 4.64 -1.46 -0.46 113.55 121.51 1gg4 h SER 613 Ca 0.30 -0.68 -0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1gg4 h SER 613 Cb 0.05 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 1gg4 h SER 613 CO -0.05 1.11 0.41 0.58 -0.87 0.00 0.00 176.83 178.01 1gg4 h VAL 614 N -0.05 1.18 0.48 0.95 2.07 -1.08 -2.90 116.25 116.89 1gg4 h VAL 614 Ca -0.04 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1gg4 h VAL 614 Cb 1.12 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1gg4 h VAL 614 CO 0.09 0.19 -0.23 0.50 0.02 0.00 0.00 177.57 178.14 1gg4 h LYS 615 N 0.91 -0.62 -1.57 1.57 3.64 -0.87 0.28 116.57 119.93 1gg4 h LYS 615 Ca 0.24 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1gg4 h LYS 615 Cb -0.05 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1gg4 h LYS 615 CO -0.05 -0.33 0.00 0.39 -2.27 0.00 0.00 179.45 177.19 1gg4 n GLU 616 N -5.29 0.19 0.00 1.90 1.02 -0.19 -0.77 120.64 117.49 1gg4 n GLU 616 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1gg4 n GLU 616 Cb 0.30 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 1gg4 n GLU 616 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1gg4 n THR 618 N 0.83 0.00 0.12 2.62 -1.04 0.09 -0.96 114.28 115.93 1gg4 n THR 618 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1gg4 n THR 618 Cb 0.09 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.53 1gg4 n THR 618 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1gg4 h ALA 619 N 0.00 -0.25 -0.92 2.41 0.00 -1.19 -0.53 119.26 118.77 1gg4 h ALA 619 Ca 0.00 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1gg4 h ALA 619 Cb 0.00 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1gg4 h ALA 619 CO 0.00 -0.65 0.57 0.00 0.00 0.00 0.00 179.25 179.17 1gg4 h ALA 620 N 0.57 1.33 0.13 0.00 0.00 -1.30 0.11 119.26 120.10 1gg4 h ALA 620 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1gg4 h ALA 620 Cb 0.24 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1gg4 h ALA 620 CO -0.00 0.23 -0.06 0.82 0.00 0.00 0.00 179.25 180.24 1gg4 h ILE 621 N 0.96 1.01 0.00 0.00 2.04 -1.75 -3.12 117.51 116.65 1gg4 h ILE 621 Ca 0.43 -0.64 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1gg4 h ILE 621 Cb 0.34 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 1gg4 h ILE 621 CO -0.23 0.15 -0.10 -0.07 0.00 0.00 0.00 178.15 177.91 1gg4 h LEU 622 N -0.49 0.00 -2.70 1.44 3.38 -0.51 -1.30 115.31 115.14 1gg4 h LEU 622 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1gg4 h LEU 622 Cb 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1gg4 h LEU 622 CO 0.03 0.10 -0.01 0.28 0.09 0.00 0.00 178.44 178.93 1gg4 h SER 623 N 0.00 0.00 1.53 -0.43 0.02 -0.93 0.49 113.55 114.23 1gg4 h SER 623 Ca -0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 1gg4 h SER 623 Cb 0.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1gg4 h SER 623 CO 0.01 0.01 -0.48 1.56 -1.14 0.00 0.00 176.83 176.79 1gg4 h GLN 624 N 0.00 0.00 0.00 3.45 1.08 -1.29 -3.33 115.11 115.02 1gg4 h GLN 624 Ca -0.00 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.96 1gg4 h GLN 624 Cb 0.03 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.42 1gg4 h GLN 624 CO 0.00 0.36 -1.42 0.00 -0.95 0.00 0.00 178.83 176.82 1gg4 n GLY 626 N 1.46 1.49 3.67 0.00 0.00 -0.66 -5.10 105.19 106.05 1gg4 n GLY 626 Ca -0.11 -1.00 -0.56 0.00 0.00 0.00 0.00 46.02 44.36 1gg4 n GLY 626 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1gg4 n ASN 627 N 0.00 2.47 -4.24 1.61 2.85 -1.26 -4.20 115.26 112.49 1gg4 n ASN 627 Ca 0.00 0.97 -0.21 0.00 -0.11 0.00 0.00 54.58 55.23 1gg4 n ASN 627 Cb 0.00 -1.18 -0.12 0.00 1.24 0.00 0.00 39.78 39.72 1gg4 n ASN 627 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1gg4 s THR 628 N 4.15 1.45 0.05 -0.44 -4.23 -1.26 0.11 115.64 115.47 1gg4 s THR 628 Ca 1.00 -1.48 0.09 0.00 -1.18 0.00 0.00 61.69 60.12 1gg4 s THR 628 Cb -1.01 -1.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.43 1gg4 s THR 628 CO 0.62 -0.17 -0.24 -0.22 -0.54 0.00 0.00 174.62 174.08 1gg4 s LEU 629 N -1.92 2.32 -0.04 4.79 0.20 -0.54 -4.98 118.68 118.51 1gg4 s LEU 629 Ca 0.04 -0.56 -0.18 0.00 0.69 0.00 0.00 54.13 54.12 1gg4 s LEU 629 Cb -0.09 -1.35 0.03 0.00 -0.43 0.00 0.00 46.19 44.35 1gg4 s LEU 629 CO 0.03 0.25 0.39 -0.72 -0.29 0.00 0.00 176.35 176.02 1gg4 s TYR 630 N -0.87 -0.30 0.14 5.38 -0.85 -1.26 -0.21 117.35 119.38 1gg4 s TYR 630 Ca 0.13 0.53 -0.33 0.00 -0.52 0.00 0.00 57.07 56.88 1gg4 s TYR 630 Cb -0.10 0.16 -0.17 0.00 0.38 0.00 0.00 41.96 42.23 1gg4 s TYR 630 CO 0.03 -0.41 0.88 2.41 -1.52 0.00 0.00 175.55 176.94 1gg4 n THR 631 N 1.39 1.13 -3.49 -3.49 -1.04 -0.70 -4.94 114.28 103.14 1gg4 n THR 631 Ca -0.20 -0.28 -0.36 0.00 -2.04 0.00 0.00 64.05 61.17 1gg4 n THR 631 Cb 0.56 -0.28 -0.06 0.00 -1.82 0.00 0.00 70.33 68.74 1gg4 n THR 631 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1gg4 s ALA 632 N -0.50 3.68 0.00 2.41 0.00 -1.26 -4.91 121.76 121.17 1gg4 s ALA 632 Ca 0.74 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.43 1gg4 s ALA 632 Cb -1.00 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1gg4 s ALA 632 CO 0.56 0.51 0.00 0.41 0.00 0.00 0.00 175.76 177.24 1gg4 n GLY 633 N 1.07 2.94 2.23 0.00 0.00 -1.26 -2.42 105.19 107.74 1gg4 n GLY 633 Ca -0.08 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 1gg4 n GLY 633 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gg4 n ASN 634 N 2.56 4.19 -4.57 1.61 4.13 -1.26 -4.94 115.26 116.97 1gg4 n ASN 634 Ca 0.00 -3.39 -0.40 0.00 1.68 0.00 0.00 54.58 52.47 1gg4 n ASN 634 Cb 0.00 -0.38 -0.02 0.00 -1.54 0.00 0.00 39.78 37.84 1gg4 n ASN 634 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1gg4 s LEU 635 N -3.63 3.64 -0.06 3.41 1.43 -1.02 -4.59 118.68 117.87 1gg4 s LEU 635 Ca 0.46 -2.07 0.09 0.00 -1.03 0.00 0.00 54.13 51.58 1gg4 s LEU 635 Cb 0.39 -2.58 0.14 0.00 0.03 0.00 0.00 46.19 44.17 1gg4 s LEU 635 CO 0.01 -1.55 1.03 -0.46 0.23 0.00 0.00 176.35 175.61 1gg4 n ASN 636 N 9.48 1.31 -1.38 2.29 0.23 -1.26 -3.93 115.26 122.00 1gg4 n ASN 636 Ca 0.45 -2.44 0.00 0.00 -0.53 0.00 0.00 54.58 52.06 1gg4 n ASN 636 Cb 0.47 -0.27 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 1gg4 n ASN 636 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1gg4 n ASN 637 N -0.73 0.99 0.27 0.53 2.04 -1.26 0.12 115.26 117.22 1gg4 n ASN 637 Ca 0.08 -0.69 0.13 0.00 -0.44 0.00 0.00 54.58 53.66 1gg4 n ASN 637 Cb 0.61 0.00 0.81 0.00 -2.53 0.00 0.00 39.78 38.68 1gg4 n ASN 637 CO 0.00 0.00 0.00 -2.24 -0.44 0.00 0.00 177.26 174.58 1gg4 h ASP 638 N 0.00 0.00 0.22 0.53 3.04 -1.94 0.36 116.42 118.63 1gg4 h ASP 638 Ca 0.00 0.00 -0.35 0.00 -3.24 0.00 0.00 57.03 53.44 1gg4 h ASP 638 Cb 0.00 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.25 1gg4 h ASP 638 CO 0.00 0.00 -2.00 -0.38 -2.04 0.00 0.00 179.24 174.82 1gg4 n ILE 639 N -4.08 1.66 -0.01 4.15 2.08 -1.26 -4.27 119.36 117.63 1gg4 n ILE 639 Ca -0.02 -0.71 -0.17 0.00 0.56 0.00 0.00 62.75 62.41 1gg4 n ILE 639 Cb 0.13 -1.37 -0.07 0.00 -0.75 0.00 0.00 39.64 37.58 1gg4 n ILE 639 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1gg4 h GLY 640 N 2.22 0.83 0.97 7.39 0.00 -1.66 -3.27 103.07 109.56 1gg4 h GLY 640 Ca -0.41 -1.21 -0.01 0.00 0.00 0.00 0.00 47.33 45.70 1gg4 h GLY 640 CO 0.06 1.08 -0.08 -2.08 0.00 0.00 0.00 176.54 175.52 1gg4 h VAL 641 N 0.50 0.84 0.00 4.60 2.07 -0.44 -0.99 116.25 122.83 1gg4 h VAL 641 Ca -0.06 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1gg4 h VAL 641 Cb 1.44 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1gg4 h VAL 641 CO 0.16 0.02 0.00 -2.65 0.02 0.00 0.00 177.57 175.12 1gg4 n PRO 642 N -5.18 0.00 0.00 1.57 -0.02 -1.23 -0.32 135.00 129.82 1gg4 n PRO 642 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 1gg4 n PRO 642 Cb 0.13 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 1gg4 n PRO 642 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1gg4 n THR 644 N 0.98 0.00 -0.05 3.45 -1.04 -0.38 -0.23 114.28 117.01 1gg4 n THR 644 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1gg4 n THR 644 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 1gg4 n THR 644 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1gg4 h LEU 645 N 0.00 0.25 -0.84 -4.42 3.38 -0.93 -2.64 115.31 110.12 1gg4 h LEU 645 Ca 0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1gg4 h LEU 645 Cb 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1gg4 h LEU 645 CO 0.00 0.44 0.18 0.18 0.09 0.00 0.00 178.44 179.32 1gg4 n LEU 646 N -4.79 0.33 -0.01 1.67 7.99 0.68 0.10 117.00 122.97 1gg4 n LEU 646 Ca -0.05 0.57 0.14 0.00 -0.01 0.00 0.00 56.01 56.67 1gg4 n LEU 646 Cb 0.18 -0.57 0.66 0.00 -0.11 0.00 0.00 43.42 43.57 1gg4 n LEU 646 CO 0.36 -0.69 0.96 0.54 -1.51 0.00 0.00 177.39 177.05 1gg4 n ARG 647 N -1.96 0.19 -1.99 3.23 1.74 -0.99 -4.74 116.66 112.14 1gg4 n ARG 647 Ca -0.01 -0.01 -0.39 0.00 -0.77 0.00 0.00 57.85 56.67 1gg4 n ARG 647 Cb 0.20 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 1gg4 n ARG 647 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1gg4 s LEU 648 N -2.82 4.17 0.13 0.55 1.43 0.12 -5.06 118.68 117.20 1gg4 s LEU 648 Ca 0.20 2.71 -0.06 0.00 -1.03 0.00 0.00 54.13 55.95 1gg4 s LEU 648 Cb 0.19 -3.93 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 1gg4 s LEU 648 CO 0.51 -0.95 0.18 0.42 0.23 0.00 0.00 176.35 176.73 1gg4 s THR 649 N -1.26 0.11 -1.77 5.49 -4.23 -1.26 -4.52 115.64 108.19 1gg4 s THR 649 Ca 0.58 -1.51 0.13 0.00 -1.18 0.00 0.00 61.69 59.71 1gg4 s THR 649 Cb -0.39 -1.75 0.31 0.00 1.34 0.00 0.00 72.50 72.01 1gg4 s THR 649 CO 0.50 -0.49 1.25 -2.65 -0.54 0.00 0.00 174.62 172.70 1gg4 n PRO 650 N -0.12 0.32 0.10 3.99 -0.02 -1.26 -2.25 135.00 135.76 1gg4 n PRO 650 Ca -0.09 0.07 -0.01 0.00 -2.02 0.00 0.00 63.50 61.45 1gg4 n PRO 650 Cb 0.63 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.58 1gg4 n PRO 650 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1gg4 h GLU 651 N 0.00 0.00 -6.72 -0.52 3.07 -1.99 -3.45 114.58 104.97 1gg4 h GLU 651 Ca 0.00 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 58.36 1gg4 h GLU 651 Cb 0.05 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 1gg4 h GLU 651 CO 0.00 0.62 0.38 0.71 -1.40 0.00 0.00 179.01 179.32 1gg4 s TYR 652 N -2.88 3.86 -0.14 4.33 2.02 -0.95 -4.76 117.35 118.82 1gg4 s TYR 652 Ca 0.02 1.84 0.11 0.00 -0.37 0.00 0.00 57.07 58.67 1gg4 s TYR 652 Cb 0.08 -3.07 -0.23 0.00 -0.40 0.00 0.00 41.96 38.34 1gg4 s TYR 652 CO 0.78 0.15 0.27 -0.25 -1.57 0.00 0.00 175.55 174.93 1gg4 n ASP 653 N 1.72 0.82 -4.15 2.29 10.43 0.30 -3.88 116.55 124.08 1gg4 n ASP 653 Ca -0.01 0.15 -0.10 0.00 2.57 0.00 0.00 54.79 57.40 1gg4 n ASP 653 Cb 0.47 0.22 -0.10 0.00 1.84 0.00 0.00 41.12 43.55 1gg4 n ASP 653 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1gg4 s TYR 654 N -2.54 0.81 -0.19 1.24 1.51 -0.76 -0.52 117.35 116.90 1gg4 s TYR 654 Ca -0.13 -1.00 -0.08 0.00 -1.01 0.00 0.00 57.07 54.85 1gg4 s TYR 654 Cb 0.07 -0.50 0.08 0.00 -0.11 0.00 0.00 41.96 41.51 1gg4 s TYR 654 CO 0.79 -0.26 0.42 0.00 -1.11 0.00 0.00 175.55 175.39 1gg4 s ALA 655 N -3.75 -1.12 -0.37 3.71 0.00 -0.24 -1.47 121.76 118.52 1gg4 s ALA 655 Ca 0.13 1.51 -0.09 0.00 0.00 0.00 