#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ibp h VAL 573 N 0.00 0.75 -0.48 -3.33 2.07 -2.05 -2.99 116.25 110.21 3ibp h VAL 573 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 3ibp h VAL 573 Cb 0.00 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3ibp h VAL 573 CO 0.00 0.00 -0.00 0.77 0.02 0.00 0.00 177.57 178.36 3ibp h SER 574 N 0.00 0.83 -0.11 0.57 4.64 -2.04 -1.35 113.55 116.09 3ibp h SER 574 Ca 0.19 -0.31 -0.13 0.00 -0.47 0.00 0.00 61.79 61.08 3ibp h SER 574 Cb 0.80 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 3ibp h SER 574 CO -0.00 0.94 -0.37 -1.13 -0.87 0.00 0.00 176.83 175.40 3ibp h ASN 575 N 0.70 0.65 0.43 4.97 -1.24 -1.96 -2.02 115.58 117.11 3ibp h ASN 575 Ca 0.14 -0.28 -0.22 0.00 0.71 0.00 0.00 56.30 56.65 3ibp h ASN 575 Cb 0.51 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.38 3ibp h ASN 575 CO 0.02 0.96 -0.93 0.00 -1.29 0.00 0.00 177.43 176.19 3ibp h ALA 576 N 1.07 0.40 0.05 1.57 0.00 -1.60 -1.87 119.26 118.89 3ibp h ALA 576 Ca 0.05 -0.72 -0.10 0.00 0.00 0.00 0.00 54.91 54.14 3ibp h ALA 576 Cb 0.87 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.64 3ibp h ALA 576 CO 0.08 0.85 -0.44 0.07 0.00 0.00 0.00 179.25 179.81 3ibp h ARG 577 N 0.19 0.20 -0.38 0.00 0.11 -1.29 -3.18 114.38 110.03 3ibp h ARG 577 Ca -0.07 -0.29 -0.07 0.00 0.10 0.00 0.00 59.98 59.66 3ibp h ARG 577 Cb 1.57 0.10 -0.02 0.00 1.11 0.00 0.00 29.97 32.73 3ibp h ARG 577 CO 0.16 1.08 -0.04 1.49 0.10 0.00 0.00 179.97 182.76 3ibp h GLU 578 N -0.54 0.62 -0.56 0.08 4.81 -1.46 -2.32 114.58 115.21 3ibp h GLU 578 Ca -0.07 -0.16 0.04 0.00 -0.13 0.00 0.00 59.36 59.04 3ibp h GLU 578 Cb 1.28 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.54 3ibp h GLU 578 CO 0.08 0.67 0.32 1.49 -0.73 0.00 0.00 179.01 180.84 3ibp h GLU 579 N 0.58 0.60 -1.85 1.92 4.81 -1.45 -2.86 114.58 116.32 3ibp h GLU 579 Ca 0.12 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3ibp h GLU 579 Cb 0.43 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3ibp h GLU 579 CO 0.02 0.39 0.00 -2.13 -0.73 0.00 0.00 179.01 176.56 3ibp n ARG 580 N -4.81 0.04 0.00 1.92 0.63 -0.88 -3.20 116.66 110.36 3ibp n ARG 580 Ca 0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 3ibp n ARG 580 Cb 0.12 -1.45 0.00 0.00 0.45 0.00 0.00 32.46 31.57 3ibp n ARG 580 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3ibp n ALA 582 N 0.95 0.00 0.04 5.13 0.00 -1.08 -2.86 120.51 122.69 3ibp n ALA 582 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 3ibp n ALA 582 Cb 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.38 3ibp n ALA 582 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3ibp h LEU 583 N 0.00 0.86 -0.02 0.00 4.07 -1.86 -2.07 115.31 116.29 3ibp h LEU 583 Ca 0.00 -0.68 -0.01 0.00 0.08 0.00 0.00 57.88 57.28 3ibp h LEU 583 Cb 0.00 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 41.48 3ibp h LEU 583 CO 0.00 1.48 -0.01 0.03 -1.08 0.00 0.00 178.44 178.86 3ibp h ARG 584 N 0.38 0.04 -0.97 1.13 3.08 -1.86 -1.28 114.38 114.90 3ibp h ARG 584 Ca -0.12 -0.02 0.18 0.00 0.07 0.00 0.00 59.98 60.09 3ibp h ARG 584 Cb 1.66 -0.00 -0.17 0.00 0.08 0.00 0.00 29.97 31.53 3ibp h ARG 584 CO 0.20 0.48 -0.29 0.94 -1.07 0.00 0.00 179.97 180.22 3ibp n GLN 585 N -4.84 -0.14 -0.09 0.04 -0.06 -1.24 0.39 117.38 111.45 3ibp n GLN 585 Ca -0.08 1.51 -0.12 0.00 -2.00 0.00 0.00 57.00 56.32 3ibp n GLN 585 Cb 0.24 -2.25 -0.04 0.00 -4.06 0.00 0.00 30.24 24.13 3ibp n GLN 585 CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 3ibp h GLU 586 N 0.00 0.50 0.00 3.69 4.81 -1.36 -2.77 114.58 119.45 3ibp h GLU 586 Ca 0.42 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 3ibp h GLU 586 Cb 0.66 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 3ibp h GLU 586 CO -0.99 0.70 -0.05 0.37 -0.73 0.00 0.00 179.01 178.31 3ibp h GLN 587 N 0.25 0.00 0.00 1.92 4.15 0.65 0.35 115.11 122.44 3ibp h GLN 587 Ca 0.07 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.37 3ibp h GLN 587 Cb 0.51 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.18 3ibp h GLN 587 CO 0.02 0.05 -0.70 0.93 -1.93 0.00 0.00 178.83 177.21 3ibp h GLU 588 N 0.00 0.00 -0.01 1.69 5.08 0.04 -2.09 114.58 119.29 3ibp h GLU 588 Ca -0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3ibp h GLU 588 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3ibp h GLU 588 CO 0.01 0.49 -0.25 0.37 -1.00 0.00 0.00 179.01 178.62 3ibp h GLN 589 N 0.00 0.19 -0.41 2.33 5.75 -0.46 -2.76 115.11 119.75 3ibp h GLN 589 Ca -0.03 -0.19 -0.02 0.00 -0.15 0.00 0.00 58.65 58.25 3ibp h GLN 589 Cb 1.44 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 30.02 3ibp h GLN 589 CO 0.07 0.91 0.15 -0.07 -2.65 0.00 0.00 178.83 177.24 3ibp h LEU 590 N -0.46 0.53 0.05 -2.39 4.07 -0.51 0.18 115.31 116.78 3ibp h LEU 590 Ca -0.03 -0.06 -0.00 0.00 0.08 0.00 0.00 57.88 57.87 3ibp h LEU 590 Cb 0.99 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.60 3ibp h LEU 590 CO 0.05 0.50 -0.03 -0.61 -1.08 0.00 0.00 178.44 177.27 3ibp h GLN 591 N 0.58 -0.07 0.00 1.13 5.75 -1.45 -1.31 115.11 119.74 3ibp h GLN 591 Ca 0.14 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.48 3ibp h GLN 591 Cb 0.14 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 3ibp h GLN 591 CO -0.01 0.31 -0.77 0.66 -2.65 0.00 0.00 178.83 176.37 3ibp h SER 592 N -0.46 0.00 -0.61 -0.69 4.64 -1.41 -2.29 113.55 112.73 3ibp h SER 592 Ca -0.01 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 3ibp h SER 592 Cb 0.41 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 3ibp h SER 592 CO 0.01 0.77 0.09 -0.09 -0.87 0.00 0.00 176.83 176.74 3ibp h ARG 593 N 0.00 1.01 -0.42 4.77 9.65 -0.63 -2.84 114.38 125.92 3ibp h ARG 593 Ca -0.01 -0.27 -0.11 0.00 -1.10 0.00 0.00 59.98 58.49 3ibp h ARG 593 Cb 1.39 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.84 3ibp h ARG 593 CO 0.10 0.95 -0.16 0.82 2.80 0.00 0.00 179.97 184.48 3ibp h ILE 594 N 0.92 1.28 -0.73 1.20 2.04 -1.14 -3.08 117.51 118.00 3ibp h ILE 594 Ca 0.18 -1.29 0.11 0.00 1.00 0.00 0.00 64.86 64.86 3ibp h ILE 594 Cb 0.43 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.70 3ibp h ILE 594 CO 0.01 0.44 0.48 -0.61 0.00 0.00 0.00 178.15 178.47 3ibp h GLN 595 N 0.66 0.54 -0.33 2.37 5.75 -1.18 -1.20 115.11 121.72 3ibp h GLN 595 Ca 0.10 -0.03 -0.15 0.00 -0.15 0.00 0.00 58.65 58.42 3ibp h GLN 595 Cb 0.71 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.14 3ibp h GLN 595 CO 0.05 0.36 -0.37 0.66 -2.65 0.00 0.00 178.83 176.88 3ibp h SER 596 N 0.56 0.90 0.00 -0.69 4.64 -1.42 -2.98 113.55 114.55 3ibp h SER 596 Ca 0.34 -0.48 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3ibp h SER 596 Cb 0.58 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3ibp h SER 596 CO -0.12 1.20 0.00 0.18 -0.87 0.00 0.00 176.83 177.22 3ibp n LEU 597 N -4.13 0.00 0.00 5.97 4.77 -0.46 -1.43 117.00 121.73 3ibp n LEU 597 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3ibp n LEU 597 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3ibp n LEU 597 CO 0.47 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.53 3ibp n GLN 599 N 1.41 0.00 -0.16 3.23 1.13 -1.13 -1.60 117.38 120.26 3ibp n GLN 599 Ca 0.00 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 54.99 3ibp n GLN 599 Cb 0.00 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.37 3ibp n GLN 599 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 3ibp h ARG 600 N 0.00 0.61 0.01 -1.09 9.65 -1.54 -3.33 114.38 118.69 3ibp h ARG 600 Ca 0.00 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 58.86 3ibp h ARG 600 Cb 0.00 -0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 28.40 3ibp h ARG 600 CO 0.00 0.41 -0.45 0.00 2.80 0.00 0.00 179.97 182.72 3ibp h ALA 601 N 1.20 -0.89 -0.86 2.80 0.00 -1.58 -0.99 119.26 118.94 3ibp h ALA 601 Ca 0.19 -0.08 0.19 0.00 0.00 0.00 0.00 54.91 55.21 3ibp h ALA 601 Cb -0.04 0.88 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 3ibp h ALA 601 CO -0.06 -1.02 0.57 -1.35 0.00 0.00 0.00 179.25 177.39 3ibp h PRO 602 N -0.57 0.37 0.01 0.00 0.11 -1.89 0.13 132.00 130.15 3ibp h PRO 602 Ca 0.01 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.90 3ibp h PRO 602 Cb 0.61 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 3ibp h PRO 602 CO -0.30 0.24 -0.90 0.28 -0.21 0.00 0.00 178.00 177.12 3ibp h VAL 603 N 0.38 1.52 0.00 3.15 2.07 -1.55 -2.66 116.25 119.17 3ibp h VAL 603 Ca 0.44 -2.73 0.00 0.00 0.82 0.00 0.00 66.70 65.23 3ibp h VAL 603 Cb 1.11 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 3ibp h VAL 603 CO -0.15 0.79 0.00 -0.25 0.02 0.00 0.00 177.57 177.98 3ibp h TRP 604 N 0.08 0.00 0.27 1.57 7.01 0.40 -1.56 115.95 123.72 3ibp h TRP 604 Ca -0.04 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.94 3ibp h TRP 604 Cb 1.55 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.61 3ibp h TRP 604 CO 0.03 0.00 -0.13 1.25 -2.79 0.00 0.00 178.44 176.80 3ibp h LEU 605 N 0.00 -0.30 -1.44 0.65 6.46 -0.64 -2.20 115.31 117.83 3ibp h LEU 605 Ca 0.00 0.01 0.24 0.00 -0.12 0.00 0.00 57.88 58.01 3ibp h LEU 605 Cb 0.78 0.08 -0.08 0.00 -0.73 0.00 0.00 40.66 40.71 3ibp h LEU 605 CO 0.00 0.02 0.64 0.00 -0.62 0.00 0.00 178.44 178.48 3ibp h ALA 606 N -1.36 2.23 -0.51 1.25 0.00 -1.50 0.15 119.26 119.53 3ibp h ALA 606 Ca -0.04 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3ibp h ALA 606 Cb 0.28 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3ibp h ALA 606 CO 0.06 -0.58 0.12 0.00 0.00 0.00 0.00 179.25 178.86 3ibp h ALA 607 N 1.61 0.67 -0.37 0.00 0.00 -1.31 -2.51 119.26 117.34 3ibp h ALA 607 Ca 0.53 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 3ibp h ALA 607 Cb 1.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3ibp h ALA 607 CO -0.23 0.36 -0.20 1.96 0.00 0.00 0.00 179.25 181.15 3ibp h GLN 608 N 0.70 0.71 0.65 0.00 1.08 -0.08 -2.15 115.11 116.03 3ibp h GLN 608 Ca 0.16 -0.27 -0.03 0.00 -1.45 0.00 0.00 58.65 57.06 3ibp h GLN 608 Cb 0.33 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 3ibp h GLN 608 CO 0.00 0.86 -0.41 -0.91 -0.95 0.00 0.00 178.83 177.42 3ibp h ASN 609 N 0.63 -1.03 -0.66 1.46 2.35 -1.18 -1.71 115.58 115.45 3ibp h ASN 609 Ca 0.09 0.06 0.13 0.00 -0.55 0.00 0.00 56.30 56.03 3ibp h ASN 609 Cb 0.68 0.30 -0.04 0.00 0.05 0.00 0.00 38.32 39.31 3ibp h ASN 609 CO 0.05 -0.63 0.44 0.28 -1.65 0.00 0.00 177.43 175.93 3ibp h SER 610 N -1.00 0.32 -0.05 5.81 0.02 -1.36 -0.86 113.55 116.44 3ibp h SER 610 Ca -0.08 0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.73 3ibp h SER 610 Cb 0.81 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 63.31 3ibp h SER 610 CO 0.08 0.18 -0.57 0.25 -1.14 0.00 0.00 176.83 175.63 3ibp h LEU 611 N 0.35 0.59 -0.64 5.07 5.85 -1.17 -1.15 115.31 124.20 3ibp h LEU 611 Ca 0.31 -0.70 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3ibp h LEU 611 Cb 0.76 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 3ibp h LEU 611 CO -0.08 1.20 0.42 0.78 -0.34 0.00 0.00 178.44 180.41 3ibp h ASN 612 N 0.02 0.74 0.19 1.25 2.35 -0.78 -0.82 115.58 118.53 3ibp h ASN 612 Ca -0.06 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 3ibp h ASN 612 Cb 1.24 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.43 3ibp h ASN 612 CO 0.11 0.54 -0.09 -0.61 -1.65 0.00 0.00 177.43 175.74 3ibp h GLN 613 N 0.87 -0.25 -0.29 0.81 4.15 -1.11 0.55 115.11 119.83 3ibp h GLN 613 Ca 0.23 0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.59 3ibp h GLN 613 Cb -0.09 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.64 3ibp h GLN 613 CO -0.05 -0.00 -0.15 1.25 -1.93 0.00 0.00 178.83 177.95 3ibp h LEU 614 N -0.48 0.50 -0.43 -2.39 6.46 -1.19 -1.48 115.31 116.30 3ibp h LEU 614 Ca -0.03 -0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.60 3ibp h LEU 614 Cb 0.36 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.16 3ibp h LEU 614 CO 0.04 0.67 0.00 -1.28 -0.62 0.00 0.00 178.44 177.26 3ibp h SER 615 N 0.47 0.00 0.80 1.25 0.87 -0.92 -2.78 113.55 113.24 3ibp h SER 615 Ca 0.08 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.40 3ibp h SER 615 Cb 0.53 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 3ibp h SER 615 CO 0.03 0.00 -1.26 -0.08 -0.53 0.00 0.00 176.83 175.00 3ibp h GLU 616 N 0.00 0.02 0.00 2.24 4.81 0.13 -3.33 114.58 118.46 3ibp h GLU 616 Ca 0.00 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3ibp h GLU 616 Cb 0.59 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 3ibp h GLU 616 CO 0.00 0.86 -0.08 1.96 -0.73 0.00 0.00 179.01 181.02 3ibp h GLN 617 N 0.01 0.00 -3.90 1.92 4.20 -1.09 -3.41 115.11 112.83 3ibp h GLN 617 Ca -0.11 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.32 3ibp h GLN 617 Cb 1.87 0.00 -0.29 0.00 0.30 0.00 0.00 27.48 29.36 3ibp h GLN 617 CO 0.12 0.08 -0.73 0.00 -0.67 0.00 0.00 178.83 177.63 3ibp s GLY 619 N 0.12 -0.22 0.25 0.00 0.00 -1.26 -4.80 107.32 101.40 3ibp s GLY 619 Ca -0.01 -0.89 -0.22 0.00 0.00 0.00 0.00 44.72 43.61 3ibp s GLY 619 CO -0.00 3.81 0.74 -0.54 0.00 0.00 0.00 173.10 177.10 3ibp s GLU 620 N 7.79 1.64 -0.09 2.90 0.41 -1.26 -5.16 118.70 124.93 3ibp s GLU 620 Ca 0.81 -0.88 0.01 0.00 -0.41 0.00 0.00 54.97 54.49 3ibp s GLU 620 Cb -0.11 0.58 0.02 0.00 -1.78 0.00 0.00 34.13 32.83 3ibp s GLU 620 CO 0.10 -0.75 -0.09 -2.00 -0.49 0.00 0.00 175.26 172.03 3ibp s GLU 621 N -3.81 1.55 -0.62 1.61 2.12 -1.26 -4.86 118.70 113.44 3ibp s GLU 621 Ca 0.10 -0.31 -0.12 0.00 0.36 0.00 0.00 54.97 55.00 3ibp s GLU 621 Cb -0.05 -1.46 0.16 0.00 0.26 0.00 0.00 34.13 33.04 3ibp s GLU 621 CO 0.04 -0.13 0.53 -0.06 -0.54 0.00 0.00 175.26 175.10 3ibp s PHE 622 N 1.21 3.48 -0.05 5.30 0.40 -1.26 -4.85 117.98 122.20 3ibp s PHE 622 Ca -0.04 -1.84 0.13 0.00 -0.60 0.00 0.00 56.93 54.57 3ibp s PHE 622 Cb -0.14 -3.65 -0.11 0.00 0.51 0.00 0.00 43.02 39.63 3ibp s PHE 622 CO -0.03 -0.98 1.12 1.79 0.70 0.00 0.00 175.22 177.82 3ibp h THR 623 N 5.54 1.00 -3.48 0.64 1.35 -1.98 -3.48 112.91 112.50 3ibp h THR 623 Ca -0.12 -2.57 -0.35 0.00 -0.55 0.00 0.00 66.41 62.83 3ibp h THR 623 Cb 1.06 2.44 -0.14 0.00 -1.73 0.00 0.00 68.15 69.77 3ibp h THR 623 CO 0.86 0.57 -0.66 -0.94 -0.25 0.00 0.00 175.52 175.11 3ibp s SER 624 N -6.30 1.60 0.33 5.36 1.04 -1.26 -5.00 113.70 109.47 3ibp s SER 624 Ca 0.00 -1.21 0.16 0.00 0.48 0.00 0.00 55.95 55.38 3ibp s SER 624 Cb 0.09 0.05 0.47 0.00 0.10 0.00 0.00 66.02 66.73 3ibp s SER 624 CO 0.79 -0.54 1.64 -1.28 0.98 0.00 0.00 173.24 174.83 3ibp h SER 625 N 2.54 0.00 0.11 7.02 0.87 -1.96 -2.95 113.55 119.18 3ibp h SER 625 Ca -0.38 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.09 3ibp h SER 625 Cb 1.22 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 3ibp h SER 625 CO 0.64 0.48 -0.33 1.56 -0.53 0.00 0.00 176.83 178.65 3ibp h GLN 626 N 0.00 0.32 -0.58 2.24 4.20 -1.99 -2.34 115.11 116.95 3ibp h GLN 626 Ca -0.00 -0.13 0.03 0.00 0.06 0.00 0.00 58.65 58.61 3ibp h GLN 626 Cb 1.07 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.79 3ibp h GLN 626 CO 0.06 0.62 0.35 -0.44 -0.67 0.00 0.00 178.83 178.74 3ibp h ASP 627 N 0.28 0.55 -0.77 1.46 3.32 -1.92 -0.28 116.42 119.07 3ibp h ASP 627 Ca 0.04 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.14 3ibp h ASP 627 Cb 0.72 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 40.11 3ibp h ASP 627 CO 0.05 0.38 0.48 0.58 -1.72 0.00 0.00 179.24 179.01 3ibp h VAL 628 N 0.68 1.07 -0.03 -1.35 2.07 -1.43 0.21 116.25 117.47 3ibp h VAL 628 Ca 0.24 -0.31 -0.13 0.00 0.82 0.00 0.00 66.70 67.32 3ibp h VAL 628 Cb 0.05 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 3ibp h VAL 628 CO -0.12 0.17 -0.56 0.71 0.02 0.00 0.00 177.57 177.79 3ibp h THR 629 N 0.91 1.39 0.04 2.57 1.35 -0.97 -2.70 112.91 115.49 3ibp h THR 629 Ca 0.32 -1.91 -0.00 0.00 -0.55 0.00 0.00 66.41 64.27 3ibp h THR 629 Cb 0.08 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 3ibp h THR 629 CO -0.14 0.55 -0.02 -0.33 -0.25 0.00 0.00 175.52 175.34 3ibp h GLU 630 N 0.08 -0.05 -0.30 4.72 5.08 -0.24 -2.07 114.58 121.79 3ibp h GLU 630 Ca -0.00 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 3ibp h GLU 630 Cb 1.02 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 3ibp h GLU 630 CO 0.08 0.51 0.25 -0.92 -1.00 0.00 0.00 179.01 177.92 3ibp h TYR 631 N -0.67 0.00 0.00 4.33 3.20 -1.01 -1.79 116.97 121.03 3ibp h TYR 631 Ca -0.01 0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.63 3ibp h TYR 631 Cb 0.59 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.82 3ibp h TYR 631 CO 0.12 0.00 -1.25 1.25 -1.64 0.00 0.00 178.16 176.65 3ibp h LEU 632 N 0.00 0.01 -0.34 2.82 5.85 -1.39 -1.42 115.31 120.84 3ibp h LEU 632 Ca 0.14 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.87 