0.00 51.96 53.51 1gg4 s ALA 655 Cb 0.06 -1.22 0.04 0.00 0.00 0.00 0.00 23.12 22.01 1gg4 s ALA 655 CO -0.05 -0.62 0.18 0.08 0.00 0.00 0.00 175.76 175.35 1gg4 s VAL 656 N 2.28 4.21 -0.21 0.00 1.01 0.71 -0.39 120.40 128.02 1gg4 s VAL 656 Ca -0.04 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 60.83 1gg4 s VAL 656 Cb -0.11 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 1gg4 s VAL 656 CO -0.13 -0.26 0.00 -0.63 0.00 0.00 0.00 175.10 174.09 1gg4 s ILE 657 N 1.47 3.95 -0.19 2.22 -1.09 0.20 -1.71 121.20 126.05 1gg4 s ILE 657 Ca 0.01 -0.31 -0.16 0.00 -2.23 0.00 0.00 60.65 57.96 1gg4 s ILE 657 Cb -0.20 -2.79 -0.04 0.00 -1.58 0.00 0.00 42.46 37.85 1gg4 s ILE 657 CO 0.04 0.42 0.38 -0.70 -1.23 0.00 0.00 174.94 173.86 1gg4 s GLU 658 N 1.08 4.20 -0.13 2.79 2.12 -1.26 -2.05 118.70 125.44 1gg4 s GLU 658 Ca 0.02 0.20 -0.01 0.00 0.36 0.00 0.00 54.97 55.54 1gg4 s GLU 658 Cb -0.14 -3.51 -0.02 0.00 0.26 0.00 0.00 34.13 30.72 1gg4 s GLU 658 CO 0.02 0.02 -0.11 -0.51 -0.54 0.00 0.00 175.26 174.13 1gg4 s LEU 659 N 1.13 2.84 0.31 2.70 1.43 0.48 -4.42 118.68 123.15 1gg4 s LEU 659 Ca 0.19 -0.28 0.07 0.00 -1.03 0.00 0.00 54.13 53.08 1gg4 s LEU 659 Cb -0.14 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 1gg4 s LEU 659 CO 0.07 0.17 0.27 -0.83 0.23 0.00 0.00 176.35 176.26 1gg4 s GLY 660 N 0.34 1.65 -0.17 -3.19 0.00 0.12 -4.36 107.32 101.70 1gg4 s GLY 660 Ca -0.09 -1.57 -0.06 0.00 0.00 0.00 0.00 44.72 43.00 1gg4 s GLY 660 CO 0.05 -1.53 0.36 0.00 0.00 0.00 0.00 173.10 171.98 1gg4 s ALA 661 N -2.24 -0.94 -0.07 3.20 0.00 -1.26 -4.40 121.76 116.04 1gg4 s ALA 661 Ca 0.38 1.29 0.12 0.00 0.00 0.00 0.00 51.96 53.76 1gg4 s ALA 661 Cb -0.07 -1.22 -0.18 0.00 0.00 0.00 0.00 23.12 21.65 1gg4 s ALA 661 CO 0.26 -0.72 0.16 0.09 0.00 0.00 0.00 175.76 175.55 1gg4 n ASN 662 N 5.38 1.94 -4.03 0.00 3.02 -1.26 -5.03 115.26 115.28 1gg4 n ASN 662 Ca -0.08 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.38 1gg4 n ASN 662 Cb 0.49 1.19 -0.09 0.00 -0.61 0.00 0.00 39.78 40.77 1gg4 n ASN 662 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1gg4 s HIS 663 N -2.60 0.54 0.57 3.10 3.76 -1.26 -5.13 115.29 114.28 1gg4 s HIS 663 Ca -0.06 -0.95 -0.19 0.00 -0.15 0.00 0.00 55.06 53.71 1gg4 s HIS 663 Cb 0.06 -0.26 -0.04 0.00 1.11 0.00 0.00 32.58 33.45 1gg4 s HIS 663 CO 0.53 -0.57 1.20 -0.65 -0.85 0.00 0.00 174.74 174.41 1gg4 s GLN 664 N -3.97 3.10 0.00 1.40 -0.21 -1.26 -2.70 119.66 116.01 1gg4 s GLN 664 Ca 0.16 1.82 0.00 0.00 0.02 0.00 0.00 55.36 57.36 1gg4 s GLN 664 Cb 0.06 -1.99 0.00 0.00 1.00 0.00 0.00 33.01 32.08 1gg4 s GLN 664 CO -0.03 -1.10 0.00 0.41 -2.12 0.00 0.00 175.29 172.45 1gg4 n GLY 665 N 0.47 2.69 0.08 3.09 0.00 -1.26 -4.87 105.19 105.39 1gg4 n GLY 665 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 1gg4 n GLY 665 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1gg4 h GLU 666 N 1.98 0.12 -0.31 1.61 5.08 -1.87 -2.65 114.58 118.56 1gg4 h GLU 666 Ca 0.00 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 1gg4 h GLU 666 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1gg4 h GLU 666 CO 0.00 0.38 -0.23 0.82 -1.00 0.00 0.00 179.01 178.98 1gg4 h ILE 667 N -0.15 1.30 -0.77 3.13 2.04 -1.79 -3.01 117.51 118.27 1gg4 h ILE 667 Ca 0.02 -1.37 0.17 0.00 1.00 0.00 0.00 64.86 64.68 1gg4 h ILE 667 Cb 0.32 1.51 -0.14 0.00 -0.74 0.00 0.00 36.82 37.77 1gg4 h ILE 667 CO 0.00 0.44 -0.08 0.00 0.00 0.00 0.00 178.15 178.51 1gg4 h ALA 668 N 0.74 0.67 -0.46 1.87 0.00 -1.78 0.89 119.26 121.19 1gg4 h ALA 668 Ca 0.06 0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 1gg4 h ALA 668 Cb 0.78 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1gg4 h ALA 668 CO 0.06 -0.43 0.15 2.35 0.00 0.00 0.00 179.25 181.38 1gg4 h TRP 669 N 0.05 0.72 -0.37 0.00 2.91 -1.43 -2.14 115.95 115.70 1gg4 h TRP 669 Ca 0.40 -0.07 -0.15 0.00 1.13 0.00 0.00 58.89 60.20 1gg4 h TRP 669 Cb 0.67 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.10 1gg4 h TRP 669 CO -0.51 0.64 -0.36 1.79 -1.03 0.00 0.00 178.44 178.98 1gg4 h THR 670 N 0.60 1.28 -0.02 2.65 1.35 -0.93 -2.74 112.91 115.10 1gg4 h THR 670 Ca 0.15 -1.53 -0.12 0.00 -0.55 0.00 0.00 66.41 64.37 1gg4 h THR 670 Cb 0.25 1.37 -0.02 0.00 -1.73 0.00 0.00 68.15 68.03 1gg4 h THR 670 CO -0.01 0.51 -0.53 -0.37 -0.25 0.00 0.00 175.52 174.87 1gg4 h VAL 671 N 0.70 1.38 0.00 6.82 -1.51 -0.89 0.51 116.25 123.26 1gg4 h VAL 671 Ca 0.07 -1.83 -0.03 0.00 -1.23 0.00 0.00 66.70 63.67 1gg4 h VAL 671 Cb 0.92 1.97 -0.00 0.00 -2.13 0.00 0.00 31.29 32.05 1gg4 h VAL 671 CO 0.09 0.53 -0.17 0.77 -1.23 0.00 0.00 177.57 177.56 1gg4 h SER 672 N 0.04 0.00 0.13 4.19 4.64 -1.18 0.82 113.55 122.18 1gg4 h SER 672 Ca -0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 1gg4 h SER 672 Cb 0.96 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.05 1gg4 h SER 672 CO 0.07 0.17 -1.22 -0.07 -0.87 0.00 0.00 176.83 174.91 1gg4 h LEU 673 N 0.00 0.44 -0.68 5.97 3.38 -1.08 -3.37 115.31 119.97 1gg4 h LEU 673 Ca -0.00 -0.89 -0.13 0.00 0.09 0.00 0.00 57.88 56.95 1gg4 h LEU 673 Cb 0.37 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1gg4 h LEU 673 CO 0.02 1.55 -0.33 0.74 0.09 0.00 0.00 178.44 180.51 1gg4 h THR 674 N -0.30 1.28 -6.75 0.22 2.02 -0.46 -3.40 112.91 105.52 1gg4 h THR 674 Ca -0.25 -1.46 -0.50 0.00 0.77 0.00 0.00 66.41 64.97 1gg4 h THR 674 Cb 1.75 1.41 -0.00 0.00 -1.74 0.00 0.00 68.15 69.56 1gg4 h THR 674 CO 0.10 0.47 -1.06 0.54 0.37 0.00 0.00 175.52 175.95 1gg4 n ARG 675 N -4.07 -1.28 -2.77 6.66 5.12 0.28 -4.91 116.66 115.69 1gg4 n ARG 675 Ca -0.01 0.60 -0.34 0.00 -1.93 0.00 0.00 57.85 56.16 1gg4 n ARG 675 Cb 0.48 -2.15 -0.06 0.00 -1.16 0.00 0.00 32.46 29.57 1gg4 n ARG 675 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1gg4 s PRO 676 N -5.28 4.30 0.26 5.56 0.04 -1.24 -4.92 135.00 133.72 1gg4 s PRO 676 Ca 0.08 1.22 0.12 0.00 0.04 0.00 0.00 61.00 62.46 1gg4 s PRO 676 Cb -0.04 -2.38 0.25 0.00 0.04 0.00 0.00 34.50 32.37 1gg4 s PRO 676 CO 0.88 0.03 1.54 0.93 0.04 0.00 0.00 177.00 180.41 1gg4 h GLU 677 N 2.30 0.00 -3.38 4.56 5.08 -1.55 -3.35 114.58 118.24 1gg4 h GLU 677 Ca -0.48 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.69 1gg4 h GLU 677 Cb 1.19 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 30.18 1gg4 h GLU 677 CO 0.62 0.65 -0.53 0.00 -1.00 0.00 0.00 179.01 178.75 1gg4 s ALA 678 N -3.32 -0.37 -0.03 3.43 0.00 -1.26 -1.51 121.76 118.70 1gg4 s ALA 678 Ca 0.00 0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.35 1gg4 s ALA 678 Cb 0.11 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.03 1gg4 s ALA 678 CO 0.76 -0.09 -0.02 0.00 0.00 0.00 0.00 175.76 176.41 1gg4 s ALA 679 N -0.05 0.47 -0.03 0.00 0.00 -0.90 -1.50 121.76 119.75 1gg4 s ALA 679 Ca -0.01 0.04 0.07 0.00 0.00 0.00 0.00 51.96 52.05 1gg4 s ALA 679 Cb -0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 1gg4 s ALA 679 CO 0.00 -0.02 -0.23 -1.17 0.00 0.00 0.00 175.76 174.34 1gg4 s LEU 680 N 0.85 2.03 -0.34 0.00 0.20 -0.28 -1.38 118.68 119.75 1gg4 s LEU 680 Ca -0.10 -0.43 -0.04 0.00 0.69 0.00 0.00 54.13 54.25 1gg4 s LEU 680 Cb -0.13 -1.20 0.06 0.00 -0.43 0.00 0.00 46.19 44.49 1gg4 s LEU 680 CO -0.01 0.26 0.10 -0.69 -0.29 0.00 0.00 176.35 175.72 1gg4 s VAL 681 N -0.41 3.40 0.19 1.68 1.01 -1.16 -0.49 120.40 124.62 1gg4 s VAL 681 Ca 0.05 -1.45 -0.12 0.00 0.00 0.00 0.00 61.98 60.47 1gg4 s VAL 681 Cb -0.10 -3.03 0.11 0.00 0.00 0.00 0.00 36.38 33.35 1gg4 s VAL 681 CO 0.00 -0.28 1.81 -1.13 0.00 0.00 0.00 175.10 175.50 1gg4 h ASN 682 N 8.11 0.80 -5.81 3.32 -0.00 -1.12 -3.30 115.58 117.59 1gg4 h ASN 682 Ca -0.20 -0.08 0.34 0.00 -0.00 0.00 0.00 56.30 56.35 1gg4 h ASN 682 Cb 1.07 -0.20 -0.10 0.00 -0.00 0.00 0.00 38.32 39.09 1gg4 h ASN 682 CO 0.61 0.65 0.87 0.54 -0.00 0.00 0.00 177.43 180.09 1gg4 s ASN 683 N -5.93 -0.02 0.20 1.15 2.20 -1.26 -4.56 114.94 106.71 1gg4 s ASN 683 Ca -0.13 -0.17 0.08 0.00 -0.94 0.00 0.00 52.86 51.70 1gg4 s ASN 683 Cb 0.14 0.15 -0.05 0.00 -2.00 0.00 0.00 41.25 39.49 1gg4 s ASN 683 CO 0.78 -0.29 -0.15 -0.76 -2.94 0.00 0.00 177.10 173.74 1gg4 s LEU 684 N -3.36 2.54 0.00 3.54 1.43 -1.26 -1.05 118.68 120.52 1gg4 s LEU 684 Ca 0.21 -1.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 1gg4 s LEU 684 Cb 0.02 -0.68 0.00 0.00 0.03 0.00 0.00 46.19 45.57 1gg4 s LEU 684 CO -0.02 -0.16 0.00 0.00 0.23 0.00 0.00 176.35 176.39 1gg4 n ALA 685 N -0.30 0.00 -0.77 4.21 0.00 -1.26 -4.84 120.51 117.55 1gg4 n ALA 685 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1gg4 n ALA 685 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1gg4 n ALA 685 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1gg4 n SER 694 N 0.00 0.00 0.23 0.00 7.64 -1.26 -4.97 113.62 115.26 1gg4 n SER 694 Ca 0.00 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.73 1gg4 n SER 694 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1gg4 n SER 694 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1gg4 h LEU 695 N 0.00 -0.48 -1.32 -3.43 5.85 -2.04 -2.80 115.31 111.09 1gg4 h LEU 695 Ca 0.00 -0.08 0.35 0.00 0.84 0.00 0.00 57.88 58.99 1gg4 h LEU 695 Cb 0.00 0.12 -0.12 0.00 0.37 0.00 0.00 40.66 41.04 1gg4 h LEU 695 CO 0.00 -0.20 0.73 0.00 -0.34 0.00 0.00 178.44 178.63 1gg4 h ALA 696 N -0.29 2.40 -0.35 1.25 0.00 -1.98 0.56 119.26 120.86 1gg4 h ALA 696 Ca -0.06 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1gg4 h ALA 696 Cb 0.53 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1gg4 h ALA 696 CO 0.10 -0.94 -0.04 0.78 0.00 0.00 0.00 179.25 179.15 1gg4 h GLY 697 N 0.24 0.69 1.63 0.00 0.00 -1.93 0.02 103.07 103.72 1gg4 h GLY 697 Ca 0.72 -0.54 -0.14 0.00 0.00 0.00 0.00 47.33 47.37 1gg4 h GLY 697 CO -0.40 0.49 -0.50 -0.39 0.00 0.00 0.00 176.54 175.74 1gg4 h VAL 698 N 0.44 1.33 -0.48 4.60 -1.51 0.20 -0.24 116.25 120.60 1gg4 h VAL 698 Ca 0.09 -1.73 -0.01 0.00 -1.23 0.00 0.00 66.70 63.83 1gg4 h VAL 698 Cb 0.51 1.76 -0.02 0.00 -2.13 0.00 0.00 31.29 31.41 1gg4 h VAL 698 CO 0.03 0.53 0.27 0.00 -1.23 0.00 0.00 177.57 177.17 1gg4 h ALA 699 N 1.15 0.61 0.89 5.19 0.00 -0.72 0.44 119.26 126.82 1gg4 h ALA 699 Ca 0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1gg4 h ALA 699 Cb 0.99 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1gg4 h ALA 699 CO 0.09 0.12 -0.43 -0.22 0.00 0.00 0.00 179.25 178.81 1gg4 h LYS 700 N 0.63 -1.15 -1.01 0.00 1.63 -0.77 -0.21 116.57 115.70 1gg4 h LYS 700 Ca 0.17 0.08 0.20 0.00 -0.85 0.00 0.00 60.65 60.25 1gg4 h LYS 700 Cb 0.03 0.26 -0.11 0.00 -0.60 0.00 0.00 32.23 31.81 1gg4 h LYS 700 CO -0.03 -0.76 0.61 0.00 -3.45 0.00 0.00 179.45 175.82 1gg4 h ALA 701 N -1.18 1.70 -0.03 5.00 0.00 -0.87 -1.07 119.26 122.81 1gg4 h ALA 701 Ca -0.12 0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.66 1gg4 h ALA 701 Cb 0.92 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1gg4 h ALA 701 CO 0.20 -0.09 -0.87 0.87 0.00 0.00 0.00 179.25 179.36 1gg4 h LYS 702 N 0.73 0.45 -0.20 0.00 1.79 -0.78 -3.21 116.57 115.35 1gg4 h LYS 702 Ca 0.59 -0.44 0.06 0.00 -2.18 0.00 0.00 60.65 58.68 1gg4 h LYS 702 Cb 0.97 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.72 1gg4 h LYS 702 CO -0.40 1.09 0.19 0.78 -1.08 0.00 0.00 179.45 180.03 1gg4 h