3ibp h LEU 632 Cb 0.63 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3ibp h LEU 632 CO -0.00 1.01 0.19 1.56 -0.34 0.00 0.00 178.44 180.85 3ibp h GLN 633 N 0.00 0.37 -0.53 1.25 4.20 -0.59 -2.02 115.11 117.79 3ibp h GLN 633 Ca -0.11 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.51 3ibp h GLN 633 Cb 1.86 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.53 3ibp h GLN 633 CO 0.11 0.25 0.02 1.96 -0.67 0.00 0.00 178.83 180.50 3ibp h GLN 634 N 0.38 0.89 -0.36 1.46 4.20 -1.48 -2.41 115.11 117.78 3ibp h GLN 634 Ca 0.14 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 3ibp h GLN 634 Cb 0.02 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3ibp h GLN 634 CO -0.08 0.87 0.12 1.25 -0.67 0.00 0.00 178.83 180.32 3ibp h LEU 635 N 0.83 0.47 0.04 1.46 5.85 -0.92 -2.07 115.31 120.96 3ibp h LEU 635 Ca 0.16 -0.05 -0.24 0.00 0.84 0.00 0.00 57.88 58.59 3ibp h LEU 635 Cb 0.46 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3ibp h LEU 635 CO 0.02 0.45 -1.12 -0.07 -0.34 0.00 0.00 178.44 177.38 3ibp h LEU 636 N 0.51 0.13 0.16 2.25 3.38 -0.89 -2.47 115.31 118.39 3ibp h LEU 636 Ca 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3ibp h LEU 636 Cb 0.14 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3ibp h LEU 636 CO -0.01 1.12 -0.08 1.05 0.09 0.00 0.00 178.44 180.61 3ibp h GLU 637 N 0.02 -0.21 -1.00 1.13 4.11 -1.33 -1.12 114.58 116.19 3ibp h GLU 637 Ca -0.07 0.01 0.37 0.00 0.07 0.00 0.00 59.36 59.75 3ibp h GLU 637 Cb 1.85 0.05 -0.18 0.00 0.50 0.00 0.00 28.75 30.97 3ibp h GLU 637 CO 0.15 0.17 0.39 0.00 0.07 0.00 0.00 179.01 179.79 3ibp h ARG 638 N -0.64 0.02 0.24 1.06 3.08 -1.41 -1.05 114.38 115.68 3ibp h ARG 638 Ca -0.02 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3ibp h ARG 638 Cb 0.48 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3ibp h ARG 638 CO 0.04 0.02 -0.12 1.49 -1.07 0.00 0.00 179.97 180.33 3ibp h GLU 639 N 0.02 -0.31 -0.78 0.04 4.81 -1.16 -2.65 114.58 114.55 3ibp h GLU 639 Ca 0.77 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 60.01 3ibp h GLU 639 Cb 1.91 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 31.32 3ibp h GLU 639 CO -0.80 0.01 0.47 0.07 -0.73 0.00 0.00 179.01 178.03 3ibp h ARG 640 N -0.96 1.06 -0.29 1.92 0.11 -0.56 -1.14 114.38 114.53 3ibp h ARG 640 Ca -0.03 -0.10 -0.01 0.00 0.10 0.00 0.00 59.98 59.95 3ibp h ARG 640 Cb 0.47 -0.22 -0.01 0.00 1.11 0.00 0.00 29.97 31.32 3ibp h ARG 640 CO 0.05 0.75 0.16 0.93 0.10 0.00 0.00 179.97 181.96 3ibp h GLU 641 N 1.07 0.40 -0.04 0.08 5.08 -1.33 -1.68 114.58 118.15 3ibp h GLU 641 Ca 0.28 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.60 3ibp h GLU 641 Cb -0.04 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3ibp h GLU 641 CO -0.05 0.35 0.03 0.00 -1.00 0.00 0.00 179.01 178.34 3ibp h ALA 642 N 1.03 2.00 0.01 3.43 0.00 -1.07 -1.63 119.26 123.03 3ibp h ALA 642 Ca 0.10 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 3ibp h ALA 642 Cb 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3ibp h ALA 642 CO -0.02 -0.01 -1.03 0.82 0.00 0.00 0.00 179.25 179.01 3ibp h ILE 643 N 0.03 1.68 0.02 0.00 2.04 -0.35 -1.40 117.51 119.53 3ibp h ILE 643 Ca 0.02 -3.39 -0.22 0.00 1.00 0.00 0.00 64.86 62.26 3ibp h ILE 643 Cb 0.03 2.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.96 3ibp h ILE 643 CO -0.00 0.96 -0.96 0.58 0.00 0.00 0.00 178.15 178.73 3ibp h VAL 644 N 0.00 1.44 -0.19 1.67 2.07 -1.04 -2.19 116.25 118.01 3ibp h VAL 644 Ca -0.02 -2.56 -0.10 0.00 0.82 0.00 0.00 66.70 64.84 3ibp h VAL 644 Cb 1.79 2.49 -0.00 0.00 -1.52 0.00 0.00 31.29 34.04 3ibp h VAL 644 CO 0.13 0.76 -0.26 -0.33 0.02 0.00 0.00 177.57 177.89 3ibp h GLU 645 N 0.18 0.51 -0.20 1.57 4.39 -1.32 0.13 114.58 119.85 3ibp h GLU 645 Ca -0.08 -0.30 -0.10 0.00 0.34 0.00 0.00 59.36 59.23 3ibp h GLU 645 Cb 1.60 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.26 3ibp h GLU 645 CO 0.16 0.89 -0.29 0.07 -1.16 0.00 0.00 179.01 178.68 3ibp h ARG 646 N 0.17 0.39 -0.05 2.33 0.11 -1.34 -0.06 114.38 115.93 3ibp h ARG 646 Ca 0.02 -0.15 -0.23 0.00 0.10 0.00 0.00 59.98 59.72 3ibp h ARG 646 Cb 0.83 -0.02 0.01 0.00 1.11 0.00 0.00 29.97 31.90 3ibp h ARG 646 CO 0.06 0.65 -0.89 -0.44 0.10 0.00 0.00 179.97 179.45 3ibp h ASP 647 N 0.34 0.71 -0.18 0.08 3.32 -1.32 -2.40 116.42 116.97 3ibp h ASP 647 Ca 0.05 -0.52 -0.13 0.00 0.02 0.00 0.00 57.03 56.45 3ibp h ASP 647 Cb 0.69 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3ibp h ASP 647 CO 0.05 1.31 -0.39 -0.08 -1.72 0.00 0.00 179.24 178.41 3ibp h GLU 648 N 0.35 0.58 0.74 3.56 4.81 -0.58 -1.67 114.58 122.37 3ibp h GLU 648 Ca -0.08 -0.39 -0.03 0.00 -0.13 0.00 0.00 59.36 58.73 3ibp h GLU 648 Cb 1.51 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.95 3ibp h GLU 648 CO 0.17 1.00 -0.39 0.28 -0.73 0.00 0.00 179.01 179.34 3ibp h VAL 649 N 0.24 0.21 -0.24 0.32 2.07 -1.07 -1.29 116.25 116.48 3ibp h VAL 649 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 3ibp h VAL 649 Cb 1.00 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3ibp h VAL 649 CO 0.09 0.00 0.19 1.23 0.02 0.00 0.00 177.57 179.10 3ibp h GLY 650 N -1.04 0.00 0.78 2.17 0.00 -1.46 0.53 103.07 104.05 3ibp h GLY 650 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 3ibp h GLY 650 CO 0.14 0.00 0.01 0.00 0.00 0.00 0.00 176.54 176.69 3ibp h ALA 651 N 1.85 0.03 -0.42 3.60 0.00 -0.90 -0.98 119.26 122.44 3ibp h ALA 651 Ca 0.12 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3ibp h ALA 651 Cb 0.50 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3ibp h ALA 651 CO -0.00 -0.35 -0.01 -0.09 0.00 0.00 0.00 179.25 178.80 3ibp h ARG 652 N -0.19 0.67 0.17 0.00 9.65 0.13 -2.03 114.38 122.78 3ibp h ARG 652 Ca 0.01 -0.17 -0.01 0.00 -1.10 0.00 0.00 59.98 58.71 3ibp h ARG 652 Cb 0.24 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 3ibp h ARG 652 CO 0.00 0.70 -0.08 -0.22 2.80 0.00 0.00 179.97 183.17 3ibp h LYS 653 N 0.64 -0.22 0.00 0.20 3.64 0.12 -2.38 116.57 118.57 3ibp h LYS 653 Ca 0.13 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 3ibp h LYS 653 Cb 0.41 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3ibp h LYS 653 CO 0.02 -0.06 -0.05 -0.91 -2.27 0.00 0.00 179.45 176.18 3ibp h ASN 654 N -0.34 0.00 0.93 4.20 -0.26 -1.05 -0.31 115.58 118.76 3ibp h ASN 654 Ca -0.02 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 3ibp h ASN 654 Cb 0.26 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.52 3ibp h ASN 654 CO 0.04 0.05 0.00 0.00 -1.06 0.00 0.00 177.43 176.46 3ibp n ALA 655 N -2.17 2.14 -0.12 -0.83 0.00 -0.77 -2.39 120.51 116.37 3ibp n ALA 655 Ca -0.01 -0.07 -0.24 0.00 0.00 0.00 0.00 53.44 53.11 3ibp n ALA 655 Cb 0.21 -1.41 -0.09 0.00 0.00 0.00 0.00 19.45 18.16 3ibp n ALA 655 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ibp n VAL 656 N -1.63 1.29 -0.35 0.00 0.31 -0.24 -2.82 118.33 114.89 3ibp n VAL 656 Ca 0.06 -0.34 0.32 0.00 -0.01 0.00 0.00 64.34 64.36 3ibp n VAL 656 Cb 0.31 -1.77 0.58 0.00 -0.91 0.00 0.00 33.84 32.05 3ibp n VAL 656 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3ibp h ASP 657 N -0.77 0.34 0.16 4.52 3.32 -1.28 -0.02 116.42 122.68 3ibp h ASP 657 Ca -0.59 0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.68 3ibp h ASP 657 Cb 1.54 0.22 0.00 0.00 0.22 0.00 0.00 39.33 41.31 3ibp h ASP 657 CO -0.34 -0.34 -0.08 -0.08 -1.72 0.00 0.00 179.24 176.69 3ibp h GLU 658 N 0.07 -0.21 -0.31 3.56 4.22 -1.64 -2.93 114.58 117.34 3ibp h GLU 658 Ca 0.83 0.01 0.03 0.00 0.08 0.00 0.00 59.36 60.31 3ibp h GLU 658 Cb 2.23 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 31.49 3ibp h GLU 658 CO -0.67 -0.14 -0.19 -1.91 -2.18 0.00 0.00 179.01 173.92 3ibp n GLU 659 N -4.15 -0.14 -0.20 1.92 4.07 -0.69 -0.49 120.64 120.96 3ibp n GLU 659 Ca -0.03 0.96 -0.05 0.00 -0.06 0.00 0.00 57.16 57.98 3ibp n GLU 659 Cb 0.09 -1.42 0.01 0.00 -0.06 0.00 0.00 31.44 30.05 3ibp n GLU 659 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 3ibp h ILE 660 N 0.00 0.18 -0.89 6.31 2.04 -1.19 -0.35 117.51 123.61 3ibp h ILE 660 Ca 0.05 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.10 3ibp h ILE 660 Cb 0.13 0.18 -0.17 0.00 -0.74 0.00 0.00 36.82 36.22 3ibp h ILE 660 CO -0.30 0.00 -0.15 -0.08 0.00 0.00 0.00 178.15 177.62 3ibp h GLU 661 N -0.16 0.01 0.39 2.37 4.81 -0.58 -2.14 114.58 119.27 3ibp h GLU 661 Ca 0.23 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 3ibp h GLU 661 Cb 0.55 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.93 3ibp h GLU 661 CO -0.67 0.01 -0.19 0.00 -0.73 0.00 0.00 179.01 177.43 3ibp h ARG 662 N 0.01 -0.50 0.00 1.92 3.08 -0.46 -2.72 114.38 115.72 3ibp h ARG 662 Ca 0.45 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.54 3ibp h ARG 662 Cb 0.75 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3ibp h ARG 662 CO -0.88 -0.32 0.00 1.28 -1.07 0.00 0.00 179.97 178.98 3ibp n LEU 663 N -5.30 0.00 -0.08 3.04 4.77 -0.84 -3.36 117.00 115.22 3ibp n LEU 663 Ca -0.11 0.43 -0.23 0.00 -0.03 0.00 0.00 56.01 56.08 3ibp n LEU 663 Cb 0.23 -0.43 -0.12 0.00 -2.33 0.00 0.00 43.42 40.77 3ibp n LEU 663 CO 0.36 -0.32 -0.95 -1.20 -1.33 0.00 0.00 177.39 173.95 3ibp n SER 664 N -1.43 1.98 -4.61 -1.43 7.64 -0.99 -4.86 113.62 109.92 3ibp n SER 664 Ca 0.02 0.24 -0.44 0.00 1.01 0.00 0.00 58.87 59.70 3ibp n SER 664 Cb 0.08 -0.81 -0.04 0.00 -1.01 0.00 0.00 64.21 62.43 3ibp n SER 664 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ibp n GLN 665 N -3.90 2.17 -3.56 1.43 6.02 -1.20 -4.91 117.38 113.44 3ibp n GLN 665 Ca -0.39 0.70 -0.37 0.00 -0.01 0.00 0.00 57.00 56.92 3ibp n GLN 665 Cb 0.89 -3.01 -0.09 0.00 1.02 0.00 0.00 30.24 29.05 3ibp n GLN 665 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3ibp s PRO 666 N 5.47 4.08 -0.14 -1.09 0.04 -1.26 -4.75 135.00 137.35 3ibp s PRO 666 Ca 0.97 -0.13 0.01 0.00 0.04 0.00 0.00 61.00 61.90 3ibp s PRO 666 Cb -0.47 -3.56 0.02 0.00 0.04 0.00 0.00 34.50 30.52 3ibp s PRO 666 CO 0.41 -0.03 -0.17 0.20 0.04 0.00 0.00 177.00 177.46 3ibp s GLY 667 N 1.20 1.18 0.00 0.56 0.00 -1.26 -4.92 107.32 104.08 3ibp s GLY 667 Ca 0.11 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.89 3ibp s GLY 667 CO 0.07 0.30 0.00 0.61 0.00 0.00 0.00 173.10 174.08 3ibp n GLY 668 N 4.45 1.50 3.14 0.20 0.00 -1.26 -4.78 105.19 108.44 3ibp n GLY 668 Ca -0.19 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 3ibp n GLY 668 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ibp s SER 669 N 0.00 2.48 0.66 1.61 1.04 -1.26 -5.16 113.70 113.07 3ibp s SER 669 Ca 0.00 -0.43 -0.18 0.00 0.48 0.00 0.00 55.95 55.82 3ibp s SER 669 Cb 0.00 -1.06 -0.00 0.00 0.10 0.00 0.00 66.02 65.05 3ibp s SER 669 CO 0.00 0.12 1.28 -0.70 0.98 0.00 0.00 173.24 174.92 3ibp s GLU 670 N 0.40 2.50 0.22 4.02 2.12 -1.26 -4.91 118.70 121.79 3ibp s GLU 670 Ca -0.15 2.02 -0.30 0.00 0.36 0.00 0.00 54.97 56.90 3ibp s GLU 670 Cb -0.16 -1.85 -0.09 0.00 0.26 0.00 0.00 34.13 32.29 3ibp s GLU 670 CO 0.06 -1.62 1.34 0.34 -0.54 0.00 0.00 175.26 174.83 3ibp s ASP 671 N -1.48 6.83 0.10 -1.70 -1.08 -1.26 -4.94 116.67 113.14 3ibp s ASP 671 Ca 0.81 2.48 -0.14 0.00 -0.52 0.00 0.00 52.55 55.19 3ibp s ASP 671 Cb -0.36 -2.62 -0.12 0.00 -1.46 0.00 0.00 42.92 38.36 3ibp s ASP 671 CO 0.40 -0.56 1.35 0.06 0.52 0.00 0.00 175.17 176.94 3ibp h GLN 672 N 5.12 0.75 -0.94 4.34 3.07 -2.02 -3.20 115.11 122.23 3ibp h GLN 672 Ca -0.45 -0.51 0.27 0.00 0.09 0.00 0.00 58.65 58.05 3ibp h GLN 672 Cb 1.22 0.07 -0.14 0.00 0.08 0.00 0.00 27.48 28.71 3ibp h GLN 672 CO 0.76 1.13 0.42 0.00 0.09 0.00 0.00 178.83 181.23 3ibp h ARG 673 N 0.48 0.30 -0.40 0.06 3.08 -2.00 -0.19 114.38 115.70 3ibp h ARG 673 Ca -0.00 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.09 3ibp h ARG 673 Cb 1.14 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.07 3ibp h ARG 673 CO 0.11 0.20 0.07 -0.07 -1.07 0.00 0.00 179.97 179.21 3ibp h LEU 674 N 0.31 -0.01 -0.76 3.04 3.38 -1.96 0.63 115.31 119.93 3ibp h LEU 674 Ca 0.64 0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.82 3ibp h LEU 674 Cb 1.35 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 42.11 3ibp h LEU 674 CO -0.61 0.03 0.32 0.78 0.09 0.00 0.00 178.44 179.05 3ibp h ASN 675 N 0.20 0.32 -0.70 -0.43 2.35 -1.18 -0.92 115.58 115.22 3ibp h ASN 675 Ca 0.19 0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.98 3ibp h ASN 675 Cb 0.24 0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 3ibp h ASN 675 CO -0.26 0.13 0.16 0.00 -1.65 0.00 0.00 177.43 175.80 3ibp h ALA 676 N 1.54 0.93 -0.08 -0.83 0.00 -0.74 -2.46 119.26 117.63 3ibp h ALA 676 Ca 0.42 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 3ibp h ALA 676 Cb 0.62 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ibp h ALA 676 CO -0.39 0.66 -0.76 -0.07 0.00 0.00 0.00 179.25 178.69 3ibp h LEU 677 N 1.07 0.54 -1.21 0.00 3.38 -0.26 -1.63 115.31 117.20 3ibp h LEU 677 Ca 0.22 -0.37 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 3ibp h LEU 677 Cb 0.39 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3ibp h LEU 677 CO 0.00 1.12 -0.30 0.00 0.09 0.00 0.00 178.44 179.36 3ibp h ALA 678 N 0.87 1.34 -0.16 1.53 0.00 -1.06 -1.19 119.26 120.59 3ibp h ALA 678 Ca -0.04 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.39 3ibp h ALA 678 Cb 1.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3ibp h ALA 678 CO 0.13 0.46 -0.60 1.49 0.00 0.00 0.00 179.25 180.74 3ibp h GLU 679 N 0.15 0.52 0.93 0.00 4.81 -1.32 -3.30 114.58 116.36 3ibp h GLU 679 Ca 0.02 -0.35 -0.04 0.00 -0.13 0.00 0.00 59.36 58.86 3ibp h GLU 679 Cb 0.61 0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.04 3ibp h GLU 679 CO 0.04 0.96 -0.47 0.00 -0.73 0.00 0.00 179.01 178.82 3ibp h ARG 680 N 0.39 -1.23 -6.05 1.92 3.08 -0.25 -3.38 114.38 108.86 3ibp h ARG 680 Ca -0.00 0.08 -0.57 0.00 0.07 0.00 0.00 59.98 59.56 3ibp h ARG 680 Cb 1.15 0.28 -0.06 0.00 0.08 0.00 0.00 29.97 31.42 3ibp h ARG 680 CO 0.11 -0.82 0.32 -0.06 -1.07 0.00 0.00 179.97 178.45 3ibp s PHE 681 N -5.99 3.50 -0.29 3.04 2.99 -0.67 -4.97 117.98 115.58 3ibp s PHE 681 Ca -0.19 1.34 -0.41 0.00 0.00 0.00 0.00 56.93 57.67 3ibp s PHE 681 Cb 0.02 -2.99 -0.16 0.00 0.00 0.00 0.00 43.02 39.90 3ibp s PHE 681 CO 0.60 -0.12 1.74 0.41 -0.00 0.00 0.00 175.22 177.85 3ibp n GLY 682 N 3.27 0.82 0.00 4.36 0.00 -1.26 -4.68 105.19 107.70 3ibp n GLY 682 Ca 0.03 0.93 0.00 0.00 0.00 0.00 0.00 46.02 46.99 3ibp n GLY 682 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ibp n GLY 683 N 4.18 2.70 3.64 -0.02 0.00 -1.24 -4.80 105.19 109.66 3ibp n GLY 683 Ca 0.27 -1.38 -0.28 0.00 0.00 0.00 0.00 46.02 44.63 3ibp n GLY 683 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ibp s VAL 684 N -2.00 3.66 0.78 1.61 1.01 -0.98 -4.48 120.40 120.00 3ibp s VAL 684 Ca 0.00 -1.33 -0.12 0.00 0.00 0.00 0.00 61.98 60.54 3ibp s VAL 684 Cb 0.00 -2.79 0.06 0.00 0.00 0.00 0.00 36.38 33.64 3ibp s VAL 684 CO 0.00 -0.02 1.12 -0.22 0.00 0.00 0.00 175.10 175.98 3ibp s LEU 685 N -2.66 2.63 -0.04 3.92 2.96 -1.26 -1.04 118.68 123.19 3ibp s LEU 685 Ca 0.26 1.09 0.16 0.00 -0.22 0.00 0.00 54.13 55.41 3ibp s LEU 685 Cb -0.10 -3.71 -0.21 0.00 0.50 0.00 0.00 46.19 42.67 3ibp s LEU 685 CO 0.17 -1.77 0.57 -0.11 -1.32 0.00 0.00 176.35 173.89 3ibp n LEU 686 N -3.28 0.59 0.22 -0.68 7.94 -1.03 -2.31 117.00 118.45 3ibp n LEU 686 Ca 0.07 0.27 0.16 0.00 -1.11 0.00 0.00 56.01 55.40 3ibp n LEU 686 Cb 0.58 0.20 0.83 0.00 0.53 0.00 0.00 43.42 45.55 3ibp n LEU 686 CO 0.57 0.29 1.14 0.28 -1.11 0.00 0.00 177.39 178.56 3ibp h SER 687 N 0.00 0.00 0.16 1.96 0.02 -1.82 -1.42 113.55 112.46 3ibp h SER 687 Ca -0.28 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.32 3ibp h SER 687 Cb 1.83 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.32 3ibp h SER 687 CO 0.05 0.00 -2.14 1.21 -1.14 0.00 0.00 176.83 174.80 3ibp n GLU 688 N -3.91 0.68 -0.19 3.45 2.13 -1.23 -2.36 120.64 119.20 3ibp n GLU 688 Ca 0.01 0.16 -0.07 0.00 0.66 0.00 0.00 57.16 57.91 3ibp n GLU 688 Cb 0.26 -1.63 0.02 0.00 0.27 0.00 0.00 31.44 30.36 3ibp n GLU 688 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3ibp h ILE 689 N 0.01 1.19 -0.71 6.31 2.04 -1.00 -2.73 117.51 122.62 3ibp h ILE 689 Ca -0.46 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 64.89 3ibp h ILE 689 Cb 2.07 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 3ibp h ILE 689 CO 0.03 0.21 0.00 -1.22 0.00 0.00 0.00 178.15 177.17 3ibp n TYR 690 N -4.59 0.95 0.13 1.37 4.01 -0.58 -4.18 117.16 114.26 3ibp n TYR 690 Ca 0.03 -0.48 0.08 0.00 -0.16 0.00 0.00 57.90 57.37 3ibp n TYR 690 Cb 0.10 0.00 0.42 0.00 -0.31 0.00 0.00 39.34 39.55 3ibp n TYR 690 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 3ibp