GLY 703 N 1.16 0.00 1.27 3.86 0.00 0.32 -1.67 103.07 108.02 1gg4 h GLY 703 Ca -0.07 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.35 1gg4 h GLY 703 CO 0.15 0.00 0.28 0.83 0.00 0.00 0.00 176.54 177.80 1gg4 h GLU 704 N 0.00 0.00 -0.27 4.80 5.08 -1.52 -1.90 114.58 120.76 1gg4 h GLU 704 Ca 0.10 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 1gg4 h GLU 704 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1gg4 h GLU 704 CO -0.00 0.00 0.21 0.97 -1.00 0.00 0.00 179.01 179.19 1gg4 h ILE 705 N 0.00 0.76 0.00 3.13 2.10 -1.52 -1.13 117.51 120.85 1gg4 h ILE 705 Ca 0.15 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.09 1gg4 h ILE 705 Cb 0.70 0.85 0.00 0.00 -1.09 0.00 0.00 36.82 37.28 1gg4 h ILE 705 CO -0.00 0.00 0.00 -0.26 -1.08 0.00 0.00 178.15 176.81 1gg4 h PHE 706 N 0.00 0.00 0.00 2.19 -1.00 -1.57 -3.10 116.94 113.46 1gg4 h PHE 706 Ca 0.13 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.91 1gg4 h PHE 706 Cb 0.55 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.11 1gg4 h PHE 706 CO 0.00 0.00 0.00 0.66 -1.61 0.00 0.00 178.31 177.36 1gg4 h SER 707 N 0.00 0.00 -0.31 2.17 4.64 -1.38 -3.05 113.55 115.62 1gg4 h SER 707 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1gg4 h SER 707 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1gg4 h SER 707 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1gg4 n GLY 708 N -0.02 1.06 3.74 -0.77 0.00 -1.17 -4.94 105.19 103.09 1gg4 n GLY 708 Ca 0.01 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 1gg4 n GLY 708 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gg4 s LEU 709 N -1.46 4.52 1.03 0.99 1.43 -1.15 -3.65 118.68 120.39 1gg4 s LEU 709 Ca 0.35 1.68 -0.12 0.00 -1.03 0.00 0.00 54.13 55.01 1gg4 s LEU 709 Cb 0.20 -3.43 0.21 0.00 0.03 0.00 0.00 46.19 43.19 1gg4 s LEU 709 CO 0.28 0.04 1.08 -2.16 0.23 0.00 0.00 176.35 175.81 1gg4 s PRO 710 N -0.36 0.17 0.55 1.29 0.04 -1.26 -4.81 135.00 130.63 1gg4 s PRO 710 Ca 0.42 0.65 0.24 0.00 0.04 0.00 0.00 61.00 62.35 1gg4 s PRO 710 Cb -0.23 -1.70 1.50 0.00 0.04 0.00 0.00 34.50 34.12 1gg4 s PRO 710 CO 0.27 -2.94 2.13 0.93 0.04 0.00 0.00 177.00 177.43 1gg4 h GLU 711 N -2.05 0.00 -0.55 4.56 5.08 -1.98 0.22 114.58 119.85 1gg4 h GLU 711 Ca -0.56 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1gg4 h GLU 711 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1gg4 h GLU 711 CO 0.55 0.00 0.00 0.27 -1.00 0.00 0.00 179.01 178.83 1gg4 n ASN 712 N -4.18 3.29 -4.79 1.42 0.23 -1.26 -4.74 115.26 105.22 1gg4 n ASN 712 Ca 0.00 -1.98 -0.31 0.00 -0.53 0.00 0.00 54.58 51.77 1gg4 n ASN 712 Cb 0.24 -0.37 0.08 0.00 -2.08 0.00 0.00 39.78 37.65 1gg4 n ASN 712 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1gg4 s GLY 713 N -1.14 1.66 -0.13 4.83 0.00 0.75 -4.90 107.32 108.40 1gg4 s GLY 713 Ca 0.41 0.11 -0.02 0.00 0.00 0.00 0.00 44.72 45.22 1gg4 s GLY 713 CO 0.29 0.46 -0.07 -0.42 0.00 0.00 0.00 173.10 173.36 1gg4 s ILE 714 N -3.00 3.61 -0.24 0.90 1.01 -0.57 -3.38 121.20 119.53 1gg4 s ILE 714 Ca 0.60 -0.48 -0.09 0.00 0.00 0.00 0.00 60.65 60.69 1gg4 s ILE 714 Cb -0.15 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 1gg4 s ILE 714 CO 0.55 0.53 0.11 0.00 0.00 0.00 0.00 174.94 176.14 1gg4 s ALA 715 N 0.06 3.39 0.37 9.38 0.00 -0.06 -2.11 121.76 132.79 1gg4 s ALA 715 Ca -0.02 -0.98 0.08 0.00 0.00 0.00 0.00 51.96 51.04 1gg4 s ALA 715 Cb -0.14 -2.18 -0.06 0.00 0.00 0.00 0.00 23.12 20.75 1gg4 s ALA 715 CO 0.03 -0.29 0.07 0.42 0.00 0.00 0.00 175.76 176.00 1gg4 s ILE 716 N 1.25 2.50 -0.31 0.00 1.01 -0.48 -0.73 121.20 124.44 1gg4 s ILE 716 Ca 0.06 -1.87 -0.11 0.00 0.00 0.00 0.00 60.65 58.74 1gg4 s ILE 716 Cb -0.14 -2.90 -0.02 0.00 0.01 0.00 0.00 42.46 39.41 1gg4 s ILE 716 CO 0.05 -0.12 0.18 0.21 0.00 0.00 0.00 174.94 175.26 1gg4 s ASN 718 N -3.78 5.74 0.56 3.58 3.04 -1.24 -2.96 114.94 119.87 1gg4 s ASN 718 Ca 0.37 -0.39 0.25 0.00 0.04 0.00 0.00 52.86 53.14 1gg4 s ASN 718 Cb 0.02 -2.05 1.50 0.00 -1.54 0.00 0.00 41.25 39.18 1gg4 s ASN 718 CO 0.20 -0.17 2.08 0.00 -3.04 0.00 0.00 177.10 176.17 1gg4 h ALA 719 N 8.38 2.06 -0.02 1.71 0.00 -0.32 -2.08 119.26 128.99 1gg4 h ALA 719 Ca -0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1gg4 h ALA 719 Cb 1.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1gg4 h ALA 719 CO 0.61 -0.35 -0.05 -0.25 0.00 0.00 0.00 179.25 179.21 1gg4 n ASP 720 N -4.13 2.51 -3.07 0.00 8.00 -1.26 -4.76 116.55 113.84 1gg4 n ASP 720 Ca 0.03 -1.81 0.00 0.00 0.71 0.00 0.00 54.79 53.73 1gg4 n ASP 720 Cb 0.37 0.04 -0.00 0.00 -0.02 0.00 0.00 41.12 41.51 1gg4 n ASP 720 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1gg4 s ASN 721 N -2.05 -1.30 0.22 -2.24 3.84 -0.78 -5.10 114.94 107.52 1gg4 s ASN 721 Ca 0.29 -0.78 -0.04 0.00 0.21 0.00 0.00 52.86 52.55 1gg4 s ASN 721 Cb 0.20 1.67 0.02 0.00 -0.55 0.00 0.00 41.25 42.59 1gg4 s ASN 721 CO 0.34 -0.13 0.35 -0.46 -2.79 0.00 0.00 177.10 174.41 1gg4 n ASN 722 N 4.09 -0.99 -2.65 -4.21 0.23 -1.24 -4.33 115.26 106.15 1gg4 n ASN 722 Ca 0.11 -2.05 -0.10 0.00 -0.53 0.00 0.00 54.58 52.01 1gg4 n ASN 722 Cb 0.58 1.76 0.03 0.00 -2.08 0.00 0.00 39.78 40.07 1gg4 n ASN 722 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1gg4 n ASP 723 N -1.64 1.84 -0.34 0.53 4.64 -1.26 -4.94 116.55 115.37 1gg4 n ASP 723 Ca -0.02 -2.74 0.17 0.00 -1.38 0.00 0.00 54.79 50.82 1gg4 n ASP 723 Cb 0.35 -0.51 0.39 0.00 -1.04 0.00 0.00 41.12 40.30 1gg4 n ASP 723 CO 0.00 0.00 0.00 -0.25 -0.82 0.00 0.00 177.20 176.13 1gg4 h TRP 724 N 2.90 1.00 -1.00 -0.67 2.91 -1.98 0.46 115.95 119.57 1gg4 h TRP 724 Ca -0.06 0.03 0.28 0.00 1.13 0.00 0.00 58.89 60.28 1gg4 h TRP 724 Cb 1.17 -0.29 -0.05 0.00 -0.51 0.00 0.00 29.16 29.48 1gg4 h TRP 724 CO 0.54 0.09 0.70 1.25 -1.03 0.00 0.00 178.44 179.99 1gg4 h LEU 725 N 0.60 0.10 0.00 0.65 5.85 -2.01 0.05 115.31 120.54 1gg4 h LEU 725 Ca 0.63 0.02 -0.34 0.00 0.84 0.00 0.00 57.88 59.03 1gg4 h LEU 725 Cb 1.20 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.17 1gg4 h LEU 725 CO -0.45 0.03 -2.20 0.59 -0.34 0.00 0.00 178.44 176.07 1gg4 n ASN 726 N -4.32 2.04 0.26 1.25 3.02 -0.12 -4.48 115.26 112.91 1gg4 n ASN 726 Ca 0.21 0.05 0.18 0.00 -0.03 0.00 0.00 54.58 55.00 1gg4 n ASN 726 Cb 1.00 -0.47 0.89 0.00 -0.61 0.00 0.00 39.78 40.59 1gg4 n ASN 726 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 1gg4 h TRP 727 N -0.34 0.00 0.00 3.10 6.55 -0.61 -1.05 115.95 123.60 1gg4 h TRP 727 Ca -0.50 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.33 1gg4 h TRP 727 Cb 1.62 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.92 1gg4 h TRP 727 CO -0.02 0.00 -0.05 -0.56 -1.05 0.00 0.00 178.44 176.76 1gg4 h GLN 728 N 0.00 0.00 0.02 0.49 3.07 -1.22 0.15 115.11 117.63 1gg4 h GLN 728 Ca 0.06 0.00 -0.21 0.00 0.09 0.00 0.00 58.65 58.59 1gg4 h GLN 728 Cb 0.53 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.07 1gg4 h GLN 728 CO -0.00 0.05 -0.96 0.66 0.09 0.00 0.00 178.83 178.67 1gg4 h SER 729 N 0.00 0.16 0.21 0.06 4.64 -1.46 -2.66 113.55 114.51 1gg4 h SER 729 Ca -0.00 -0.15 -0.35 0.00 -0.47 0.00 0.00 61.79 60.82 1gg4 h SER 729 Cb 0.18 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1gg4 h SER 729 CO 0.01 1.03 -1.75 1.62 -0.87 0.00 0.00 176.83 176.86 1gg4 h VAL 730 N 0.05 0.93 0.00 0.95 3.04 -1.44 -3.36 116.25 116.42 1gg4 h VAL 730 Ca -0.04 -2.53 -0.07 0.00 -1.01 0.00 0.00 66.70 63.05 1gg4 h VAL 730 Cb 1.65 2.74 -0.01 0.00 -2.01 0.00 0.00 31.29 33.66 1gg4 h VAL 730 CO 0.14 0.86 -0.32 0.16 -1.01 0.00 0.00 177.57 177.39 1gg4 h ILE 731 N 0.10 0.75 0.00 3.17 -0.00 -0.84 -3.42 117.51 117.27 1gg4 h ILE 731 Ca -0.34 -1.41 0.00 0.00 -0.00 0.00 0.00 64.86 63.11 1gg4 h ILE 731 Cb 2.09 1.90 0.00 0.00 -0.00 0.00 0.00 36.82 40.81 1gg4 h ILE 731 CO 0.17 0.32 0.00 0.61 -0.00 0.00 0.00 178.15 179.25 1gg4 n GLY 732 N 0.28 1.38 1.81 0.16 0.00 -1.00 -3.07 105.19 104.74 1gg4 n GLY 732 Ca 0.00 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.24 1gg4 n GLY 732 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gg4 n SER 733 N 4.38 3.33 -4.87 1.61 7.64 -1.26 -4.91 113.62 119.53 1gg4 n SER 733 Ca 0.00 -3.65 -0.29 0.00 1.01 0.00 0.00 58.87 55.94 1gg4 n SER 733 Cb 0.00 -0.76 0.09 0.00 -1.01 0.00 0.00 64.21 62.54 1gg4 n SER 733 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1gg4 s ARG 734 N -3.26 1.90 0.36 1.43 0.52 -1.17 -5.01 118.95 113.71 1gg4 s ARG 734 Ca 0.52 0.20 -0.27 0.00 -0.52 0.00 0.00 55.73 55.66 1gg4 s ARG 734 Cb 0.45 -1.93 -0.09 0.00 0.52 0.00 0.00 34.95 33.89 1gg4 s ARG 734 CO 0.07 -1.66 1.20 0.15 0.02 0.00 0.00 175.30 175.08 1gg4 s LYS 735 N -5.48 4.25 -0.05 3.54 1.02 -1.22 -4.92 119.74 116.88 1gg4 s LYS 735 Ca 0.62 1.96 0.02 0.00 0.02 0.00 0.00 55.97 58.58 1gg4 s LYS 735 Cb -0.12 -2.89 0.02 0.00 -0.52 0.00 0.00 37.83 34.31 1gg4 s LYS 735 CO 0.50 -0.19 -0.07 0.08 -0.92 0.00 0.00 175.35 174.75 1gg4 s VAL 736 N -1.28 0.75 -0.03 3.17 1.01 -1.26 -0.88 120.40 121.88 1gg4 s VAL 736 Ca 0.52 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.30 1gg4 s VAL 736 Cb -0.34 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 1gg4 s VAL 736 CO 0.44 0.26 -0.22 0.26 0.00 0.00 0.00 175.10 175.84 1gg4 s TRP 737 N 0.69 2.47 0.19 5.22 0.51 0.09 -4.96 118.94 123.16 1gg4 s TRP 737 Ca -0.11 -0.38 0.11 0.00 -2.12 0.00 0.00 56.10 53.60 1gg4 s TRP 737 Cb -0.14 -1.55 -0.04 0.00 -0.81 0.00 0.00 33.47 30.92 1gg4 s TRP 737 CO 0.01 0.02 -0.20 1.03 -0.51 0.00 0.00 176.95 177.30 1gg4 s ARG 738 N -0.60 1.68 0.01 4.98 0.52 -1.26 -4.11 118.95 120.17 1gg4 s ARG 738 Ca 0.09 -1.46 -0.01 0.00 -0.52 0.00 0.00 55.73 53.83 1gg4 s ARG 738 Cb -0.11 -1.93 -0.01 0.00 0.52 0.00 0.00 34.95 33.42 1gg4 s ARG 738 CO -0.00 0.41 -0.01 -0.59 0.02 0.00 0.00 175.30 175.13 1gg4 s PHE 739 N -1.71 0.18 0.00 -0.53 -0.12 -1.26 -1.53 117.98 113.01 1gg4 s PHE 739 Ca 0.22 -0.38 0.00 0.00 -0.05 0.00 0.00 56.93 56.73 1gg4 s PHE 739 Cb -0.08 -0.14 0.00 0.00 -0.63 0.00 0.00 43.02 42.17 1gg4 s PHE 739 CO 0.12 -0.15 0.00 0.45 -0.05 0.00 0.00 175.22 175.58 1gg4 n SER 740 N 1.93 0.00 -0.13 1.98 2.88 -0.83 0.47 113.62 119.92 1gg4 n SER 740 Ca -0.21 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.51 1gg4 n SER 740 Cb 0.56 0.00 0.57 0.00 -0.75 0.00 0.00 64.21 64.59 1gg4 n SER 740 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1gg4 h PRO 741 N 0.00 0.26 0.00 -1.46 0.11 -1.91 -3.34 132.00 125.66 1gg4 h PRO 741 Ca 0.00 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.00 1gg4 h PRO 741 Cb 0.00 -0.06 -0.11 0.00 0.11 0.00 0.00 31.00 30.95 1gg4 h PRO 741 CO 0.00 0.17 -0.27 0.27 -0.21 0.00 0.00 178.00 177.97 1gg4 n ASN 742 N -4.44 -0.51 -4.77 -2.05 2.04 -1.26 -0.65 115.26 103.63 1gg4 n ASN 742 Ca 0.14 -1.70 -0.39 0.00 -0.44 0.00 0.00 54.58 52.20 1gg4 n ASN 742 Cb 0.60 0.14 -0.01 0.00 -2.53 0.00 0.00 39.78 37.98 1gg4 n ASN 742 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1gg4 s ALA 743 N 0.00 3.16 0.20 -2.53 0.00 -1.26 -4.91 121.76 116.42 1gg4 s ALA 743 Ca 0.03 1.06 -0.12 0.00 0.00 0.00 0.00 51.96 52.93 1gg4 s ALA 743 Cb 0.03 -3.42 0.25 0.00 0.00 0.00 0.00 23.12 19.98 1gg4 s ALA 743 CO -0.01 -0.67 1.67 0.00 0.00 0.00 0.00 175.76 176.75 1gg4 h ALA 744 N 2.55 0.55 -0.31 0.00 0.00 -1.98 -1.98 119.26 118.08 1gg4 h ALA 744 Ca -0.49 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1gg4 h ALA 744 Cb 1.24 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1gg4 h ALA 744 CO 0.62 -0.39 0.00 0.27 0.00 0.00 0.00 179.25 179.75 1gg4 n ASN 745 N -5.26 2.86 -4.82 0.00 6.94 -1.26 -4.95 115.26 108.76 1gg4 n ASN 745 Ca 0.08 -2.30 -0.34 0.00 -0.02 0.00 0.00 54.58 52.00 1gg4 n ASN 745 Cb 0.32 -0.47 -0.07 0.00 -2.36 0.00 0.00 39.78 37.20 1gg4 n ASN 745 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1gg4 s SER 746 N -0.60 6.96 -0.09 0.53 0.15 -0.75 -4.68 113.70 115.22 1gg4 s SER 746 Ca 0.26 1.55 0.16 0.00 0.70 0.00 0.00 55.95 58.62 1gg4 s SER 746 Cb 0.18 -2.48 -0.24 0.00 -1.71 0.00 0.00 66.02 61.77 1gg4 s SER 746 CO 0.11 -0.23 0.22 0.47 1.20 0.00 0.00 173.24 175.02 1gg4 n ASP 747 N -0.23 0.93 -4.08 5.45 9.92 -0.58 -4.80 116.55 123.15 1gg4 n ASP 747 Ca 0.04 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 53.98 1gg4 n ASP 747 Cb 0.53 1.36 -0.15 0.00 -0.64 0.00 0.00 41.12 42.22 1gg4 n ASP 747 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1gg4 s PHE 748 N -2.81 3.37 0.26 1.24 0.40 -1.02 -4.04 117.98 115.37 1gg4 s PHE 748 Ca -0.07 -2.37 0.10 0.00 -0.60 0.00 0.00 56.93 53.98 1gg4 s PHE 748 Cb 0.08 -2.18 -0.04 0.00 0.51 0.00 0.00 43.02 41.39 1gg4 s PHE 748 CO 0.71 -0.88 -0.05 0.99 0.70 0.00 0.00 175.22 176.68 1gg4 s THR 749 N 1.09 3.22 -0.04 0.64 2.01 -0.58 -1.97 115.64 120.02 1gg4 s THR 749 Ca -0.04 -1.99 0.03 0.00 0.31 0.00 0.00 61.69 60.00 1gg4 s THR 749 Cb -0.20 -2.70 0.00 0.00 0.01 0.00 0.00 72.50 69.61 1gg4 s THR 749 CO -0.05 -0.35 -0.13 0.00 -0.69 0.00 0.00 174.62 173.40 1gg4 s ALA 750 N -2.29 1.20 0.30 7.40 0.00 0.17 -0.87 121.76 127.68 1gg4 s ALA 750 Ca 0.30 -0.49 0.05 0.00 0.00 0.00 0.00 51.96 51.82 1gg4 s ALA 750 Cb -0.06 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.58 1gg4 s ALA 750 CO 0.18 0.19 0.22 0.95 0.00 0.00 0.00 175.76 177.31 1gg4 s THR 751 N 0.22 0.06 -1.60 0.00 -4.23 -0.51 -4.64 115.64 104.95 1gg4 s THR 751 Ca -0.05 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.33 1gg4 s THR 751 Cb -0.11 -2.49 0.10 0.00 1.34 0.00 0.00 72.50 71.34 1gg4 s THR 751 CO 0.02 0.00 0.68 0.59 -0.54 0.00 0.00 174.62 175.36 1gg4 n ASN 752 N -1.16 -2.44 -4.60 3.99 3.02 -1.26 -0.39 115.26 112.42 1gg4 n ASN 752 Ca 0.05 -0.99 -0.43 0.00 -0.03 0.00 0.00 54.58 53.18 1gg4 n ASN 752 Cb 0.64 -2.93 -0.02 0.00 -0.61 0.00 0.00 39.78 36.85 1gg4 n ASN 752 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1gg4 s ILE 753 N -3.52 3.63 -0.25 2.41 1.01 -1.26 -4.18 121.20 119.04 1gg4 s ILE 753 Ca 0.49 0.63 0.02 0.00 0.00 0.00 0.00 60.65 61.79 1gg4 s ILE 753 Cb -0.27 -3.88 0.06 0.00 0.01 0.00 0.00 42.46 38.38 1gg4 s ILE 753 CO 0.91 -0.58 -0.07 -2.28 0.00 0.00 0.00 174.94 172.91 1gg4 s HIS 754 N 6.45 2.80 0.52 3.97 2.46 0.52 -5.00 115.29 127.00 1gg4 s HIS 754 Ca 0.72 -2.04 -0.19 0.00 0.47 0.00 0.00 55.06 54.02 1gg4 s HIS 754 Cb -0.18 -1.77 -0.07 0.00 -0.13 0.00 0.00 32.58 30.43 1gg4 s HIS 754 CO 0.32 -0.83 1.06 0.54 -2.47 0.00 0.00 174.74 173.36 1gg4 s VAL 755 N 1.26 3.69 0.19 0.89 0.11 -1.26 -1.32 120.40 123.96 1gg4 s VAL 755 Ca -0.07 1.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.99 1gg4 s VAL 755 Cb -0.19 -3.41 -0.04 0.00 -1.53 0.00 0.00 36.38 31.20 1gg4 s VAL 755 CO -0.06 -0.28 0.08 -0.89 -3.33 0.00 0.00 175.10 170.62 1gg4 s THR 756 N -2.04 0.25 0.36 5.04 2.01 -1.02 -4.91 115.64 115.33 1gg4 s THR 756 Ca 0.67 -1.97 0.09 0.00 0.31 0.00 0.00 61.69 60.79 1gg4 s THR 756 Cb -0.17 -2.34 0.32 0.00 0.01 0.00 0.00 72.50 70.32 1gg4 s THR 756 CO 0.24 -0.21 1.87 0.77 -0.69 0.00 0.00 174.62 176.61 1gg4 h SER 757 N 2.65 0.65 0.00 3.53 4.64 -1.97 -3.27 113.55 119.79 1gg4 h SER 757 Ca -0.36 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1gg4 h SER 757 Cb 1.23 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1gg4 h SER 757 CO 0.58 0.33 0.00 1.41 -0.87 0.00 0.00 176.83 178.28 1gg4 n HIS 758 N -4.56 0.00 -4.03 4.77 8.25 -1.26 -4.96 115.22 113.42 1gg4 n HIS 758 Ca 0.17 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.52 1gg4 n HIS 758 Cb 0.47 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.55 1gg4 n HIS 758 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gg4 n GLY 759 N 2.67 2.85 3.74 -1.41 0.00 -1.23 -4.61 105.19 107.19 1gg4 n GLY 759 Ca 0.00 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 1gg4 n GLY 759 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gg4 s THR 760 N -2.78 3.75 -0.05 2.61 2.01 -0.38 -2.45 115.64 118.36 1gg4 s THR 760 Ca 0.22 1.47 0.04 0.00 0.31 0.00 0.00 61.69 63.73 1gg4 s THR 760 Cb 0.00 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 1gg4 s THR 760 CO 0.16 0.23 -0.14 -1.61 -0.69 0.00 0.00 174.62 172.57 1gg4 s GLU 761 N -0.19 2.49 0.07 4.92 2.02 -0.43 0.19 118.70 127.77 1gg4 s GLU 761 Ca 0.52 -0.70 -0.27 0.00 0.02 0.00 0.00 54.97 54.53 1gg4 s GLU 761 Cb -0.31 -2.37 0.09 0.00 0.10 0.00 0.00 34.13 31.63 1gg4 s GLU 761 CO 0.35 0.62 0.96 -0.59 0.02 0.00 0.00 175.26 176.63 1gg4 s PHE 762 N -0.74 -0.21 -0.28 1.61 -0.12 -0.94 -0.36 117.98 116.94 1gg4 s PHE 762 Ca 0.12 -0.01 -0.15 0.00 -0.05 0.00 0.00 56.93 56.84 1gg4 s PHE 762 Cb -0.11 0.59 -0.03 0.00 -0.63 0.00 0.00 43.02 42.84 1gg4 s PHE 762 CO 0.01 -0.66 0.37 0.99 -0.05 0.00 0.00 175.22 175.88 1gg4 s THR 763 N -3.13 5.17 -0.27 -4.49 2.01 0.48 -1.03 115.64 114.38 1gg4 s THR 763 Ca 0.09 0.50 -0.21 0.00 0.31 0.00 0.00 61.69 62.39 1gg4 s THR 763 Cb -0.01 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.78 1gg4 s THR 763 CO -0.03 0.13 0.66 -0.22 -0.69 0.00 0.00 174.62 174.47 1gg4 s LEU 764 N 2.07 4.09 -0.21 4.42 2.96 0.71 -1.42 118.68 131.29 1gg4 s LEU 764 Ca 0.15 0.64 -0.03 0.00 -0.22 0.00 0.00 54.13 54.66 1gg4 s LEU 764 Cb -0.16 -2.88 -0.00 0.00 0.50 0.00 0.00 46.19 43.65 1gg4 s LEU 764 CO 0.10 -0.44 -0.08 -1.10 -1.32 0.00 0.00 176.35 173.52 1gg4 s GLN 765 N 2.60 3.27 0.50 1.98 -0.21 -0.05 -0.41 119.66 127.33 1gg4 s GLN 765 Ca 0.27 -0.69 0.02 0.00 0.02 0.00 0.00 55.36 54.99 1gg4 s GLN 765 Cb -0.15 -2.91 -0.02 0.00 1.00 0.00 0.00 33.01 30.93 1gg4 s GLN 765 CO 0.10 -0.21 0.03 0.95 -2.12 0.00 0.00 175.29 174.04 1gg4 s THR 766 N 1.43 1.34 0.51 -0.19 -4.23 0.11 -1.53 115.64 113.08 1gg4 s THR 766 Ca 0.05 -1.96 0.37 0.00 -1.18 0.00 0.00 61.69 58.98 1gg4 s THR 766 Cb -0.14 -2.30 0.40 0.00 1.34 0.00 0.00 72.50 71.79 1gg4 s THR 766 CO -0.06 0.00 2.23 -0.65 -0.54 0.00 0.00 174.62 175.61 1gg4 h PRO 767 N 1.37 0.00 -0.02 3.99 0.11 -2.00 -2.62 132.00 132.84 1gg4 h PRO 767 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1gg4 h PRO 767 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1gg4 h PRO 767 CO 0.74 0.02 -0.22 0.25 -0.21 0.00 0.00 178.00 178.58 1gg4 n THR 768 N -3.31 0.00 -2.38 -1.15 -2.24 -1.26 -5.09 114.28 98.85 1gg4 n THR 768 Ca -0.02 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1gg4 n THR 768 Cb 0.14 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 1gg4 n THR 768 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gg4 n GLY 769 N 1.10 -0.64 3.25 3.38 0.00 -0.99 -5.10 105.19 106.20 1gg4 n GLY 769 Ca 0.08 -1.48 -0.21 0.00 0.00 0.00 0.00 46.02 44.41 1gg4 n GLY 769 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gg4 s SER 770 N -3.66 2.24 -0.06 1.61 0.01 -1.26 0.06 113.70 112.64 1gg4 s SER 770 Ca 0.00 -0.70 -0.03 0.00 1.31 0.00 0.00 55.95 56.53 1gg4 s SER 770 Cb 0.00 -0.11 0.04 0.00 0.21 0.00 0.00 66.02 66.16 1gg4 s SER 770 CO 0.00 -0.02 0.14 0.68 0.41 0.00 0.00 173.24 174.45 1gg4 s VAL 771 N -1.43 -0.07 -0.20 3.43 -7.23 0.45 -4.94 120.40 110.40 1gg4 s VAL 771 Ca 0.06 0.21 -0.28 0.00 -1.81 0.00 0.00 61.98 60.15 1gg4 s VAL 771 Cb -0.09 -0.23 -0.00 0.00 0.56 0.00 0.00 36.38 36.62 1gg4 s VAL 771 CO 0.04 0.08 0.96 -1.81 -0.31 0.00 0.00 175.10 174.06 1gg4 s ASP 772 N 1.30 7.05 0.35 4.85 1.01 -1.26 -0.21 116.67 129.76 1gg4 s ASP 772 Ca -0.08 1.31 0.05 0.00 0.71 0.00 0.00 52.55 54.54 1gg4 s ASP 772 Cb -0.12 -2.51 -0.07 0.00 1.01 0.00 0.00 42.92 41.24 1gg4 s ASP 772 CO -0.06 -0.56 0.03 0.68 0.21 0.00 0.00 175.17 175.47 1gg4 s VAL 773 N 2.76 1.52 -0.39 -1.27 -7.23 -0.20 -4.97 120.40 110.61 1gg4 s VAL 773 Ca 0.42 -2.02 0.02 0.00 -1.81 0.00 0.00 61.98 58.59 1gg4 s VAL 773 Cb -0.16 -2.81 0.12 0.00 0.56 0.00 0.00 36.38 34.08 1gg4 s VAL 773 CO 0.09 -0.04 0.16 -0.22 -0.31 0.00 0.00 175.10 174.78 1gg4 s LEU 774 N -3.55 3.37 -0.57 1.32 2.96 -1.26 -2.21 118.68 118.74 1gg4 s LEU 774 Ca 0.35 -2.31 -0.28 0.00 -0.22 0.00 0.00 54.13 51.67 1gg4 s LEU 774 Cb 0.08 -1.24 0.02 0.00 0.50 0.00 0.00 46.19 45.55 1gg4 s LEU 774 CO 0.16 -0.33 1.36 -0.22 -1.32 0.00 0.00 176.35 176.00 1gg4 s LEU 775 N 0.71 3.40 0.00 -0.68 2.96 0.13 -4.17 118.68 121.04 1gg4 s LEU 775 Ca 0.14 0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 54.26 1gg4 s LEU 775 Cb -0.21 -3.06 -0.04 0.00 0.50 0.00 0.00 46.19 43.37 1gg4 s LEU 775 CO -0.09 -1.67 1.69 -0.81 -1.32 0.00 0.00 176.35 174.16 1gg4 n PRO 776 N 8.64 0.86 -3.87 0.98 -0.04 -1.26 -1.24 135.00 139.07 1gg4 n PRO 776 Ca 0.11 -0.16 -0.21 0.00 -0.04 0.00 0.00 63.50 63.20 1gg4 n PRO 776 Cb 0.49 -1.32 -0.17 0.00 -0.04 0.00 0.00 33.50 32.46 1gg4 n PRO 776 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1gg4 s LEU 777 N 0.00 0.81 0.28 1.53 1.43 -1.26 -4.74 118.68 116.73 1gg4 s LEU 777 Ca 0.11 -0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 52.84 1gg4 s LEU 777 Cb 0.05 -0.37 -0.11 0.00 0.03 0.00 0.00 46.19 45.79 1gg4 s LEU 777 CO 0.00 -0.15 1.56 -2.84 0.23 0.00 0.00 176.35 175.15 1gg4 s PRO 778 N 1.60 4.15 0.00 1.29 0.02 -1.26 -4.43 135.00 136.37 1gg4 s PRO 778 Ca -0.01 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.53 1gg4 s PRO 778 Cb -0.13 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.35 1gg4 s PRO 778 CO -0.03 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 176.46 1gg4 n GLY 779 N 2.23 3.26 0.25 0.52 0.00 -1.26 -4.84 105.19 105.36 1gg4 n GLY 779 Ca 0.08 -0.96 0.12 0.00 0.00 0.00 0.00 46.02 45.26 1gg4 n GLY 779 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1gg4 h ARG 780 N 0.00 0.00 0.00 1.61 0.11 -1.98 -1.76 114.38 112.36 1gg4 h ARG 780 Ca 0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.06 1gg4 h ARG 780 Cb 0.00 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.08 1gg4 h ARG 780 CO 0.00 0.15 -0.08 1.12 0.10 0.00 0.00 179.97 181.26 1gg4 h HIS 781 N 0.00 0.00 0.00 4.08 2.07 -1.97 -0.97 115.15 118.36 1gg4 h HIS 781 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1gg4 h HIS 781 Cb 0.44 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.42 1gg4 h HIS 781 CO 0.00 0.08 0.00 -0.91 -3.07 0.00 0.00 177.93 174.03 1gg4 h ASN 782 N 0.00 0.00 -0.27 3.10 2.35 -1.64 -3.04 115.58 116.08 1gg4 h ASN 782 Ca -0.00 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 1gg4 h ASN 782 Cb 0.40 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 1gg4 h ASN 782 CO 0.01 0.00 -0.23 0.40 -1.65 0.00 0.00 177.43 175.96 1gg4 h ILE 783 N 0.00 1.31 -0.79 2.81 2.04 -1.28 -0.76 117.51 120.84 1gg4 h ILE 783 Ca 0.00 -1.39 -0.03 0.00 1.00 0.00 0.00 64.86 64.44 1gg4 h ILE 783 Cb 0.70 