n ASP 691 N 1.62 0.40 0.13 7.72 5.75 -1.00 -1.65 116.55 129.53 3ibp n ASP 691 Ca 0.24 0.65 0.10 0.00 -0.01 0.00 0.00 54.79 55.77 3ibp n ASP 691 Cb 0.61 -0.68 0.04 0.00 -1.03 0.00 0.00 41.12 40.07 3ibp n ASP 691 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 3ibp h ASP 692 N 0.00 0.00 -3.95 -1.12 3.58 -1.77 -1.20 116.42 111.95 3ibp h ASP 692 Ca 0.00 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 56.96 3ibp h ASP 692 Cb 0.17 0.00 0.19 0.00 1.72 0.00 0.00 39.33 41.41 3ibp h ASP 692 CO 0.00 0.08 0.18 0.68 -2.88 0.00 0.00 179.24 177.29 3ibp s VAL 693 N -3.26 2.26 0.76 2.25 -7.23 -0.88 -4.39 120.40 109.91 3ibp s VAL 693 Ca 0.02 0.09 -0.11 0.00 -1.81 0.00 0.00 61.98 60.16 3ibp s VAL 693 Cb 0.08 -2.23 0.05 0.00 0.56 0.00 0.00 36.38 34.84 3ibp s VAL 693 CO 0.76 -0.11 1.09 -0.94 -0.31 0.00 0.00 175.10 175.58 3ibp s SER 694 N -2.81 4.81 0.24 4.85 1.04 -1.26 -4.47 113.70 116.10 3ibp s SER 694 Ca 0.66 1.35 0.11 0.00 0.48 0.00 0.00 55.95 58.55 3ibp s SER 694 Cb -0.22 -2.13 0.24 0.00 0.10 0.00 0.00 66.02 64.01 3ibp s SER 694 CO 0.60 -1.77 1.54 -0.07 0.98 0.00 0.00 173.24 174.51 3ibp h LEU 695 N -0.95 0.00 0.00 2.42 4.07 -1.92 0.28 115.31 119.21 3ibp h LEU 695 Ca -0.46 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.40 3ibp h LEU 695 Cb 1.25 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.98 3ibp h LEU 695 CO 0.59 0.69 -0.71 1.05 -1.08 0.00 0.00 178.44 178.98 3ibp h GLU 696 N 0.00 0.00 0.01 1.13 9.09 -2.02 -3.33 114.58 119.46 3ibp h GLU 696 Ca -0.01 0.00 -0.35 0.00 0.05 0.00 0.00 59.36 59.05 3ibp h GLU 696 Cb 1.25 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.29 3ibp h GLU 696 CO 0.09 0.36 -2.21 -0.25 0.05 0.00 0.00 179.01 177.04 3ibp n ASP 697 N -3.09 0.60 -0.22 3.06 8.00 -1.09 -4.53 116.55 119.28 3ibp n ASP 697 Ca -0.01 0.10 0.02 0.00 0.71 0.00 0.00 54.79 55.61 3ibp n ASP 697 Cb 0.72 0.44 0.13 0.00 -0.02 0.00 0.00 41.12 42.40 3ibp n ASP 697 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ibp h ALA 698 N 0.81 0.76 -0.47 2.24 0.00 -0.55 -2.02 119.26 120.03 3ibp h ALA 698 Ca -0.48 0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 3ibp h ALA 698 Cb 2.13 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 20.14 3ibp h ALA 698 CO 0.03 -0.34 -0.07 -1.00 0.00 0.00 0.00 179.25 177.87 3ibp h PRO 699 N 0.22 0.84 0.17 0.00 0.13 -1.80 -2.35 132.00 129.21 3ibp h PRO 699 Ca 0.35 -0.27 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 3ibp h PRO 699 Cb 0.57 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.62 3ibp h PRO 699 CO -0.48 0.88 -0.08 -0.92 -0.23 0.00 0.00 178.00 177.17 3ibp h TYR 700 N 0.76 -0.21 0.00 1.56 3.20 -1.64 -2.93 116.97 117.71 3ibp h TYR 700 Ca 0.13 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 3ibp h TYR 700 Cb 0.56 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.90 3ibp h TYR 700 CO 0.03 0.08 -0.06 0.74 -1.64 0.00 0.00 178.16 177.31 3ibp h PHE 701 N -0.51 0.00 -0.25 -3.82 0.05 -1.35 -1.10 116.94 109.96 3ibp h PHE 701 Ca -0.02 0.00 -0.08 0.00 3.82 0.00 0.00 57.97 61.68 3ibp h PHE 701 Cb 0.39 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.33 3ibp h PHE 701 CO 0.02 0.06 -0.16 0.77 -0.18 0.00 0.00 178.31 178.81 3ibp h SER 702 N 0.00 0.57 -0.07 2.17 0.02 -1.35 -2.85 113.55 112.04 3ibp h SER 702 Ca -0.00 -0.44 -0.04 0.00 -0.84 0.00 0.00 61.79 60.47 3ibp h SER 702 Cb 0.15 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3ibp h SER 702 CO 0.01 0.89 -0.05 0.00 -1.14 0.00 0.00 176.83 176.53 3ibp h ALA 703 N 0.71 1.55 0.33 3.77 0.00 -1.19 -3.27 119.26 121.16 3ibp h ALA 703 Ca 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3ibp h ALA 703 Cb 0.69 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3ibp h ALA 703 CO 0.05 0.33 -0.16 1.25 0.00 0.00 0.00 179.25 180.71 3ibp h LEU 704 N 0.29 -0.37 0.00 0.00 5.85 -1.00 -2.95 115.31 117.12 3ibp h LEU 704 Ca 0.06 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3ibp h LEU 704 Cb 0.28 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3ibp h LEU 704 CO 0.01 -0.14 0.00 -1.22 -0.34 0.00 0.00 178.44 176.75 3ibp n TYR 705 N -5.21 0.00 -2.01 1.25 4.01 -1.13 -4.96 117.16 109.11 3ibp n TYR 705 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3ibp n TYR 705 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 3ibp n TYR 705 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ibp n GLY 706 N 0.14 1.45 0.00 2.72 0.00 -1.12 -0.44 105.19 107.95 3ibp n GLY 706 Ca 0.10 -0.45 0.03 0.00 0.00 0.00 0.00 46.02 45.69 3ibp n GLY 706 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3ibp n PRO 707 N 7.29 0.03 0.00 1.61 -0.02 -1.26 -2.38 135.00 140.26 3ibp n PRO 707 Ca 0.00 0.35 0.05 0.00 -2.02 0.00 0.00 63.50 61.88 3ibp n PRO 707 Cb 0.00 -1.50 0.32 0.00 -0.02 0.00 0.00 33.50 32.30 3ibp n PRO 707 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3ibp n SER 708 N -1.43 0.00 -0.13 2.55 7.64 0.42 -3.96 113.62 118.71 3ibp n SER 708 Ca 0.02 -1.44 -0.09 0.00 1.01 0.00 0.00 58.87 58.37 3ibp n SER 708 Cb 0.06 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.25 3ibp n SER 708 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3ibp h ARG 709 N 0.00 0.60 -4.17 1.43 3.08 -1.54 -3.03 114.38 110.75 3ibp h ARG 709 Ca 0.00 -0.11 -0.76 0.00 0.07 0.00 0.00 59.98 59.18 3ibp h ARG 709 Cb 0.00 -0.10 -0.23 0.00 0.08 0.00 0.00 29.97 29.72 3ibp h ARG 709 CO 0.00 0.56 0.56 -1.01 -1.07 0.00 0.00 179.97 179.02 3ibp s HIS 710 N -5.54 3.73 0.25 3.04 0.09 -1.25 -4.14 115.29 111.46 3ibp s HIS 710 Ca -0.13 -2.08 0.10 0.00 -0.00 0.00 0.00 55.06 52.95 3ibp s HIS 710 Cb 0.10 -4.01 -0.04 0.00 -0.00 0.00 0.00 32.58 28.63 3ibp s HIS 710 CO 0.75 -1.15 -0.08 0.00 -0.00 0.00 0.00 174.74 174.26 3ibp s ALA 711 N 0.54 2.99 -0.17 -1.40 0.00 -1.15 -4.36 121.76 118.22 3ibp s ALA 711 Ca 0.29 -1.69 -0.05 0.00 0.00 0.00 0.00 51.96 50.51 3ibp s ALA 711 Cb -0.08 -0.61 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 3ibp s ALA 711 CO -0.07 0.31 -0.00 0.42 0.00 0.00 0.00 175.76 176.41 3ibp s ILE 712 N -2.26 4.22 -0.27 0.00 1.01 -0.12 -2.48 121.20 121.30 3ibp s ILE 712 Ca 0.30 -0.24 -0.15 0.00 0.00 0.00 0.00 60.65 60.56 3ibp s ILE 712 Cb -0.06 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 3ibp s ILE 712 CO 0.17 0.48 0.36 -0.69 0.00 0.00 0.00 174.94 175.26 3ibp s VAL 713 N 0.37 5.19 -0.08 2.92 1.01 -0.21 -1.07 120.40 128.54 3ibp s VAL 713 Ca -0.01 0.54 -0.04 0.00 0.00 0.00 0.00 61.98 62.47 3ibp s VAL 713 Cb -0.14 -3.68 0.04 0.00 0.00 0.00 0.00 36.38 32.60 3ibp s VAL 713 CO 0.02 0.17 0.18 -0.69 0.00 0.00 0.00 175.10 174.78 3ibp s VAL 714 N 2.01 -0.07 0.10 2.92 1.01 0.32 -2.31 120.40 124.39 3ibp s VAL 714 Ca 0.14 0.18 0.15 0.00 0.00 0.00 0.00 61.98 62.45 3ibp s VAL 714 Cb -0.16 -0.30 0.04 0.00 0.00 0.00 0.00 36.38 35.97 3ibp s VAL 714 CO 0.10 0.08 1.58 1.55 0.00 0.00 0.00 175.10 178.41 3ibp h PRO 715 N 7.32 0.00 0.08 2.72 0.13 -1.81 -3.29 132.00 137.16 3ibp h PRO 715 Ca -0.40 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.36 3ibp h PRO 715 Cb 1.14 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 3ibp h PRO 715 CO 0.38 0.53 -2.14 -0.25 -0.23 0.00 0.00 178.00 176.29 3ibp n ASP 716 N -3.48 1.97 -1.43 1.44 9.92 -1.26 -4.64 116.55 119.07 3ibp n ASP 716 Ca 0.00 0.11 -0.18 0.00 -0.53 0.00 0.00 54.79 54.18 3ibp n ASP 716 Cb 0.64 -0.64 -0.08 0.00 -0.64 0.00 0.00 41.12 40.40 3ibp n ASP 716 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3ibp n LEU 717 N -3.38 -1.36 -0.12 0.64 4.77 -1.25 -4.83 117.00 111.47 3ibp n LEU 717 Ca -0.36 0.43 -0.17 0.00 -0.03 0.00 0.00 56.01 55.89 3ibp n LEU 717 Cb 1.03 -2.58 -0.13 0.00 -2.33 0.00 0.00 43.42 39.42 3ibp n LEU 717 CO 0.38 -0.92 -1.32 -1.20 -1.33 0.00 0.00 177.39 173.00 3ibp n SER 718 N -0.98 1.64 -0.28 -1.43 7.64 -1.26 -3.62 113.62 115.32 3ibp n SER 718 Ca -0.18 -0.12 -0.06 0.00 1.01 0.00 0.00 58.87 59.52 3ibp n SER 718 Cb 0.60 -0.17 0.06 0.00 -1.01 0.00 0.00 64.21 63.70 3ibp n SER 718 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3ibp h GLN 719 N 0.00 1.15 -0.14 1.43 4.20 -1.99 -2.85 115.11 116.90 3ibp h GLN 719 Ca -0.57 -0.19 -0.03 0.00 0.06 0.00 0.00 58.65 57.92 3ibp h GLN 719 Cb 1.96 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 29.54 3ibp h GLN 719 CO -0.07 0.91 -0.03 0.28 -0.67 0.00 0.00 178.83 179.26 3ibp h VAL 720 