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 38.34 1gg4 h ILE 783 CO 0.00 0.44 0.36 0.00 0.00 0.00 0.00 178.15 178.95 1gg4 h ALA 784 N 0.70 1.15 -0.85 1.87 0.00 -1.61 -1.58 119.26 118.95 1gg4 h ALA 784 Ca 0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1gg4 h ALA 784 Cb 0.79 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1gg4 h ALA 784 CO 0.06 0.63 0.41 -0.91 0.00 0.00 0.00 179.25 179.44 1gg4 h ASN 785 N 1.13 1.11 -0.33 0.00 4.21 -1.41 -1.27 115.58 119.02 1gg4 h ASN 785 Ca 0.27 -0.13 -0.07 0.00 1.21 0.00 0.00 56.30 57.57 1gg4 h ASN 785 Cb 0.14 -0.29 -0.02 0.00 -1.12 0.00 0.00 38.32 37.03 1gg4 h ASN 785 CO -0.03 0.94 -0.03 0.00 -1.29 0.00 0.00 177.43 177.02 1gg4 h ALA 786 N 1.23 1.15 -0.29 -0.83 0.00 -0.50 0.36 119.26 120.39 1gg4 h ALA 786 Ca 0.29 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1gg4 h ALA 786 Cb 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1gg4 h ALA 786 CO -0.04 0.55 -0.53 -0.07 0.00 0.00 0.00 179.25 179.15 1gg4 h LEU 787 N 0.66 0.97 -0.21 0.00 3.38 -0.75 0.35 115.31 119.71 1gg4 h LEU 787 Ca 0.13 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 1gg4 h LEU 787 Cb 0.45 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1gg4 h LEU 787 CO 0.02 1.32 0.11 0.00 0.09 0.00 0.00 178.44 179.98 1gg4 h ALA 788 N 0.68 0.27 -0.49 1.53 0.00 -0.98 0.11 119.26 120.38 1gg4 h ALA 788 Ca 0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1gg4 h ALA 788 Cb 1.15 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1gg4 h ALA 788 CO 0.12 -0.19 0.12 0.00 0.00 0.00 0.00 179.25 179.30 1gg4 h ALA 789 N 0.99 1.31 -0.57 0.00 0.00 -0.85 0.68 119.26 120.82 1gg4 h ALA 789 Ca 0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1gg4 h ALA 789 Cb 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1gg4 h ALA 789 CO -0.01 0.49 0.20 0.00 0.00 0.00 0.00 179.25 179.93 1gg4 h ALA 790 N 1.43 0.74 0.57 0.00 0.00 0.41 -1.35 119.26 121.06 1gg4 h ALA 790 Ca 0.16 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1gg4 h ALA 790 Cb 0.25 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1gg4 h ALA 790 CO -0.00 0.39 -0.28 0.00 0.00 0.00 0.00 179.25 179.36 1gg4 h ALA 791 N 1.06 -0.77 -0.89 0.00 0.00 0.11 -3.16 119.26 115.61 1gg4 h ALA 791 Ca 0.19 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1gg4 h ALA 791 Cb 0.25 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 1gg4 h ALA 791 CO -0.01 -0.82 0.53 -0.07 0.00 0.00 0.00 179.25 178.88 1gg4 h LEU 792 N -1.00 0.77 -1.49 0.00 3.38 -0.92 -1.00 115.31 115.04 1gg4 h LEU 792 Ca -0.08 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1gg4 h LEU 792 Cb 0.65 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1gg4 h LEU 792 CO 0.13 0.43 0.00 -1.20 0.09 0.00 0.00 178.44 177.89 1gg4 n SER 793 N -4.69 0.61 0.00 -0.43 7.64 -0.51 -3.98 113.62 112.25 1gg4 n SER 793 Ca 0.15 -0.61 0.00 0.00 1.01 0.00 0.00 58.87 59.42 1gg4 n SER 793 Cb 0.29 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 1gg4 n SER 793 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1gg4 n SER 795 N 0.59 0.00 -0.58 6.43 3.41 -0.38 -1.65 113.62 121.44 1gg4 n SER 795 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.66 1gg4 n SER 795 Cb 0.11 -0.10 0.19 0.00 -0.26 0.00 0.00 64.21 64.16 1gg4 n SER 795 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1gg4 n VAL 796 N -0.20 2.19 -0.17 -3.33 0.24 -1.26 -4.93 118.33 110.87 1gg4 n VAL 796 Ca 0.00 -2.71 0.00 0.00 -2.04 0.00 0.00 64.34 59.59 1gg4 n VAL 796 Cb 0.00 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.11 1gg4 n VAL 796 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1gg4 n GLY 797 N -1.15 0.90 3.75 7.63 0.00 -1.23 -5.06 105.19 110.03 1gg4 n GLY 797 Ca 0.21 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1gg4 n GLY 797 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gg4 s ALA 798 N -2.00 3.40 0.36 4.61 0.00 -0.66 -5.02 121.76 122.46 1gg4 s ALA 798 Ca 0.00 0.89 -0.02 0.00 0.00 0.00 0.00 51.96 52.83 1gg4 s ALA 798 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1gg4 s ALA 798 CO 0.00 -0.19 0.60 0.95 0.00 0.00 0.00 175.76 177.12 1gg4 s THR 799 N -0.83 5.05 0.22 0.00 -4.23 -1.26 -4.89 115.64 109.69 1gg4 s THR 799 Ca 0.46 -0.21 -0.08 0.00 -1.18 0.00 0.00 61.69 60.68 1gg4 s THR 799 Cb -0.31 -3.84 0.17 0.00 1.34 0.00 0.00 72.50 69.86 1gg4 s THR 799 CO 0.39 -0.58 1.72 -0.07 -0.54 0.00 0.00 174.62 175.55 1gg4 h LEU 800 N 0.83 0.14 -2.05 4.79 3.38 -1.98 0.18 115.31 120.59 1gg4 h LEU 800 Ca -0.49 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1gg4 h LEU 800 Cb 1.21 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 1gg4 h LEU 800 CO 0.62 0.07 0.00 0.44 0.09 0.00 0.00 178.44 179.67 1gg4 h ASP 801 N 0.35 0.00 0.59 -0.43 5.19 -1.97 0.14 116.42 120.28 1gg4 h ASP 801 Ca 0.33 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.46 1gg4 h ASP 801 Cb 0.48 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.99 1gg4 h ASP 801 CO -0.37 0.00 -1.27 0.00 -3.12 0.00 0.00 179.24 174.47 1gg4 h ALA 802 N 2.00 0.06 -0.75 3.45 0.00 -1.12 -1.32 119.26 121.58 1gg4 h ALA 802 Ca 0.00 -0.88 -0.05 0.00 0.00 0.00 0.00 54.91 53.98 1gg4 h ALA 802 Cb 0.01 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1gg4 h ALA 802 CO -0.00 0.94 0.29 0.82 0.00 0.00 0.00 179.25 181.30 1gg4 h ILE 803 N 0.08 1.26 0.42 0.00 2.04 0.20 0.12 117.51 121.64 1gg4 h ILE 803 Ca -0.15 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 1gg4 h ILE 803 Cb 2.00 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1gg4 h ILE 803 CO 0.21 0.33 -0.20 0.50 0.00 0.00 0.00 178.15 178.99 1gg4 h LYS 804 N 1.09 -0.55 -0.61 2.37 3.64 -0.77 -0.59 116.57 121.15 1gg4 h LYS 804 Ca 0.25 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.71 1gg4 h LYS 804 Cb 0.23 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 1gg4 h LYS 804 CO -0.02 -0.24 0.40 0.00 -2.27 0.00 0.00 179.45 177.33 1gg4 h ALA 805 N -0.56 1.70 -0.03 5.00 0.00 -1.17 -0.93 119.26 123.26 1gg4 h ALA 805 Ca -0.06 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1gg4 h ALA 805 Cb 0.56 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1gg4 h ALA 805 CO 0.10 0.23 -0.19 0.78 0.00 0.00 0.00 179.25 180.16 1gg4 h GLY 806 N 0.69 0.20 1.15 0.00 0.00 -0.76 -3.28 103.07 101.06 1gg4 h GLY 806 Ca 0.25 -0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.32 1gg4 h GLY 806 CO -0.07 0.26 0.49 1.41 0.00 0.00 0.00 176.54 178.63 1gg4 h LEU 807 N -0.42 0.78 -2.15 3.11 4.07 -0.74 -3.00 115.31 116.96 1gg4 h LEU 807 Ca -0.02 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.93 1gg4 h LEU 807 Cb 0.88 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.44 1gg4 h LEU 807 CO 0.04 0.54 0.00 0.00 -1.08 0.00 0.00 178.44 177.94 1gg4 h ALA 808 N 1.57 1.00 -0.38 1.53 0.00 -1.24 -3.22 119.26 118.52 1gg4 h ALA 808 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1gg4 h ALA 808 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1gg4 h ALA 808 CO -0.09 0.00 0.00 0.27 0.00 0.00 0.00 179.25 179.43 1gg4 n ASN 809 N -2.97 3.03 -4.63 0.00 0.23 -1.13 -4.71 115.26 105.08 1gg4 n ASN 809 Ca -0.01 -1.93 -0.36 0.00 -0.53 0.00 0.00 54.58 51.75 1gg4 n ASN 809 Cb 0.17 -0.25 0.08 0.00 -2.08 0.00 0.00 39.78 37.70 1gg4 n ASN 809 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1gg4 n LEU 810 N 0.83 3.81 -4.29 -4.53 4.77 -1.22 -5.05 117.00 111.33 1gg4 n LEU 810 Ca 0.14 0.71 -0.18 0.00 -0.03 0.00 0.00 56.01 56.65 1gg4 n LEU 810 Cb 0.46 -1.42 -0.11 0.00 -2.33 0.00 0.00 43.42 40.02 1gg4 n LEU 810 CO 0.10 -1.90 -0.45 -0.54 -1.33 0.00 0.00 177.39 173.27 1gg4 s LYS 811 N -3.22 1.15 0.25 3.23 -0.14 -1.26 -4.87 119.74 114.88 1gg4 s LYS 811 Ca 0.75 -1.39 0.06 0.00 -1.36 0.00 0.00 55.97 54.02 1gg4 s LYS 811 Cb -0.36 -0.99 -0.03 0.00 -1.68 0.00 0.00 37.83 34.76 1gg4 s LYS 811 CO 0.48 0.18 0.33 0.00 -0.76 0.00 0.00 175.35 175.58 1gg4 s ALA 812 N -2.52 3.86 -0.38 5.17 0.00 -1.26 -5.08 121.76 121.56 1gg4 s ALA 812 Ca 0.15 -1.28 -0.26 0.00 0.00 0.00 0.00 51.96 50.57 1gg4 s ALA 812 Cb -0.03 -1.63 0.02 0.00 0.00 0.00 0.00 23.12 21.48 1gg4 s ALA 812 CO 0.04 0.23 0.92 0.08 0.00 0.00 0.00 175.76 177.04 1gg4 s VAL 813 N -2.02 4.58 0.02 0.00 1.01 -1.26 -4.96 120.40 117.76 1gg4 s VAL 813 Ca 0.34 1.15 -0.37 0.00 0.00 0.00 0.00 61.98 63.10 1gg4 s VAL 813 Cb -0.09 -4.34 -0.19 0.00 0.00 0.00 0.00 36.38 31.76 1gg4 s VAL 813 CO 0.28 -0.56 0.97 -2.65 0.00 0.00 0.00 175.10 173.14 1gg4 n PRO 814 N 6.81 0.00 -0.79 2.72 -0.02 -1.26 -0.48 135.00 141.98 1gg4 n PRO 814 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1gg4 n PRO 814 Cb 0.48 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 1gg4 n PRO 814 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gg4 n GLY 815 N 1.50 0.83 2.70 -1.23 0.00 -1.24 -4.88 105.19 102.87 1gg4 n GLY 815 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1gg4 n GLY 815 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gg4 s ARG 816 N -0.21 1.27 -1.68 1.61 1.81 0.37 -1.34 118.95 120.78 1gg4 s ARG 816 Ca 0.00 -2.00 -0.20 0.00 -1.72 0.00 0.00 55.73 51.81 1gg4 s ARG 816 Cb 0.00 -2.30 0.18 0.00 -0.45 0.00 0.00 34.95 32.39 1gg4 s ARG 816 CO 0.00 -1.17 0.64 1.28 -0.68 0.00 0.00 175.30 175.37 1gg4 n LEU 817 N 3.53 -1.19 -4.61 2.53 4.77 -0.94 -4.30 117.00 116.79 1gg4 n LEU 817 Ca 0.09 -1.00 -0.43 0.00 -0.03 0.00 0.00 56.01 54.64 1gg4 n LEU 817 Cb 0.35 -1.80 -0.03 0.00 -2.33 0.00 0.00 43.42 39.61 1gg4 n LEU 817 CO 0.24 0.18 0.88 0.12 -1.33 0.00 0.00 177.39 177.48 1gg4 s PHE 818 N -3.17 3.00 0.31 -1.77 5.36 0.33 -4.55 117.98 117.49 1gg4 s PHE 818 Ca 0.73 0.82 -0.25 0.00 -0.96 0.00 0.00 56.93 57.28 1gg4 s PHE 818 Cb -0.41 -3.92 -0.10 0.00 -0.34 0.00 0.00 43.02 38.25 1gg4 s PHE 818 CO 0.90 -0.97 0.90 -1.25 -1.46 0.00 0.00 175.22 173.34 1gg4 s PRO 819 N 3.83 4.51 -0.21 10.12 0.04 -1.26 0.12 135.00 152.15 1gg4 s PRO 819 Ca 0.43 1.23 -0.02 0.00 0.04 0.00 0.00 61.00 62.67 1gg4 s PRO 819 Cb -0.10 -2.80 0.06 0.00 0.04 0.00 0.00 34.50 31.70 1gg4 s PRO 819 CO 0.22 0.29 0.03 0.42 0.04 0.00 0.00 177.00 178.01 1gg4 s ILE 820 N -1.61 0.65 -0.47 0.56 1.01 0.03 -4.93 121.20 116.44 1gg4 s ILE 820 Ca 0.49 -0.68 -0.28 0.00 0.00 0.00 0.00 60.65 60.18 1gg4 s ILE 820 Cb -0.18 -1.15 0.00 0.00 0.01 0.00 0.00 42.46 41.14 1gg4 s ILE 820 CO 0.23 -0.22 1.53 -1.58 0.00 0.00 0.00 174.94 174.89 1gg4 s GLN 821 N 1.80 3.33 -0.02 2.79 2.00 -1.26 -1.17 119.66 127.13 1gg4 s GLN 821 Ca -0.01 0.82 -0.20 0.00 -2.00 0.00 0.00 55.36 53.96 1gg4 s GLN 821 Cb -0.17 -4.13 -0.13 0.00 0.80 0.00 0.00 33.01 29.38 1gg4 s GLN 821 CO -0.09 -1.87 0.89 -0.07 -0.50 0.00 0.00 175.29 173.65 1gg4 h LEU 822 N 13.23 -0.41 0.00 3.68 3.38 -0.42 -3.49 115.31 131.28 1gg4 h LEU 822 Ca -0.28 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 1gg4 h LEU 822 Cb 1.12 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1gg4 h LEU 822 CO 1.12 0.03 0.05 0.00 0.09 0.00 0.00 178.44 179.73 1gg4 n ALA 823 N -2.63 -0.55 -1.66 1.53 0.00 -1.18 -5.00 120.51 111.02 1gg4 n ALA 823 Ca -0.08 -0.66 -0.46 0.00 0.00 0.00 0.00 53.44 52.24 1gg4 n ALA 823 Cb 0.26 0.53 -0.03 0.00 0.00 0.00 0.00 19.45 20.21 1gg4 n ALA 823 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gg4 