N 1.12 1.28 -0.92 -0.54 2.07 -1.95 -1.34 116.25 115.96 3ibp h VAL 720 Ca 0.26 -0.95 0.18 0.00 0.82 0.00 0.00 66.70 67.01 3ibp h VAL 720 Cb 0.17 1.64 -0.08 0.00 -1.52 0.00 0.00 31.29 31.50 3ibp h VAL 720 CO -0.03 0.28 0.59 0.71 0.02 0.00 0.00 177.57 179.14 3ibp h THR 721 N -0.04 0.75 0.19 2.57 1.35 -1.59 3.18 112.91 119.31 3ibp h THR 721 Ca 0.04 -0.21 -0.01 0.00 -0.55 0.00 0.00 66.41 65.68 3ibp h THR 721 Cb 0.44 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 66.94 3ibp h THR 721 CO 0.01 0.11 -0.09 -0.33 -0.25 0.00 0.00 175.52 174.97 3ibp h GLU 722 N 0.61 -0.24 -0.00 4.72 5.08 -1.32 -3.22 114.58 120.21 3ibp h GLU 722 Ca 0.49 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 3ibp h GLU 722 Cb 0.92 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3ibp h GLU 722 CO -0.24 0.17 0.00 1.58 -1.00 0.00 0.00 179.01 179.52 3ibp n HIS 723 N -4.95 0.00 0.36 4.33 -0.00 -0.52 -4.05 115.22 110.39 3ibp n HIS 723 Ca -0.08 -0.00 -0.17 0.00 0.46 0.00 0.00 57.72 57.93 3ibp n HIS 723 Cb 0.26 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 30.05 3ibp n HIS 723 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 3ibp h LEU 724 N 0.00 -0.76 -0.72 0.27 5.85 0.58 -2.59 115.31 117.94 3ibp h LEU 724 Ca 0.00 -0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.86 3ibp h LEU 724 Cb 0.00 0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.13 3ibp h LEU 724 CO 0.00 -0.47 0.19 1.05 -0.34 0.00 0.00 178.44 178.87 3ibp h GLU 725 N -1.03 0.29 -0.97 1.25 4.11 -1.76 -2.59 114.58 113.88 3ibp h GLU 725 Ca -0.09 -0.02 0.11 0.00 0.07 0.00 0.00 59.36 59.43 3ibp h GLU 725 Cb 0.72 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.82 3ibp h GLU 725 CO 0.15 0.19 0.60 0.78 0.07 0.00 0.00 179.01 180.81 3ibp h GLY 726 N 0.30 1.57 -4.51 1.06 0.00 -1.70 -3.43 103.07 96.36 3ibp h GLY 726 Ca 0.40 -0.41 -0.52 0.00 0.00 0.00 0.00 47.33 46.80 3ibp h GLY 726 CO -0.47 0.16 0.94 1.08 0.00 0.00 0.00 176.54 178.25 3ibp s LEU 727 N -10.24 4.36 0.00 3.11 1.43 -0.98 -4.90 118.68 111.47 3ibp s LEU 727 Ca -0.12 2.85 0.00 0.00 -1.03 0.00 0.00 54.13 55.83 3ibp s LEU 727 Cb 0.22 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.82 3ibp s LEU 727 CO 0.80 -0.92 0.00 0.41 0.23 0.00 0.00 176.35 176.87 3ibp n THR 728 N 3.29 0.00 0.79 5.49 -1.04 -1.26 -4.86 114.28 116.69 3ibp n THR 728 Ca 0.13 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.26 3ibp n THR 728 Cb 0.37 -0.95 0.22 0.00 -1.82 0.00 0.00 70.33 68.15 3ibp n THR 728 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3ibp n ASP 729 N -2.66 0.57 -4.30 8.00 2.03 -1.26 -4.94 116.55 113.99 3ibp n ASP 729 Ca 0.00 -0.06 -0.40 0.00 0.52 0.00 0.00 54.79 54.85 3ibp n ASP 729 Cb 0.32 0.21 0.01 0.00 -0.72 0.00 0.00 41.12 40.94 3ibp n ASP 729 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ibp n PRO 731 N 1.24 1.33 -0.30 0.00 -0.04 -1.26 -4.80 135.00 131.17 3ibp n PRO 731 Ca 0.10 0.50 0.03 0.00 -0.04 0.00 0.00 63.50 64.09 3ibp n PRO 731 Cb 0.43 -2.46 0.22 0.00 -0.04 0.00 0.00 33.50 31.66 3ibp n PRO 731 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3ibp h GLU 732 N 0.95 1.04 -4.92 0.54 4.11 -1.97 -3.31 114.58 111.03 3ibp h GLU 732 Ca -0.50 -0.06 -0.66 0.00 0.07 0.00 0.00 59.36 58.21 3ibp h GLU 732 Cb 1.33 -0.23 -0.23 0.00 0.50 0.00 0.00 28.75 30.11 3ibp h GLU 732 CO 0.54 0.69 -0.62 -0.51 0.07 0.00 0.00 179.01 179.18 3ibp s ASP 733 N -6.06 5.13 -0.20 3.06 1.11 -1.26 -5.09 116.67 113.36 3ibp s ASP 733 Ca -0.12 -0.31 -0.02 0.00 0.18 0.00 0.00 52.55 52.28 3ibp s ASP 733 Cb 0.19 -1.92 -0.00 0.00 1.07 0.00 0.00 42.92 42.26 3ibp s ASP 733 CO 0.80 -0.07 -0.09 -0.22 1.18 0.00 0.00 175.17 176.77 3ibp s LEU 734 N 1.59 2.72 -0.13 1.23 2.96 -1.25 -5.12 118.68 120.68 3ibp s LEU 734 Ca 0.06 -0.43 -0.06 0.00 -0.22 0.00 0.00 54.13 53.48 3ibp s LEU 734 Cb -0.15 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 3ibp s LEU 734 CO 0.03 0.01 0.07 -0.31 -1.32 0.00 0.00 176.35 174.84 3ibp s TYR 735 N 1.26 3.35 0.00 5.38 2.02 -1.26 -5.06 117.35 123.05 3ibp s TYR 735 Ca 0.03 0.28 0.01 0.00 -0.37 0.00 0.00 57.07 57.02 3ibp s TYR 735 Cb -0.14 -1.94 -0.01 0.00 -0.40 0.00 0.00 41.96 39.47 3ibp s TYR 735 CO -0.04 0.46 -0.03 -0.51 -1.57 0.00 0.00 175.55 173.87 3ibp s LEU 736 N -0.50 2.06 -0.03 -1.29 1.43 -1.26 -0.95 118.68 118.14 3ibp s LEU 736 Ca 0.11 -0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3ibp s LEU 736 Cb -0.12 -0.08 0.02 0.00 0.03 0.00 0.00 46.19 46.04 3ibp s LEU 736 CO 0.02 -0.04 0.05 -0.63 0.23 0.00 0.00 176.35 175.99 3ibp s ILE 737 N -0.34 -0.04 -0.38 -0.59 1.01 -0.23 -4.90 121.20 115.73 3ibp s ILE 737 Ca -0.02 0.14 -0.16 0.00 0.00 0.00 0.00 60.65 60.60 3ibp s ILE 737 Cb -0.03 -0.10 0.00 0.00 0.01 0.00 0.00 42.46 42.34 3ibp s ILE 737 CO -0.00 0.06 0.38 -0.70 0.00 0.00 0.00 174.94 174.67 3ibp s GLU 738 N 0.73 3.31 0.30 2.79 2.12 -1.24 -0.52 118.70 126.19 3ibp s GLU 738 Ca -0.06 -0.63 -0.19 0.00 0.36 0.00 0.00 54.97 54.45 3ibp s GLU 738 Cb -0.08 -3.89 0.05 0.00 0.26 0.00 0.00 34.13 30.47 3ibp s GLU 738 CO -0.02 -0.68 0.84 0.20 -0.54 0.00 0.00 175.26 175.06 3ibp s GLY 739 N 1.76 0.16 -0.48 -1.50 0.00 -1.24 -4.89 107.32 101.13 3ibp s GLY 739 Ca 0.11 -0.49 -0.19 0.00 0.00 0.00 0.00 44.72 44.15 3ibp s GLY 739 CO 0.12 0.30 0.57 -0.35 0.00 0.00 0.00 173.10 173.74 3ibp s ASP 740 N -3.09 6.22 0.40 1.64 -1.08 -1.26 -3.34 116.67 116.15 3ibp s ASP 740 Ca 0.15 -0.84 0.15 0.00 -0.52 0.00 0.00 52.55 51.49 3ibp s ASP 740 Cb -0.04 -2.27 1.00 0.00 -1.46 0.00 0.00 42.92 40.15 3ibp s ASP 740 CO 0.08 -0.79 1.87 -0.65 0.52 0.00 0.00 175.17 176.20 3ibp h PRO 741 N 8.90 0.47 -0.32 4.34 0.11 -1.97 -0.80 132.00 142.74 3ibp h PRO 741 Ca -0.27 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.75 3ibp h PRO 741 Cb 1.10 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 3ibp h PRO 741 CO 0.91 0.31 -0.02 1.96 -0.21 0.00 0.00 178.00 180.96 3ibp h GLN 742 N 0.49 0.58 -2.55 1.05 1.08 -2.02 -3.35 115.11 110.39 3ibp h GLN 742 Ca 0.45 -0.19 -0.60 0.00 -1.45 0.00 0.00 58.65 56.86 3ibp h GLN 742 Cb 0.99 -0.05 -0.41 0.00 -0.05 0.00 0.00 27.48 27.97 3ibp h GLN 742 CO -0.18 0.73 -0.75 -1.13 -0.95 0.00 0.00 178.83 176.54 3ibp n SER 743 N -4.52 1.91 -4.76 1.46 3.41 -0.86 -5.10 113.62 105.15 3ibp n SER 743 Ca -0.02 -2.98 -0.39 0.00 -0.26 0.00 0.00 58.87 55.22 3ibp n SER 743 Cb 0.28 -0.67 -0.06 0.00 -0.26 0.00 0.00 64.21 63.50 3ibp n SER 743 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3ibp s PHE 744 N -1.28 3.83 -0.31 7.33 2.19 -0.36 -4.52 117.98 124.86 3ibp s PHE 744 Ca 0.32 1.85 -0.09 0.00 0.33 0.00 0.00 56.93 59.34 3ibp s PHE 744 Cb 0.05 -2.97 -0.00 0.00 -1.31 0.00 0.00 43.02 38.79 3ibp s PHE 744 CO -0.13 0.29 0.14 -0.51 1.83 0.00 0.00 175.22 176.84 3ibp s ASP 745 N -1.36 5.45 0.69 6.13 1.01 -1.26 -5.03 116.67 122.30 3ibp s ASP 745 Ca 0.45 -0.60 -0.17 0.00 0.71 0.00 0.00 52.55 52.95 3ibp s ASP 745 Cb -0.23 -1.97 -0.03 0.00 1.01 0.00 0.00 42.92 41.70 3ibp s ASP 745 CO 0.29 -0.21 0.72 0.47 0.21 0.00 0.00 175.17 176.65 3ibp n ASP 746 N 4.95 -0.40 -3.66 0.27 8.00 -1.26 -4.98 116.55 119.47 3ibp n ASP 746 Ca -0.14 0.66 -0.30 0.00 0.71 0.00 0.00 54.79 55.72 3ibp n ASP 746 Cb 0.49 -1.29 0.25 0.00 -0.02 0.00 0.00 41.12 40.54 3ibp n ASP 746 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3ibp s SER 747 N -1.46 0.82 -0.04 -2.24 0.01 -1.26 -5.09 113.70 104.44 3ibp s SER 747 Ca 0.70 0.47 -0.02 0.00 1.31 0.00 0.00 55.95 58.41 3ibp s SER 747 Cb -0.37 -0.60 0.02 0.00 0.21 0.00 0.00 66.02 65.28 3ibp s SER 747 CO 0.53 -4.17 0.09 -0.69 0.41 0.00 0.00 173.24 169.42 3ibp s VAL 748 N -3.12 -0.03 0.15 3.43 1.01 -1.26 -5.17 120.40 115.41 3ibp s VAL 748 Ca 0.73 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.89 3ibp s VAL 748 Cb -0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 3ibp s VAL 748 CO 0.55 0.05 -0.15 -0.36 0.00 0.00 0.00 175.10 175.20 3ibp s PHE 749 N 0.71 1.54 -0.62 5.22 0.08 -1.26 -5.09 117.98 118.56 3ibp s PHE 749 Ca -0.06 -0.56 -0.21 0.00 0.12 0.00 0.00 56.93 56.23 3ibp s PHE 749 Cb -0.08 -0.78 0.08 0.00 -0.57 0.00 0.00 43.02 41.68 3ibp s PHE 749 CO -0.03 0.22 0.84 0.45 -0.10 0.00 0.00 175.22 176.60 3ibp s SER 750 N -2.72 6.19 0.03 1.36 0.15 -1.26 -5.03 113.70 112.42 3ibp s SER 750 Ca 0.14 -1.11 0.04 0.00 0.70 0.00 0.00 55.95 55.72 3ibp s SER 750 Cb -0.04 -2.37 -0.02 0.00 -1.71 0.00 0.00 66.02 61.89 3ibp s SER 750 CO 0.04 -1.27 -0.12 -0.69 1.20 0.00 0.00 173.24 172.40 3ibp s VAL 751 N 3.46 0.97 -0.23 4.45 1.01 -1.26 -1.31 120.40 127.48 3ibp s VAL 751 Ca 0.18 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.26 3ibp s VAL 751 Cb -0.19 -0.89 0.05 0.00 0.00 0.00 0.00 36.38 35.35 3ibp s VAL 751 CO 0.09 -0.02 -0.11 -1.81 0.00 0.00 0.00 175.10 173.24 3ibp s ASP 752 N -1.07 3.93 0.11 3.32 1.01 -0.78 -5.01 116.67 118.19 3ibp s ASP 752 Ca 0.00 -1.14 -0.30 0.00 0.71 0.00 0.00 52.55 51.82 3ibp s ASP 752 Cb -0.07 -1.42 -0.06 0.00 1.01 0.00 0.00 42.92 42.38 3ibp s ASP 752 CO 0.01 -0.16 0.97 -0.70 0.21 0.00 0.00 175.17 175.50 3ibp s GLU 753 N 1.24 4.69 0.28 8.23 2.12 -1.26 -1.93 118.70 132.07 3ibp s GLU 753 Ca -0.05 1.47 0.07 0.00 0.36 0.00 0.00 54.97 56.82 3ibp s GLU 753 Cb -0.18 -3.37 -0.06 0.00 0.26 0.00 0.00 34.13 30.78 3ibp s GLU 753 CO -0.07 0.20 -0.08 -1.17 -0.54 0.00 0.00 175.26 173.61 3ibp s LEU 754 N -0.01 2.52 -0.05 2.70 2.96 -0.72 -4.98 118.68 121.10 3ibp s LEU 754 Ca 0.47 -1.17 -0.30 0.00 -0.22 0.00 0.00 54.13 52.91 3ibp s LEU 754 Cb -0.24 -0.70 -0.06 0.00 0.50 0.00 0.00 46.19 45.69 3ibp s LEU 754 CO 0.30 -0.30 1.72 -0.70 -1.32 0.00 0.00 176.35 176.06 3ibp s GLU 755 N -3.70 4.12 -1.61 1.98 2.12 -1.26 -2.95 118.70 117.41 3ibp s GLU 755 Ca 0.29 2.22 -0.03 0.00 0.36 0.00 0.00 54.97 57.81 3ibp s GLU 755 Cb 0.03 -4.03 0.01 0.00 0.26 0.00 0.00 34.13 30.39 3ibp s GLU 755 CO 0.12 -0.93 0.42 1.63 -0.54 0.00 0.00 175.26 175.95 3ibp n LYS 756 N 7.29 -3.87 -3.61 4.30 5.02 -1.26 -4.91 118.16 121.12 3ibp n LYS 756 Ca 0.18 0.92 0.01 0.00 -2.02 0.00 0.00 58.31 57.39 3ibp n LYS 756 Cb 0.43 -5.72 -0.01 0.00 -0.02 0.00 0.00 35.03 29.71 3ibp n LYS 756 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ibp s ALA 757 N -3.12 -2.24 0.02 7.82 0.00 -1.15 -2.78 121.76 120.30 3ibp s ALA 757 Ca 0.21 0.95 -0.03 0.00 0.00 0.00 0.00 51.96 53.10 3ibp s ALA 757 Cb -0.10 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 3ibp s ALA 757 CO 0.26 -0.95 0.03 0.08 0.00 0.00 0.00 175.76 175.19 3ibp s VAL 758 N -2.36 0.11 -0.32 0.00 1.01 -0.91 -1.75 120.40 116.19 3ibp s VAL 758 Ca 0.13 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.24 3ibp s VAL 758 Cb 0.04 -0.40 0.10 0.00 0.00 0.00 0.00 36.38 36.11 3ibp s VAL 758 CO -0.04 -0.49 0.07 -0.69 0.00 0.00 0.00 175.10 173.95 3ibp s VAL 759 N -1.60 1.45 -0.04 2.92 1.01 -0.81 -2.64 120.40 120.68 3ibp s VAL 759 Ca -0.14 -1.74 -0.18 0.00 0.00 0.00 0.00 61.98 59.92 3ibp s VAL 759 Cb -0.08 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 3ibp s VAL 759 CO -0.01 -0.60 0.49 -0.69 0.00 0.00 0.00 175.10 174.29 3ibp s VAL 760 N 1.33 5.05 -0.70 2.92 1.01 -0.72 -1.87 120.40 127.41 3ibp s VAL 760 Ca 0.09 1.00 -0.27 0.00 0.00 0.00 0.00 61.98 62.80 3ibp s VAL 760 Cb -0.18 -3.82 0.03 0.00 0.00 0.00 0.00 36.38 32.41 3ibp s VAL 760 CO -0.17 0.44 1.28 -0.75 0.00 0.00 0.00 175.10 175.90 3ibp s LYS 761 N -0.18 3.25 0.11 2.72 2.20 -0.43 -1.06 119.74 126.36 3ibp s LYS 761 Ca 0.26 -0.09 -0.01 0.00 -0.36 0.00 0.00 55.97 55.78 3ibp s LYS 761 Cb -0.17 -4.15 -0.18 0.00 -1.51 0.00 0.00 37.83 31.83 3ibp s LYS 761 CO 0.13 -2.05 1.24 -0.84 -0.36 0.00 0.00 175.35 173.47 3ibp h ILE 762 N 6.09 1.52 -2.42 5.43 3.07 -1.76 -3.40 117.51 126.04 3ibp h ILE 762 Ca -0.27 -2.94 -0.03 0.00 1.55 0.00 0.00 64.86 63.18 3ibp h ILE 762 Cb 1.06 2.75 -0.00 0.00 -0.27 0.00 0.00 36.82 40.36 3ibp h ILE 762 CO 1.25 0.86 0.08 0.00 -1.05 0.00 0.00 178.15 179.29 3ibp n ALA 763 N -2.49 -0.57 -1.92 0.16 0.00 -0.98 -5.03 120.51 109.68 3ibp n ALA 763 Ca -0.06 -0.49 -0.42 0.00 0.00 0.00 0.00 53.44 52.47 3ibp n ALA 763 Cb 0.94 0.39 -0.03 0.00 0.00 0.00 0.00 19.45 20.75 3ibp n ALA 763 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ibp s ASP 764 N -1.77 6.59 -0.09 0.00 1.01 -1.26 -2.02 116.67 119.12 3ibp s ASP 764 Ca 0.07 2.33 0.00 0.00 0.71 0.00 0.00 52.55 55.66 3ibp s ASP 764 Cb -0.02 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.38 3ibp s ASP 764 CO 0.05 -0.98 0.00 0.54 0.21 0.00 0.00 175.17 174.99 3ibp n ARG 765 N 7.27 -0.89 -4.54 8.23 1.74 -1.26 -4.97 116.66 122.24 3ibp n ARG 765 Ca 0.18 0.28 -0.23 0.00 -0.77 0.00 0.00 57.85 57.32 3ibp n ARG 765 Cb 0.42 -3.99 -0.16 0.00 -1.02 0.00 0.00 32.46 27.71 3ibp n ARG 765 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3ibp s GLN 766 N -1.09 1.37 0.02 5.56 -0.21 -0.86 -5.13 119.66 119.32 3ibp s GLN 766 Ca 0.00 -0.39 0.01 0.00 0.02 0.00 0.00 55.36 55.00 3ibp s GLN 766 Cb 0.00 -1.20 -0.02 0.00 1.00 0.00 0.00 33.01 32.79 3ibp s GLN 766 CO 0.00 0.10 -0.05 -1.58 -2.12 0.00 0.00 175.29 171.65 3ibp s TRP 767 N 0.36 0.40 -0.09 0.91 0.51 -1.26 -2.21 118.94 117.55 3ibp s TRP 767 Ca -0.07 -0.42 0.01 0.00 -2.12 0.00 0.00 56.10 53.49 3ibp s TRP 767 Cb -0.12 -0.26 -0.02 0.00 -0.81 0.00 0.00 33.47 32.26 3ibp s TRP 767 CO 0.02 -0.12 -0.10 0.50 -0.51 0.00 0.00 176.95 176.74 3ibp s ARG 768 N -1.23 2.93 -0.32 4.98 3.52 -0.23 -4.89 118.95 123.71 3ibp s ARG 768 Ca -0.11 -0.63 -0.04 0.00 -0.13 0.00 0.00 55.73 54.82 3ibp s ARG 768 Cb -0.08 -2.57 0.04 0.00 -1.56 0.00 0.00 34.95 30.78 3ibp s ARG 768 CO -0.00 0.49 0.05 -0.47 -0.81 0.00 0.00 175.30 174.57 3ibp s TYR 769 N -0.37 3.24 -0.20 5.12 6.14 -1.26 -1.76 117.35 128.27 3ibp s TYR 769 Ca 0.04 -1.58 -0.03 0.00 0.64 0.00 0.00 57.07 56.14 3ibp s TYR 769 Cb -0.12 -2.20 -0.01 0.00 0.42 0.00 0.00 41.96 40.05 3ibp s TYR 769 CO 0.02 -0.75 -0.05 -1.12 0.64 0.00 0.00 175.55 174.29 3ibp s SER 770 N 1.35 4.37 0.61 4.32 0.01 -1.08 -4.98 113.70 118.29 3ibp s SER 770 Ca -0.03 -0.34 -0.18 0.00 1.31 0.00 0.00 55.95 56.72 3ibp s SER 770 Cb -0.19 -1.74 -0.03 0.00 0.21 0.00 0.00 66.02 64.28 3ibp s SER 770 CO 0.01 0.03 1.16 -0.13 0.41 0.00 0.00 173.24 174.73 3ibp s ARG 771 N 1.16 2.94 0.19 12.44 0.52 -1.26 -2.13 118.95 132.81 3ibp s ARG 771 Ca 0.02 1.66 -0.31 0.00 -0.52 0.00 0.00 55.73 56.58 3ibp s ARG 771 Cb -0.14 -1.94 -0.11 0.00 0.52 0.00 0.00 34.95 33.28 3ibp s ARG 771 CO -0.01 -1.19 1.59 -0.06 0.02 0.00 0.00 175.30 175.65 3ibp s PHE 772 N -1.85 3.01 0.38 -0.53 0.08 -1.12 -4.50 117.98 113.45 3ibp s PHE 772 Ca 0.73 0.61 -0.11 0.00 0.12 0.00 0.00 56.93 58.28 3ibp s PHE 772 Cb -0.26 -3.97 -0.07 0.00 -0.57 0.00 0.00 43.02 38.15 3ibp s PHE 772 CO 0.35 -3.55 0.75 -2.14 -0.10 0.00 0.00 175.22 170.53 3ibp s PRO 773 N 0.91 3.82 0.08 0.24 0.02 -1.26 -4.96 135.00 133.85 3ibp s PRO 773 Ca 0.70 0.50 -0.22 0.00 0.02 0.00 0.00 61.00 61.99 3ibp s PRO 773 Cb -0.45 -2.41 -0.07 0.00 0.02 0.00 0.00 34.50 31.60 3ibp s PRO 773 CO 0.34 0.01 0.66 -1.83 -0.33 0.00 0.00 177.00 175.85 3ibp s GLU 774 N -3.64 4.37 -0.94 5.54 1.03 -1.26 -4.17 118.70 119.63 3ibp s GLU 774 Ca 0.52 0.90 -0.00 0.00 0.03 0.00 0.00 54.97 56.42 3ibp s GLU 774 Cb -0.10 -3.29 0.00 0.00 -0.80 0.00 0.00 34.13 29.94 3ibp s GLU 774 CO 0.28 0.50 0.78 0.28 -1.33 0.00 0.00 175.26 175.78 3ibp n VAL 775 N 2.08 -4.61 -1.45 1.83 0.31 -1.26 -4.77 118.33 110.46 3ibp n VAL 775 Ca -0.07 -0.38 -0.39 0.00 -0.01 0.00 0.00 64.34 63.49 3ibp n VAL 775 Cb 0.50 -4.42 0.03 0.00 -0.91 0.00 0.00 33.84 29.04 3ibp n VAL 775 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3ibp n PRO 776 N -3.45 0.51 0.03 5.55 -0.02 -1.26 -4.64 135.00 131.72 3ibp n PRO 776 Ca -0.22 0.19 -0.11 0.00 -2.02 0.00 0.00 63.50 61.34 3ibp n PRO 776 Cb 0.63 -1.60 -0.06 0.00 -0.02 0.00 0.00 33.50 32.45 3ibp n PRO 776 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3ibp h LEU 777 N 0.40 -0.13 -9.67 2.45 5.85 -1.88 -3.43 115.31 108.89 3ibp h LEU 777 Ca -0.44 0.03 -0.52 0.00 0.84 0.00 0.00 57.88 57.79 3ibp h LEU 777 Cb 1.40 0.06 0.01 0.00 0.37 0.00 0.00 40.66 42.51 3ibp h LEU 777 CO 0.48 -0.07 0.52 -0.36 -0.34 0.00 0.00 178.44 178.68 3ibp s PHE 778 N -6.18 3.49 0.00 1.25 2.99 -1.26 -4.25 117.98 114.01 3ibp s PHE 778 Ca -0.13 1.50 0.00 0.00 0.00 0.00 0.00 56.93 58.29 3ibp s PHE 778 Cb 0.07 -3.37 0.00 0.00 0.00 0.00 0.00 43.02 39.72 3ibp s PHE 778 CO 0.67 -0.96 0.00 0.41 -0.00 0.00 0.00 175.22 175.33 3ibp n GLY 779 N 2.10 1.45 0.17 4.36 0.00 -0.66 -4.76 105.19 107.85 3ibp n GLY 779 Ca 0.04 -0.29 0.14 0.00 0.00 0.00 0.00 46.02 45.90 3ibp n GLY 779 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ibp h ARG 780 N 0.00 0.00 0.13 1.61 3.08 -1.73 -1.98 114.38 115.50 3ibp h ARG 780 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.71 3ibp h ARG 780 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 3ibp h ARG 780 CO 0.00 0.00 -1.76 0.00 -1.07 0.00 0.00 179.97 177.14 3ibp h ALA 781 N 2.21 0.33 0.00 0.04 0.00 -1.57 0.25 119.26 120.51 3ibp h ALA 781 Ca 0.00 -1.24 -0.12 0.00 0.00 0.00 0.00 54.91 53.55 3ibp h ALA 781 Cb 0.47 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3ibp h ALA 781 CO 0.00 1.19 -0.56 0.00 0.00 0.00 0.00 179.25 179.88 3ibp h ALA 782 N 0.29 0.72 0.18 0.00 0.00 -1.57 -2.90 119.26 115.97 3ibp h ALA 782 Ca -0.34 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.06 3ibp h ALA 782 Cb 2.