n GLU 824 N -0.26 2.01 -1.55 0.00 4.71 -1.26 -1.34 120.64 122.96 1gg4 n GLU 824 Ca -0.02 0.72 -0.13 0.00 -0.01 0.00 0.00 57.16 57.72 1gg4 n GLU 824 Cb 0.28 -2.41 -0.05 0.00 -1.01 0.00 0.00 31.44 28.25 1gg4 n GLU 824 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1gg4 n ASN 825 N 2.56 -3.50 -3.98 1.62 3.02 -1.26 -4.88 115.26 108.85 1gg4 n ASN 825 Ca 0.14 0.30 -0.31 0.00 -0.03 0.00 0.00 54.58 54.67 1gg4 n ASN 825 Cb 0.30 -3.23 -0.13 0.00 -0.61 0.00 0.00 39.78 36.11 1gg4 n ASN 825 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1gg4 s GLN 826 N -3.41 2.03 -0.26 3.52 -0.21 -0.45 -2.34 119.66 118.54 1gg4 s GLN 826 Ca 0.00 -2.56 -0.08 0.00 0.02 0.00 0.00 55.36 52.75 1gg4 s GLN 826 Cb 0.00 -3.37 -0.02 0.00 1.00 0.00 0.00 33.01 30.62 1gg4 s GLN 826 CO 0.00 -1.11 0.08 -1.17 -2.12 0.00 0.00 175.29 170.98 1gg4 s LEU 827 N -0.17 3.59 -0.04 2.90 2.96 -0.89 0.41 118.68 127.44 1gg4 s LEU 827 Ca 0.16 -0.32 -0.09 0.00 -0.22 0.00 0.00 54.13 53.66 1gg4 s LEU 827 Cb -0.25 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 1gg4 s LEU 827 CO -0.01 -0.08 0.26 -0.22 -1.32 0.00 0.00 176.35 174.98 1gg4 s LEU 828 N 1.60 4.41 -0.44 -0.68 2.96 -0.31 -0.97 118.68 125.24 1gg4 s LEU 828 Ca 0.06 0.64 0.03 0.00 -0.22 0.00 0.00 54.13 54.64 1gg4 s LEU 828 Cb -0.16 -2.43 0.12 0.00 0.50 0.00 0.00 46.19 44.23 1gg4 s LEU 828 CO 0.04 0.33 0.19 -0.76 -1.32 0.00 0.00 176.35 174.83 1gg4 s LEU 829 N -1.30 3.91 -0.52 -0.68 1.43 0.30 -0.79 118.68 121.02 1gg4 s LEU 829 Ca 0.22 -2.61 -0.27 0.00 -1.03 0.00 0.00 54.13 50.44 1gg4 s LEU 829 Cb -0.14 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 1gg4 s LEU 829 CO 0.11 -0.29 1.91 -0.62 0.23 0.00 0.00 176.35 177.68 1gg4 s ASP 830 N 0.29 5.34 -0.19 2.29 2.15 0.12 -2.18 116.67 124.50 1gg4 s ASP 830 Ca 0.15 0.69 0.14 0.00 0.43 0.00 0.00 52.55 53.96 1gg4 s ASP 830 Cb -0.23 -2.53 0.44 0.00 -0.30 0.00 0.00 42.92 40.30 1gg4 s ASP 830 CO -0.04 -2.25 1.19 -0.67 -0.17 0.00 0.00 175.17 173.23 1gg4 n ASP 831 N 12.44 2.27 0.00 -0.34 2.03 -0.61 -0.51 116.55 131.84 1gg4 n ASP 831 Ca 0.23 -3.30 0.14 0.00 0.52 0.00 0.00 54.79 52.38 1gg4 n ASP 831 Cb 0.51 -0.44 0.84 0.00 -0.72 0.00 0.00 41.12 41.31 1gg4 n ASP 831 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1gg4 n SER 832 N -0.65 0.00 -0.10 1.67 3.41 -1.15 -4.03 113.62 112.77 1gg4 n SER 832 Ca 0.21 -0.74 -0.06 0.00 -0.26 0.00 0.00 58.87 58.02 1gg4 n SER 832 Cb 0.86 -0.06 0.02 0.00 -0.26 0.00 0.00 64.21 64.76 1gg4 n SER 832 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1gg4 h TYR 833 N 0.00 0.06 -2.56 7.33 3.20 -1.45 -3.42 116.97 120.13 1gg4 h TYR 833 Ca 0.00 0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.03 1gg4 h TYR 833 Cb 0.06 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.30 1gg4 h TYR 833 CO 0.00 -0.02 0.45 1.21 -1.64 0.00 0.00 178.16 178.16 1gg4 s ASN 834 N -5.28 -0.12 -0.28 -2.11 3.84 -1.24 -3.75 114.94 106.00 1gg4 s ASN 834 Ca -0.13 -0.60 -0.21 0.00 0.21 0.00 0.00 52.86 52.13 1gg4 s ASN 834 Cb 0.13 0.57 0.10 0.00 -0.55 0.00 0.00 41.25 41.50 1gg4 s ASN 834 CO 0.71 -1.09 0.85 0.00 -2.79 0.00 0.00 177.10 174.77 1gg4 s ALA 835 N -2.96 -1.96 0.14 1.71 0.00 -1.24 -4.49 121.76 112.97 1gg4 s ALA 835 Ca 0.15 2.13 -0.03 0.00 0.00 0.00 0.00 51.96 54.21 1gg4 s ALA 835 Cb -0.03 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.64 1gg4 s ALA 835 CO 0.05 -0.32 0.11 0.54 0.00 0.00 0.00 175.76 176.14 1gg4 s ASN 836 N 0.87 0.24 0.17 0.00 2.20 -1.26 -3.05 114.94 114.11 1gg4 s ASN 836 Ca -0.04 -1.14 -0.26 0.00 -0.94 0.00 0.00 52.86 50.49 1gg4 s ASN 836 Cb -0.05 0.33 0.01 0.00 -2.00 0.00 0.00 41.25 39.55 1gg4 s ASN 836 CO -0.10 -0.77 1.47 0.52 -2.94 0.00 0.00 177.10 175.28 1gg4 n VAL 837 N -0.13 -0.61 0.05 3.54 0.31 -1.26 -1.95 118.33 118.29 1gg4 n VAL 837 Ca -0.06 2.28 -0.13 0.00 -0.01 0.00 0.00 64.34 66.43 1gg4 n VAL 837 Cb 0.64 -2.87 -0.06 0.00 -0.91 0.00 0.00 33.84 30.63 1gg4 n VAL 837 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1gg4 h GLY 838 N 0.00 -0.73 -1.59 2.92 0.00 -2.00 0.39 103.07 102.06 1gg4 h GLY 838 Ca 0.20 0.50 0.00 0.00 0.00 0.00 0.00 47.33 48.03 1gg4 h GLY 838 CO -0.91 -0.24 0.00 -1.14 0.00 0.00 0.00 176.54 174.25 1gg4 n SER 839 N -5.44 0.53 0.00 0.19 3.41 -0.82 -1.16 113.62 110.33 1gg4 n SER 839 Ca -0.05 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.07 1gg4 n SER 839 Cb 0.36 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1gg4 n SER 839 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1gg4 n THR 841 N 0.67 0.00 0.11 6.66 -1.04 0.14 -0.88 114.28 119.94 1gg4 n THR 841 Ca 0.00 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1gg4 n THR 841 Cb 0.10 0.00 0.10 0.00 -1.82 0.00 0.00 70.33 68.71 1gg4 n THR 841 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1gg4 h ALA 842 N 0.00 0.82 -0.34 2.41 0.00 -1.36 -2.99 119.26 117.81 1gg4 h ALA 842 Ca 0.00 -0.63 -0.09 0.00 0.00 0.00 0.00 54.91 54.19 1gg4 h ALA 842 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1gg4 h ALA 842 CO 0.00 0.86 -0.17 0.00 0.00 0.00 0.00 179.25 179.94 1gg4 h ALA 843 N 1.27 1.08 -0.73 0.00 0.00 -1.27 -1.94 119.26 117.67 1gg4 h ALA 843 Ca -0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1gg4 h ALA 843 Cb 1.25 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1gg4 h ALA 843 CO 0.09 0.56 0.38 0.28 0.00 0.00 0.00 179.25 180.57 1gg4 h VAL 844 N 0.55 1.22 -0.12 0.00 2.07 -1.79 -0.63 116.25 117.56 1gg4 h VAL 844 Ca 0.09 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1gg4 h VAL 844 Cb 0.60 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1gg4 h VAL 844 CO 0.04 0.25 0.06 -0.61 0.02 0.00 0.00 177.57 177.33 1gg4 h GLN 845 N 1.02 0.17 -0.47 1.57 -0.00 -1.27 -1.11 115.11 115.02 1gg4 h GLN 845 Ca 0.26 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.89 1gg4 h GLN 845 Cb 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 27.48 27.47 1gg4 h GLN 845 CO -0.04 0.21 0.31 0.28 0.00 0.00 0.00 178.83 179.59 1gg4 h VAL 846 N 0.08 1.12 -0.33 2.39 2.07 -0.84 -2.91 116.25 117.84 1gg4 h VAL 846 Ca 0.04 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.35 1gg4 h VAL 846 Cb 0.10 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1gg4 h VAL 846 CO -0.01 0.12 0.16 0.25 0.02 0.00 0.00 177.57 178.11 1gg4 h LEU 847 N 0.63 0.22 -0.55 2.57 6.46 -0.93 -3.07 115.31 120.64 1gg4 h LEU 847 Ca 0.17 0.02 0.10 0.00 -0.12 0.00 0.00 57.88 58.05 1gg4 h LEU 847 Cb -0.06 -0.02 -0.11 0.00 -0.73 0.00 0.00 40.66 39.73 1gg4 h LEU 847 CO -0.04 0.17 -0.28 0.00 -0.62 0.00 0.00 178.44 177.67 1gg4 h ALA 848 N 1.18 0.06 0.00 1.25 0.00 -0.99 -3.44 119.26 117.31 1gg4 h ALA 848 Ca 0.14 0.17 -0.47 0.00 0.00 0.00 0.00 54.91 54.76 1gg4 h ALA 848 Cb 0.06 0.67 0.03 0.00 0.00 0.00 0.00 17.79 18.56 1gg4 h ALA 848 CO -0.11 -0.61 2.30 0.39 0.00 0.00 0.00 179.25 181.22 1gg4 n GLU 849 N -5.43 1.59 -4.50 0.00 1.02 -1.16 -5.04 120.64 107.11 1gg4 n GLU 849 Ca 0.04 -1.51 -0.31 0.00 -0.02 0.00 0.00 57.16 55.36 1gg4 n GLU 849 Cb 0.34 -2.60 -0.12 0.00 -0.02 0.00 0.00 31.44 29.04 1gg4 n GLU 849 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1gg4 s PRO 851 N 4.33 2.11 3.40 3.49 0.04 -1.26 -4.86 135.00 142.24 1gg4 s PRO 851 Ca 0.45 -0.98 0.00 0.00 0.04 0.00 0.00 61.00 60.51 1gg4 s PRO 851 Cb 0.11 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1gg4 s PRO 851 CO 0.05 0.53 0.00 0.41 0.04 0.00 0.00 177.00 178.03 1gg4 n GLY 852 N 1.29 0.17 3.65 0.56 0.00 -1.26 -4.22 105.19 105.38 1gg4 n GLY 852 Ca -0.15 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 1gg4 n GLY 852 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1gg4 s TYR 853 N 0.00 2.74 -0.24 1.61 5.04 0.73 -4.88 117.35 122.35 1gg4 s TYR 853 Ca 0.00 0.92 -0.09 0.00 -2.44 0.00 0.00 57.07 55.46 1gg4 s TYR 853 Cb 0.00 -3.67 -0.04 0.00 0.35 0.00 0.00 41.96 38.60 1gg4 s TYR 853 CO 0.00 -1.81 0.12 1.03 -1.34 0.00 0.00 175.55 173.55 1gg4 s ARG 854 N 3.79 3.87 -0.18 4.97 0.52 -1.26 -0.42 118.95 130.24 1gg4 s ARG 854 Ca 0.56 -0.37 0.01 0.00 -0.52 0.00 0.00 55.73 55.41 1gg4 s ARG 854 Cb -0.20 -3.43 0.02 0.00 0.52 0.00 0.00 34.95 31.86 1gg4 s ARG 854 CO 0.18 -0.05 -0.19 0.08 0.02 0.00 0.00 175.30 175.35 1gg4 s VAL 855 N 1.29 2.18 -0.56 3.52 1.01 -0.33 -1.38 120.40 126.13 1gg4 s VAL 855 Ca 0.06 -0.90 -0.18 0.00 0.00 0.00 0.00 61.98 60.96 1gg4 s VAL 855 Cb -0.15 -1.92 0.10 0.00 0.00 0.00 0.00 36.38 34.41 1gg4 s VAL 855 CO 0.05 0.53 0.64 -0.22 0.00 0.00 0.00 175.10 176.10 1gg4 s LEU 856 N 1.30 5.44 -0.19 3.92 2.96 -0.40 -1.25 118.68 130.45 1gg4 s LEU 856 Ca 0.05 -1.38 -0.19 0.00 -0.22 0.00 0.00 54.13 52.39 1gg4 s LEU 856 Cb -0.13 -2.31 -0.03 0.00 0.50 0.00 0.00 46.19 44.22 1gg4 s LEU 856 CO -0.12 -1.00 0.54 -0.69 -1.32 0.00 0.00 176.35 173.76 1gg4 s VAL 857 N 2.45 5.09 0.11 1.68 1.01 0.30 -2.62 120.40 128.42 1gg4 s VAL 857 Ca 0.10 1.01 0.03 0.00 0.00 0.00 0.00 61.98 63.12 1gg4 s VAL 857 Cb -0.24 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1gg4 s VAL 857 CO 0.07 0.17 -0.08 0.68 0.00 0.00 0.00 175.10 175.94 1gg4 s VAL 858 N 1.65 0.84 0.49 2.92 -7.23 -0.70 -1.24 120.40 117.13 1gg4 s VAL 858 Ca 0.25 -1.96 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 1gg4 s VAL 858 Cb -0.16 -1.71 -0.01 0.00 0.56 0.00 0.00 36.38 35.07 1gg4 s VAL 858 CO 0.10 -0.82 0.05 0.61 -0.31 0.00 0.00 175.10 174.72 1gg4 n GLY 859 N -0.06 3.44 0.00 2.32 0.00 -0.60 -1.83 105.19 108.46 1gg4 n GLY 859 Ca -0.12 -2.29 0.00 0.00 0.00 0.00 0.00 46.02 43.61 1gg4 n GLY 859 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gg4 n ASP 860 N -1.38 0.00 -1.15 1.61 8.00 -1.25 -4.64 116.55 117.75 1gg4 n ASP 860 Ca -0.17 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.30 1gg4 n ASP 860 Cb 0.65 0.00 0.20 0.00 -0.02 0.00 0.00 41.12 41.96 1gg4 n ASP 860 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gg4 n ALA 862 N -3.00 4.21 -0.62 2.24 0.00 -1.17 -1.86 120.51 120.30 1gg4 n ALA 862 Ca 0.00 -3.07 -0.27 0.00 0.00 0.00 0.00 53.44 50.10 1gg4 n ALA 862 Cb 0.00 -0.74 0.16 0.00 0.00 0.00 0.00 19.45 18.86 1gg4 n ALA 862 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gg4 n GLU 863 N -1.08 -1.87 -3.83 0.00 -0.58 -1.26 -5.07 120.64 106.96 1gg4 n GLU 863 Ca 0.32 -0.54 -0.12 0.00 -0.42 0.00 0.00 57.16 56.41 1gg4 n GLU 863 Cb 1.03 -1.56 -0.09 0.00 -0.57 0.00 0.00 31.44 30.25 1gg4 n GLU 863 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1gg4 s LEU 864 N -0.19 1.28 0.25 -4.62 1.02 -1.26 -5.03 118.68 110.12 1gg4 s LEU 864 Ca 0.47 -0.14 0.00 0.00 0.02 0.00 0.00 54.13 54.48 1gg4 s LEU 864 Cb -0.08 0.93 0.00 0.00 0.02 0.00 0.00 46.19 47.07 1gg4 s LEU 864 CO 0.52 -0.43 0.00 0.61 0.02 0.00 0.00 176.35 177.07 1gg4 n GLY 865 N 1.24 -1.74 0.30 -3.19 0.00 -1.26 -3.69 105.19 96.85 1gg4 n GLY 865 Ca -0.22 -1.25 0.16 0.00 0.00 0.00 0.00 46.02 44.71 1gg4 n GLY 865 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gg4 h ALA 866 N -1.01 1.18 0.00 4.61 0.00 -2.05 -1.09 119.26 120.90 1gg4 h ALA 866 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1gg4 h ALA 866 Cb 0.99 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1gg4 h ALA 866 CO 0.01 -0.18 -0.27 1.49 0.00 0.00 0.00 179.25 180.30 1gg4 h GLU 867 N 0.00 0.00 -0.77 0.00 4.57 -2.03 -3.31 114.58 113.04 1gg4 h GLU 867 Ca 0.00 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.33 1gg4 h GLU 867 Cb 0.38 0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 28.83 1gg4 h GLU 867 CO 0.00 0.27 -0.22 1.03 -1.18 0.00 0.00 179.01 178.91 1gg4 h SER 868 N 0.00 -0.81 -0.01 1.04 0.87 -1.27 -0.81 113.55 112.57 1gg4 h SER 868 Ca -0.00 0.24 0.02 0.00 -1.23 0.00 0.00 61.79 60.81 1gg4 h SER 868 Cb 0.75 0.51 -0.05 0.00 -0.44 0.00 0.00 62.40 63.17 1gg4 h SER 868 CO 0.03 -0.27 -0.47 -0.08 -0.53 0.00 0.00 176.83 175.52 1gg4 h GLU 869 N -0.02 -0.56 -0.50 2.24 4.57 -1.81 -2.08 114.58 116.43 1gg4 h GLU 869 Ca 0.36 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.64 1gg4 h GLU 869 Cb 0.57 0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 29.23 1gg4 h GLU 869 CO -0.80 -0.37 0.20 0.00 -1.18 0.00 0.00 179.01 176.86 1gg4 h ALA 870 N -0.57 0.62 -0.85 2.92 0.00 -1.55 -1.70 119.26 118.13 1gg4 h ALA 870 Ca 0.01 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.06 1gg4 h ALA 870 Cb 0.62 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.36 1gg4 h ALA 870 CO -0.32 -0.19 0.51 0.00 0.00 0.00 0.00 179.25 179.25 1gg4 h HIS 872 N 0.89 1.08 -0.20 0.00 -0.00 -0.76 -1.90 115.15 114.25 1gg4 h HIS 872 Ca 0.39 -0.25 0.01 0.00 -0.00 0.00 0.00 60.37 60.52 1gg4 h HIS 872 Cb 0.28 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 1gg4 h HIS 872 CO -0.04 1.05 0.12 0.28 -0.00 0.00 0.00 177.93 179.33 1gg4 h VAL 873 N 0.81 1.02 -0.06 2.45 2.07 -0.23 -1.59 116.25 120.72 1gg4 h VAL 873 Ca 0.12 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.59 1gg4 h VAL 873 Cb 0.72 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 1gg4 h VAL 873 CO 0.06 0.04 -0.26 1.56 0.02 0.00 0.00 177.57 178.99 1gg4 h GLN 874 N 0.24 -0.35 -0.99 1.57 4.20 0.24 0.61 115.11 120.63 1gg4 h GLN 874 Ca 0.08 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.90 1gg4 h GLN 874 Cb -0.00 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 27.78 1gg4 h GLN 874 CO -0.04 -0.23 0.63 0.28 -0.67 0.00 0.00 178.83 178.80 1gg4 h VAL 875 N -0.36 1.03 -0.08 -0.54 2.07 -1.13 0.18 116.25 117.42 1gg4 h VAL 875 Ca 0.08 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1gg4 h VAL 875 Cb 0.48 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1gg4 h VAL 875 CO -0.27 0.20 0.04 1.23 0.02 0.00 0.00 177.57 178.79 1gg4 h GLY 876 N 1.10 0.13 0.99 2.17 0.00 -0.24 -0.28 103.07 106.94 1gg4 h GLY 876 Ca 0.45 -0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.77 1gg4 h GLY 876 CO -0.20 0.06 0.54 0.83 0.00 0.00 0.00 176.54 177.77 1gg4 h GLU 877 N -0.00 0.93 -0.43 4.80 5.08 0.26 0.24 114.58 125.46 1gg4 h GLU 877 Ca 0.03 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 1gg4 h GLU 877 Cb 0.13 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1gg4 h GLU 877 CO -0.00 0.61 -0.12 0.00 -1.00 0.00 0.00 179.01 178.50 1gg4 h ALA 878 N 1.54 0.98 -0.19 3.43 0.00 -0.36 0.13 119.26 124.79 1gg4 h ALA 878 Ca 0.35 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1gg4 h ALA 878 Cb 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1gg4 h ALA 878 CO -0.12 0.60 -0.30 0.00 0.00 0.00 0.00 179.25 179.44 1gg4 h ALA 879 N 1.16 1.14 0.66 0.00 0.00 0.66 0.45 119.26 123.33 1gg4 h ALA 879 Ca 0.12 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1gg4 h ALA 879 Cb 0.60 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1gg4 h ALA 879 CO 0.04 0.55 -0.32 -0.22 0.00 0.00 0.00 179.25 179.30 1gg4 h LYS 880 N 0.32 -0.85 -0.35 0.00 1.63 -0.13 -1.65 116.57 115.54 1gg4 h LYS 880 Ca 0.04 0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.89 1gg4 h LYS 880 Cb 0.69 0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 32.50 1gg4 h LYS 880 CO 0.05 -0.54 0.18 0.00 -3.45 0.00 0.00 179.45 175.69 1gg4 h ALA 881 N -1.08 1.65 0.00 5.00 0.00 -0.67 0.12 119.26 124.28 1gg4 h ALA 881 Ca -0.09 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1gg4 h ALA 881 Cb 0.71 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1gg4 h ALA 881 CO 0.15 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.69 1gg4 n ALA 882 N -2.48 1.88 -3.24 0.00 0.00 0.16 -4.91 120.51 111.91 1gg4 n ALA 882 Ca 0.02 0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.31 1gg4 n ALA 882 Cb 0.11 -1.38 0.06 0.00 0.00 0.00 0.00 19.45 18.24 1gg4 n ALA 882 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gg4 n GLY 883 N 0.48 -0.18 3.74 0.00 0.00 0.41 -4.84 105.19 104.80 1gg4 n GLY 883 Ca 0.04 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1gg4 n GLY 883 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gg4 s ILE 884 N -3.25 2.76 -0.49 -0.61 -1.09 -0.69 -4.95 121.20 112.88 1gg4 s ILE 884 Ca 0.29 0.32 0.24 0.00 -2.23 0.00 0.00 60.65 59.26 1gg4 s ILE 884 Cb -0.13 -2.75 0.08 0.00 -1.58 0.00 0.00 42.46 38.08 1gg4 s ILE 884 CO 0.55 -0.26 1.29 0.44 -1.23 0.00 0.00 174.94 175.74 1gg4 h ASP 885 N -0.67 0.00 -4.43 3.58 3.32 -1.58 -3.48 116.42 113.16 1gg4 h ASP 885 Ca -0.46 -0.10 0.04 0.00 0.02 0.00 0.00 57.03 56.53 1gg4 h ASP 885 Cb 1.26 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.60 1gg4 h ASP 885 CO 0.50 0.05 0.43 -0.60 -1.72 0.00 0.00 179.24 177.90 1gg4 s ARG 886 N -3.23 0.76 -0.35 3.56 3.52 -0.66 -4.69 118.95 117.86 1gg4 s ARG 886 Ca 0.04 0.12 0.01 0.00 -0.13 0.00 0.00 55.73 55.77 1gg4 s ARG 886 Cb 0.11 0.36 0.14 0.00 -1.56 0.00 0.00 34.95 34.00 1gg4 s ARG 886 CO 0.73 -0.25 0.24 0.08 -0.81 0.00 0.00 175.30 175.29 1gg4 s VAL 887 N -1.37 0.03 0.06 7.11 1.01 -1.26 -1.28 120.40 124.70 1gg4 s VAL 887 Ca -0.04 -1.52 -0.29 0.00 0.00 0.00 0.00 61.98 60.14 1gg4 s VAL 887 Cb -0.00 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 1gg4 s VAL 887 CO 0.03 -0.90 0.91 -0.76 0.00 0.00 0.00 175.10 174.38 1gg4 s LEU 888 N 1.19 4.45 0.11 3.92 1.43 -1.08 -2.41 118.68 126.29 1gg4 s LEU 888 Ca 0.17 1.66 0.02 0.00 -1.03 0.00 0.00 54.13 54.95 1gg4 s LEU 888 Cb -0.21 -3.48 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 1gg4 s LEU 888 CO -0.01 -0.10 -0.05 -0.94 0.23 0.00 0.00 176.35 175.48 1gg4 s SER 889 N 0.26 1.14 -0.11 2.29 1.04 -0.57 -1.73 113.70 116.01 1gg4 s SER 889 Ca 0.46 -1.04 -0.06 0.00 0.48 0.00 0.00 55.95 55.79 1gg4 s SER 889 Cb -0.22 0.10 0.05 0.00 0.10 0.00 0.00 66.02 66.05 1gg4 s SER 889 CO 0.27 -0.49 0.26 -0.69 0.98 0.00 0.00 173.24 173.58 1gg4 s VAL 890 N -3.64 -0.05 0.00 5.02 1.01 -0.76 -0.62 120.40 121.37 1gg4 s VAL 890 Ca 0.14 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1gg4 s VAL 890 Cb 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 36.03 1gg4 s VAL 890 CO -0.03 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1gg4 n GLY 891 N 4.26 1.64 0.87 4.51 0.00 -1.24 -3.76 105.19 111.47 1gg4 n GLY 891 Ca -0.25 -1.93 0.11 0.00 0.00 0.00 0.00 46.02 43.95 1gg4 n GLY 891 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gg4 n LYS 892 N -1.87 2.14 0.00 1.61 5.02 -1.26 -4.38 118.16 119.42 1gg4 n LYS 892 Ca 0.00 -1.72 0.00 0.00 -2.02 0.00 0.00 58.31 54.57 1gg4 n LYS 892 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 1gg4 n LYS 892 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1gg4 n GLN 893 N 0.94 0.00 0.00 1.97 1.13 -1.26 -4.77 117.38 115.39 1gg4 n GLN 893 Ca 0.18 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 1gg4 n GLN 893 Cb 0.47 -0.71 0.00 0.00 0.11 0.00 0.00 30.24 30.11 1gg4 n GLN 893 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1gg4 n SER 894 N -2.17 0.00 0.17 1.08 3.41 -1.26 -1.84 113.62 113.01 1gg4 n SER 894 Ca 0.00 0.33 0.04 0.00 -0.26 0.00 0.00 58.87 58.97 1gg4 n SER 894 Cb 0.28 -0.33 0.45 0.00 -0.26 0.00 0.00 64.21 64.35 1gg4 n SER 894 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1gg4 h HIS 895 N 0.00 0.12 0.00 7.33 2.07 -1.86 -2.31 115.15 120.50 1gg4 h HIS 895 Ca 0.00 -0.01 -0.04 0.00 -2.85 0.00 0.00 60.37 57.47 1gg4 h HIS 895 Cb 0.01 -0.03 -0.01 0.00 2.57 0.00 0.00 27.41 29.95 1gg4 h HIS 895 CO 0.00 0.27 -0.20 0.00 -3.07 0.00 0.00 177.93 174.93 1gg4 h ALA 896 N 1.73 1.16 0.01 6.11 0.00 -1.71 -0.61 119.26 125.94 1gg4 h ALA 896 Ca 0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1gg4 h ALA 896 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1gg4 h ALA 896 CO 0.02 0.25 -0.00 0.82 0.00 0.00 0.00 179.25 180.34 1gg4 h ILE 897 N 0.00 1.60 -0.87 0.00 2.04 -1.53 -0.40 117.51 118.35 1gg4 h ILE 897 Ca -0.00 -1.87 -0.01 0.00 1.00 0.00 0.00 64.86 63.98 1gg4 h ILE 897 Cb 0.56 2.86 -0.04 0.00 -0.74 0.00 0.00 36.82 39.46 1gg4 h ILE 897 CO 0.03 0.48 0.50 0.77 0.00 0.00 0.00 178.15 179.93 1gg4 h SER 898 N -0.82 1.06 0.30 1.72 4.64 -1.44 -1.10 113.55 117.92 1gg4 h SER 898 Ca -0.00 -0.08 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1gg4 h SER 898 Cb 0.79 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1gg4 h SER 898 CO 0.00 0.83 -0.15 0.74 -0.87 0.00 0.00 176.83 177.39 1gg4 h THR 899 N 1.21 0.00 -0.42 2.95 2.02 -1.16 -3.23 112.91 114.27 1gg4 h THR 899 Ca 0.31 -0.09 0.12 0.00 0.77 0.00 0.00 66.41 67.52 1gg4 h THR 899 Cb -0.01 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.38 1gg4 h THR 899 CO -0.05 0.00 0.47 0.00 0.37 0.00 0.00 175.52 176.31 1gg4 h ALA 900 N -1.72 2.13 0.00 6.16 0.00 -0.99 0.16 119.26 125.00 1gg4 h ALA 900 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1gg4 h ALA 900 Cb 0.31 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1gg4 h ALA 900 CO 0.07 -0.69 0.00 0.66 0.00 0.00 0.00 179.25 179.29 1gg4 h SER 901 N 0.00 0.00 -0.13 0.00 4.64 -1.21 -3.34 113.55 113.50 1gg4 h SER 901 Ca 0.20 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.46 1gg4 h SER 901 Cb 1.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 1gg4 h SER 901 CO -0.00 0.00 -0.05 0.61 -0.87 0.00 0.00 176.83 176.52 1gg4 n GLY 902 N 0.32 0.51 1.12 -0.77 0.00 0.57 -4.28 105.19 102.65 1gg4 n GLY 902 Ca 0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 1gg4 n GLY 902 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1gg4 n VAL 903 N -2.57 0.00 -1.39 1.61 3.14 -1.25 -5.12 118.33 112.76 1gg4 n VAL 903 Ca -0.03 -0.67 0.17 0.00 -2.96 0.00 0.00 64.34 60.86 1gg4 n VAL 903 Cb 0.27 0.38 -0.07 0.00 -1.06 0.00 0.00 33.84 33.36 1gg4 n VAL 903 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1gg4 n GLY 904 N -0.20 -2.51 3.11 7.55 0.00 -1.26 -4.54 105.19 107.33 1gg4 n GLY 904 Ca 0.01 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 1gg4 n GLY 904 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1gg4 s GLU 905 N -3.42 0.65 0.14 1.61 -1.05 -1.01 -4.82 118.70 110.81 1gg4 s GLU 905 Ca 0.00 -0.97 0.01 0.00 -0.15 0.00 0.00 54.97 53.85 1gg4 s GLU 905 Cb 0.00 -0.30 -0.04 0.00 -0.44 0.00 0.00 34.13 33.36 1gg4 s GLU 905 CO 0.00 0.03 0.30 -1.58 0.95 0.00 0.00 175.26 174.97 1gg4 s HIS 906 N -2.16 3.49 0.09 4.83 2.46 -1.26 -1.51 115.29 121.23 1gg4 s HIS 906 Ca -0.02 0.23 0.04 0.00 0.47 0.00 0.00 55.06 55.78 1gg4 s HIS 906 Cb -0.05 -1.75 -0.03 0.00 -0.13 0.00 0.00 32.58 30.62 1gg4 s HIS 906 CO -0.01 0.49 -0.11 -0.06 -2.47 0.00 0.00 174.74 172.58 1gg4 s PHE 907 N -1.73 1.07 -0.18 3.88 0.40 0.21 -4.90 117.98 116.73 1gg4 s PHE 907 Ca 0.36 -0.60 0.17 0.00 -0.60 0.00 0.00 56.93 56.27 1gg4 s PHE 907 Cb -0.11 -0.59 0.00 0.00 0.51 0.00 0.00 43.02 42.83 1gg4 s PHE 907 CO 0.28 0.01 1.17 0.00 0.70 0.00 0.00 175.22 177.38 1gg4 h ALA 908 N 3.79 0.67 -2.63 5.36 0.00 -1.93 -3.30 119.26 121.22 1gg4 h ALA 908 Ca -0.38 -0.50 -0.16 0.00 0.00 0.00 0.00 54.91 53.87 1gg4 h ALA 908 Cb 1.19 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.92 1gg4 h ALA 908 CO 0.49 0.60 -0.45 0.16 0.00 0.00 0.00 179.25 180.05 1gg4 s ASP 909 N -6.03 0.10 0.23 0.00 3.84 -1.26 -4.75 116.67 108.81 1gg4 s ASP 909 Ca 0.01 -1.15 0.05 0.00 -0.00 0.00 0.00 52.55 51.46 1gg4 s ASP 909 Cb 0.08 0.42 0.24 0.00 -1.38 0.00 0.00 42.92 42.28 1gg4 s ASP 909 CO 0.77 -0.90 1.55 0.11 -0.00 0.00 0.00 175.17 176.70 1gg4 h LYS 910 N 2.57 0.21 -0.46 2.11 1.57 -1.98 -3.12 116.57 117.47 1gg4 h LYS 910 Ca -0.33 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.25 1gg4 h LYS 910 Cb 1.24 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 1gg4 h LYS 910 CO 0.49 0.77 0.08 1.15 -0.57 0.00 0.00 179.45 181.37 1gg4 h THR 911 N 0.15 1.21 -0.26 -0.16 2.02 -1.99 0.22 112.91 114.11 1gg4 h THR 911 Ca -0.01 -0.80 -0.16 0.00 0.77 0.00 0.00 66.41 66.21 1gg4 h THR 911 Cb 1.14 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1gg4 h THR 911 CO 0.10 0.29 -0.48 0.00 0.37 0.00 0.00 175.52 175.79 1gg4 h ALA 912 N 1.41 0.66 -0.20 6.16 0.00 -1.99 -2.13 119.26 123.16 1gg4 h ALA 912 Ca 0.15 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1gg4 h ALA 912 Cb 0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1gg4 h ALA 912 CO 0.00 0.68 0.01 1.25 0.00 0.00 0.00 179.25 181.19 1gg4 h LEU 913 N 0.56 0.33 -1.75 0.00 6.46 -1.24 -2.53 115.31 117.15 1gg4 h LEU 913 Ca 0.03 -0.29 -0.03 0.00 -0.12 0.00 0.00 57.88 57.46 1gg4 h LEU 913 Cb 1.04 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.88 1gg4 h LEU 913 CO 0.10 0.54 -0.16 0.40 -0.62 0.00 0.00 178.44 178.71 1gg4 h ILE 914 N 0.11 0.97 0.31 4.05 2.04 -0.47 0.24 117.51 124.76 1gg4 h ILE 914 Ca 0.06 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 1gg4 h ILE 914 Cb 0.37 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1gg4 h ILE 914 CO 0.01 0.15 -0.15 0.74 0.00 0.00 0.00 178.15 178.90 1gg4 h THR 915 N 0.00 0.66 -0.14 -0.27 2.02 -1.19 -0.87 112.91 113.13 1gg4 h THR 915 Ca -0.00 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1gg4 h THR 915 Cb 0.30 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1gg4 h THR 915 CO 0.02 0.12 0.08 -0.09 0.37 0.00 0.00 175.52 176.02 1gg4 h ARG 916 N -0.80 0.17 -0.97 6.66 1.12 -1.11 -1.53 114.38 117.91 1gg4 h ARG 916 Ca -0.04 -0.01 0.11 0.00 -1.11 0.00 0.00 59.98 58.93 1gg4 h ARG 916 Cb 0.51 -0.04 -0.08 0.00 -0.01 0.00 0.00 29.97 30.36 1gg4 h ARG 916 CO 0.07 0.11 0.62 1.25 -3.11 0.00 0.00 179.97 178.91 1gg4 h LEU 917 N 0.17 0.89 -1.09 3.80 6.46 -0.58 0.26 115.31 125.23 1gg4 h LEU 917 Ca 0.05 0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.78 1gg4 h LEU 917 Cb -0.01 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.76 1gg4 h LEU 917 CO -0.02 0.49 -0.10 0.11 -0.62 0.00 0.00 178.44 178.31 1gg4 h LYS 918 N 0.97 0.52 0.26 1.25 1.57 -0.25 -1.64 116.57 119.25 1gg4 h LYS 918 Ca 0.47 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 1gg4 h LYS 918 Cb 0.46 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1gg4 h LYS 918 CO -0.23 0.62 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.08 1gg4 h LEU 919 N 0.49 -0.29 -1.18 2.94 3.38 0.35 -2.17 115.31 118.83 1gg4 h LEU 919 Ca 0.09 -0.14 0.25 0.00 0.09 0.00 0.00 57.88 58.17 1gg4 h LEU 919 Cb 0.47 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 41.19 1gg4 h LEU 919 CO 0.03 -0.03 0.63 -0.07 0.09 0.00 0.00 178.44 179.09 1gg4 h LEU 920 N -0.57 0.58 -0.62 1.67 3.38 -0.66 0.37 115.31 119.47 1gg4 h LEU 920 Ca -0.04 0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1gg4 h LEU 920 Cb 0.41 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1gg4 h LEU 920 CO 0.06 0.12 -0.16 0.40 0.09 0.00 0.00 178.44 178.95 1gg4 h ILE 921 N 0.52 1.27 -0.03 1.22 2.04 -1.00 0.45 117.51 121.97 1gg4 h ILE 921 Ca 0.61 -1.30 -0.17 0.00 1.00 0.00 0.00 64.86 65.01 1gg4 h ILE 921 Cb 1.30 1.07 0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1gg4 h ILE 921 CO -0.37 0.45 -0.62 0.00 0.00 0.00 0.00 178.15 177.60 1gg4 h ALA 922 N 1.00 0.12 -0.21 1.87 0.00 0.09 -3.31 119.26 118.82 1gg4 h ALA 922 Ca 0.12 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1gg4 h ALA 922 Cb 0.71 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1gg4 h ALA 922 CO 0.05 0.40 0.11 1.49 0.00 0.00 0.00 179.25 181.30 1gg4 h GLU 923 N 0.03 0.30 -4.79 0.00 4.81 -0.44 -3.40 114.58 111.09 1gg4 h GLU 923 Ca -0.07 -0.04 -0.70 0.00 -0.13 0.00 0.00 59.36 58.43 1gg4 h GLU 923 Cb 1.31 -0.06 -0.19 0.00 0.63 0.00 0.00 28.75 30.44 1gg4 h GLU 923 CO 0.12 0.29 -0.27 -0.65 -0.73 0.00 0.00 179.01 177.78 1gg4 s GLN 924 N -5.80 3.12 0.08 1.92 -1.52 0.14 -4.93 119.66 112.68 1gg4 s GLN 924 Ca -0.13 -0.78 0.18 0.00 -1.95 0.00 0.00 55.36 52.68 1gg4 s GLN 924 Cb 0.08 -3.95 0.77 0.00 -0.22 0.00 0.00 33.01 29.68 1gg4 s GLN 924 CO 0.70 -0.79 1.57 0.00 -0.25 0.00 0.00 175.29 176.52 1gg4 n GLN 925 N 5.47 0.06 -3.60 2.91 10.64 -1.26 -4.13 117.38 127.47 1gg4 n GLN 925 Ca -0.08 0.29 -0.29 0.00 -1.83 0.00 0.00 57.00 55.08 1gg4 n GLN 925 Cb 0.47 -1.62 -0.14 0.00 -0.86 0.00 0.00 30.24 28.10 1gg4 n GLN 925 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1gg4 s VAL 926 N -3.10 0.53 0.14 -0.39 1.01 -1.26 -4.65 120.40 112.68 1gg4 s VAL 926 Ca 0.07 -1.57 0.07 0.00 0.00 0.00 0.00 61.98 60.55 1gg4 s VAL 926 Cb 0.10 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1gg4 s VAL 926 CO 0.33 -0.83 -0.17 0.27 0.00 0.00 0.00 175.10 174.70 1gg4 s ILE 927 N 1.32 1.58 -0.24 2.22 -5.25 -0.99 -0.19 121.20 119.65 1gg4 s ILE 927 Ca 0.14 -1.76 -0.04 0.00 -0.99 0.00 0.00 60.65 57.99 1gg4 s ILE 927 Cb -0.20 -1.65 0.08 0.00 2.95 0.00 0.00 42.46 43.64 1gg4 s ILE 927 CO -0.15 -0.32 0.10 -0.89 -1.79 0.00 0.00 174.94 171.89 1gg4 s THR 928 N -1.94 0.14 -0.20 8.37 2.01 0.44 -2.09 115.64 122.36 1gg4 s THR 928 Ca 0.11 -0.63 -0.10 0.00 0.31 0.00 0.00 61.69 61.38 1gg4 s THR 928 Cb -0.06 -0.95 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 1gg4 s THR 928 CO 0.05 -0.51 0.14 -0.63 -0.69 0.00 0.00 174.62 172.98 1gg4 s ILE 929 N 2.01 5.40 -0.23 1.82 1.01 -0.14 -1.18 121.20 129.89 1gg4 s ILE 929 Ca 0.05 0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.93 1gg4 s ILE 929 Cb -0.16 -3.48 0.05 0.00 0.01 0.00 0.00 42.46 38.87 1gg4 s ILE 929 CO -0.23 0.42 -0.14 -0.22 0.00 0.00 0.00 174.94 174.78 1gg4 s LEU 930 N 0.47 2.92 -0.19 2.97 0.20 -0.38 0.11 118.68 124.77 1gg4 s LEU 930 Ca 0.08 -1.11 -0.12 0.00 0.69 0.00 0.00 54.13 53.68 1gg4 s LEU 930 Cb -0.11 -1.50 -0.05 0.00 -0.43 0.00 0.00 46.19 44.10 1gg4 s LEU 930 CO -0.01 -0.12 0.19 -0.69 -0.29 0.00 0.00 176.35 175.43 1gg4 s VAL 931 N 1.19 5.37 -0.10 1.68 1.01 -0.92 -0.54 120.40 128.08 1gg4 s VAL 931 Ca -0.04 0.33 -0.19 0.00 0.00 0.00 0.00 61.98 62.09 1gg4 s VAL 931 Cb -0.17 -3.53 0.04 0.00 0.00 0.00 0.00 36.38 32.71 1gg4 s VAL 931 CO -0.08 0.42 0.46 -0.75 0.00 0.00 0.00 175.10 175.15 1gg4 s LYS 932 N 0.42 0.69 -0.26 2.72 2.20 -0.37 -1.57 119.74 123.57 1gg4 s LYS 932 Ca 0.11 0.30 -0.35 0.00 -0.36 0.00 0.00 55.97 55.67 1gg4 s LYS 932 Cb -0.12 0.32 0.16 0.00 -1.51 0.00 0.00 37.83 36.69 1gg4 s LYS 932 CO 0.00 -0.15 1.33 0.20 -0.36 0.00 0.00 175.35 176.36 1gg4 s GLY 933 N -0.55 -0.15 1.22 5.54 0.00 -1.26 -1.56 107.32 110.56 1gg4 s GLY 933 Ca -0.07 2.09 -0.15 0.00 0.00 0.00 0.00 44.72 46.59 1gg4 s GLY 933 CO 0.04 0.75 1.01 -1.35 0.00 0.00 0.00 173.10 173.54 1gg4 s SER 934 N -1.77 0.50 0.16 1.64 1.04 -0.78 -3.59 113.70 110.90 1gg4 s SER 934 Ca 0.10 1.36 -0.16 0.00 0.48 0.00 0.00 55.95 57.73 1gg4 s SER 934 Cb -0.01 -2.09 0.07 0.00 0.10 0.00 0.00 66.02 64.09 1gg4 s SER 934 CO -0.04 -4.47 1.72 0.03 0.98 0.00 0.00 173.24 171.45 1gg4 h ARG 935 N -2.81 0.15 0.00 4.02 2.47 -1.84 -1.61 114.38 114.77 1gg4 h ARG 935 Ca -0.60 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.10 1gg4 h ARG 935 Cb 1.34 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.62 1gg4 h ARG 935 CO 0.47 0.10 -0.08 0.66 0.56 0.00 0.00 179.97 181.68 1gg4 h SER 936 N 0.16 0.00 0.99 7.04 4.64 -1.91 -1.80 113.55 122.67 1gg4 h SER 936 Ca 0.17 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1gg4 h SER 936 Cb 0.21 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1gg4 h SER 936 CO -0.24 0.08 -0.01 0.00 -0.87 0.00 0.00 176.83 175.79 1gg4 h ALA 937 N 1.92 1.00 -3.27 5.18 0.00 -1.55 -3.51 119.26 119.03 1gg4 h ALA 937 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1gg4 h ALA 937 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1gg4 h ALA 937 CO 0.01 0.01 -0.20 0.00 0.00 0.00 0.00 179.25 179.07 1gg4 n ALA 938 N -2.10 -1.20 0.00 0.00 0.00 -0.68 -4.95 120.51 111.59 1gg4 n ALA 938 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1gg4 n ALA 938 Cb 0.30 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1gg4 n ALA 938 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1gg4 n GLU 940 N 1.02 0.00 -0.15 0.00 0.00 -1.26 -4.56 120.64 115.68 1gg4 n GLU 940 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 57.16 57.09 1gg4 n GLU 940 Cb 0.00 -2.94 0.10 0.00 0.00 0.00 0.00 31.44 28.60 1gg4 n GLU 940 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1gg4 h GLU 941 N 0.00 0.91 -0.35 3.44 5.08 -1.98 0.33 114.58 122.00 1gg4 h GLU 941 Ca 0.00 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1gg4 h GLU 941 Cb 0.00 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1gg4 h GLU 941 CO 0.00 0.92 0.18 0.28 -1.00 0.00 0.00 179.01 179.39 1gg4 h VAL 942 N 0.83 1.15 -0.04 3.13 2.07 -1.96 -0.40 116.25 121.03 1gg4 h VAL 942 Ca 0.15 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1gg4 h VAL 942 Cb 0.53 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1gg4 h VAL 942 CO 0.03 0.16 0.02 0.58 0.02 0.00 0.00 177.57 178.38 1gg4 h VAL 943 N 0.44 1.06 0.13 2.57 2.07 -1.86 -0.46 116.25 120.19 1gg4 h VAL 943 Ca 0.12 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1gg4 h VAL 943 Cb 0.09 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 1gg4 h VAL 943 CO -0.02 0.05 -0.17 0.03 0.02 0.00 0.00 177.57 177.48 1gg4 h ARG 944 N -0.01 -0.34 -0.57 1.57 2.47 -0.18 -2.31 114.38 115.00 1gg4 h ARG 944 Ca 0.01 0.02 0.11 0.00 -1.26 0.00 0.00 59.98 58.87 1gg4 h ARG 944 Cb 0.06 0.08 -0.09 0.00 -1.65 0.00 0.00 29.97 28.37 1gg4 h ARG 944 CO -0.00 -0.23 0.09 0.00 0.56 0.00 0.00 179.97 180.39 1gg4 h ALA 945 N 0.46 0.64 -0.03 0.04 0.00 -0.95 -0.32 119.26 119.10 1gg4 h ALA 945 Ca 0.01 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1gg4 h ALA 945 Cb 0.35 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1gg4 h ALA 945 CO -0.07 -0.33 0.14 -0.07 0.00 0.00 0.00 179.25 178.91 1gg4 h LEU 946 N 0.21 0.00 -1.33 0.00 3.38 -0.51 -3.51 115.31 113.55 1gg4 h LEU 946 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1gg4 h LEU 946 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1gg4 h LEU 946 CO -0.41 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.12