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.75 3ibp h ALA 782 CO 0.14 0.70 -0.08 -0.09 0.00 0.00 0.00 179.25 179.91 3ibp h ARG 783 N 0.00 -0.23 -0.46 0.00 2.43 -1.35 -1.98 114.38 112.79 3ibp h ARG 783 Ca -0.01 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.28 3ibp h ARG 783 Cb 1.31 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.88 3ibp h ARG 783 CO 0.07 0.18 0.32 0.93 -1.51 0.00 0.00 179.97 179.96 3ibp h GLU 784 N -0.88 0.16 -0.20 0.20 5.08 -0.63 -0.47 114.58 117.83 3ibp h GLU 784 Ca -0.02 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.17 3ibp h GLU 784 Cb 0.51 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3ibp h GLU 784 CO 0.04 0.11 -0.48 1.03 -1.00 0.00 0.00 179.01 178.71 3ibp h SER 785 N 0.16 0.77 -0.43 1.42 0.87 -1.52 -2.47 113.55 112.36 3ibp h SER 785 Ca 0.21 -0.56 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 3ibp h SER 785 Cb 0.64 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.35 3ibp h SER 785 CO -0.03 1.20 0.28 -0.09 -0.53 0.00 0.00 176.83 177.65 3ibp h ARG 786 N 0.39 0.57 -0.56 2.24 2.43 -0.57 -2.95 114.38 115.93 3ibp h ARG 786 Ca -0.00 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.22 3ibp h ARG 786 Cb 1.09 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.48 3ibp h ARG 786 CO 0.10 0.39 0.38 0.82 -1.51 0.00 0.00 179.97 180.15 3ibp h ILE 787 N 0.58 0.90 0.20 1.20 2.04 -0.91 -0.48 117.51 121.04 3ibp h ILE 787 Ca 0.16 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 3ibp h ILE 787 Cb -0.05 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 36.53 3ibp h ILE 787 CO -0.03 0.07 -0.09 -0.33 0.00 0.00 0.00 178.15 177.76 3ibp h GLU 788 N 0.38 -0.25 -0.59 2.37 5.08 -1.37 -2.81 114.58 117.39 3ibp h GLU 788 Ca 0.26 0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.80 3ibp h GLU 788 Cb 0.51 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3ibp h GLU 788 CO -0.07 0.03 0.47 0.77 -1.00 0.00 0.00 179.01 179.22 3ibp h SER 789 N -0.54 0.00 0.57 1.42 0.02 -0.98 0.37 113.55 114.42 3ibp h SER 789 Ca -0.03 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.68 3ibp h SER 789 Cb 0.40 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 3ibp h SER 789 CO 0.04 0.00 -1.07 -0.07 -1.14 0.00 0.00 176.83 174.60 3ibp h LEU 790 N 0.00 0.38 -0.55 5.07 3.38 -1.09 -2.60 115.31 119.91 3ibp h LEU 790 Ca 0.28 -0.36 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 3ibp h LEU 790 Cb 1.21 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3ibp h LEU 790 CO -0.00 1.22 -0.38 0.45 0.09 0.00 0.00 178.44 179.82 3ibp h HIS 791 N 0.12 0.89 0.74 1.13 3.86 -0.70 0.13 115.15 121.32 3ibp h HIS 791 Ca -0.09 -0.26 -0.03 0.00 -1.16 0.00 0.00 60.37 58.83 3ibp h HIS 791 Cb 1.75 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 30.03 3ibp h HIS 791 CO 0.05 1.01 -0.45 0.00 0.86 0.00 0.00 177.93 179.40 3ibp h ALA 792 N 0.95 -1.16 -0.81 2.45 0.00 -1.29 -2.26 119.26 117.14 3ibp h ALA 792 Ca 0.05 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.76 3ibp h ALA 792 Cb 0.93 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 3ibp h ALA 792 CO 0.08 -1.17 0.52 1.49 0.00 0.00 0.00 179.25 180.18 3ibp h GLU 793 N -1.12 1.00 -0.82 0.00 4.81 -1.44 -2.26 114.58 114.76 3ibp h GLU 793 Ca -0.10 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3ibp h GLU 793 Cb 0.90 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.01 3ibp h GLU 793 CO 0.10 0.66 0.50 -0.09 -0.73 0.00 0.00 179.01 179.46 3ibp h ARG 794 N 1.03 1.11 0.00 1.92 2.43 -0.58 0.27 114.38 120.57 3ibp h ARG 794 Ca 0.32 -0.10 -0.12 0.00 -0.81 0.00 0.00 59.98 59.27 3ibp h ARG 794 Cb -0.03 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.27 3ibp h ARG 794 CO -0.10 0.78 -0.59 0.93 -1.51 0.00 0.00 179.97 179.48 3ibp h GLU 795 N 1.13 0.00 -0.36 0.20 4.39 -0.96 -0.58 114.58 118.39 3ibp h GLU 795 Ca 0.30 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.89 3ibp h GLU 795 Cb -0.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 3ibp h GLU 795 CO -0.06 0.59 -0.22 0.28 -1.16 0.00 0.00 179.01 178.44 3ibp h VAL 796 N 0.00 1.27 -0.02 3.13 2.07 -0.84 -2.72 116.25 119.14 3ibp h VAL 796 Ca -0.01 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.20 3ibp h VAL 796 Cb 1.11 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 3ibp h VAL 796 CO 0.08 0.43 -0.01 -0.07 0.02 0.00 0.00 177.57 178.02 3ibp h LEU 797 N 0.62 0.03 -2.55 2.57 3.38 -0.49 -2.10 115.31 116.77 3ibp h LEU 797 Ca 0.09 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 3ibp h LEU 797 Cb 0.71 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 3ibp h LEU 797 CO 0.05 0.44 -0.00 0.77 0.09 0.00 0.00 178.44 179.79 3ibp h SER 798 N -0.37 0.00 0.08 -0.43 4.64 -1.12 0.44 113.55 116.78 3ibp h SER 798 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.21 3ibp h SER 798 Cb 0.43 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.53 3ibp h SER 798 CO 0.00 0.00 -0.53 -0.08 -0.87 0.00 0.00 176.83 175.35 3ibp h GLU 799 N 0.00 0.17 -0.25 4.77 4.81 -1.35 -2.54 114.58 120.20 3ibp h GLU 799 Ca -0.00 -0.29 -0.10 0.00 -0.13 0.00 0.00 59.36 58.84 3ibp h GLU 799 Cb 0.15 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3ibp h GLU 799 CO 0.00 1.14 -0.28 -0.09 -0.73 0.00 0.00 179.01 179.05 3ibp h ARG 800 N -0.63 0.49 -0.54 1.92 2.43 -0.57 -2.64 114.38 114.83 3ibp h ARG 800 Ca -0.10 -0.20 -0.07 0.00 -0.81 0.00 0.00 59.98 58.81 3ibp h ARG 800 Cb 1.39 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.89 3ibp h ARG 800 CO 0.08 0.73 0.08 0.35 -1.51 0.00 0.00 179.97 179.69 3ibp h PHE 801 N 0.43 0.97 0.08 2.20 3.57 -0.24 -0.99 116.94 122.95 3ibp h PHE 801 Ca 0.06 -0.14 0.01 0.00 3.53 0.00 0.00 57.97 61.43 3ibp h PHE 801 Cb 0.71 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 3ibp h PHE 801 CO 0.02 0.87 -0.10 0.00 -2.23 0.00 0.00 178.31 176.87 3ibp h ALA 802 N 0.99 -0.18 -0.68 2.41 0.00 -1.24 -0.37 119.26 120.19 3ibp h ALA 802 Ca 0.16 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3ibp h ALA 802 Cb 0.43 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3ibp h ALA 802 CO 0.01 -0.62 0.43 1.79 0.00 0.00 0.00 179.25 180.86 3ibp h THR 803 N -0.21 1.09 0.07 0.00 1.35 -1.25 -2.33 112.91 111.63 3ibp h THR 803 Ca 0.01 -0.29 -0.00 0.00 -0.55 0.00 0.00 66.41 65.58 3ibp h THR 803 Cb 0.22 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 66.82 3ibp h THR 803 CO -0.05 0.15 -0.03 -0.07 -0.25 0.00 0.00 175.52 175.27 3ibp h LEU 804 N 0.84 -0.08 -1.27 3.87 3.38 -0.92 -1.32 115.31 119.81 3ibp h LEU 804 Ca 0.27 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3ibp h LEU 804 Cb 0.01 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3ibp h LEU 804 CO -0.10 0.14 0.00 0.77 0.09 0.00 0.00 178.44 179.34 3ibp h SER 805 N -0.30 0.47 0.55 -0.43 4.64 -0.92 0.20 113.55 117.76 3ibp h SER 805 Ca -0.01 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.20 3ibp h SER 805 Cb 0.26 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3ibp h SER 805 CO 0.02 0.53 -0.26 -0.26 -0.87 0.00 0.00 176.83 175.98 3ibp h PHE 806 N 0.48 -0.69 -0.98 4.77 0.04 -1.40 -2.08 116.94 117.09 3ibp h PHE 806 Ca 0.11 -0.02 0.32 0.00 2.80 0.00 0.00 57.97 61.18 3ibp h PHE 806 Cb 0.31 0.23 -0.16 0.00 2.20 0.00 0.00 35.95 38.53 3ibp h PHE 806 CO 0.01 -0.36 0.47 0.22 -0.60 0.00 0.00 178.31 178.05 3ibp h ASP 807 N -0.96 0.33 -0.08 2.17 3.58 -0.45 0.82 116.42 121.83 3ibp h ASP 807 Ca -0.08 0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.56 3ibp h ASP 807 Cb 0.63 0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.89 3ibp h ASP 807 CO 0.12 -0.21 -0.06 0.58 -2.88 0.00 0.00 179.24 176.79 3ibp h VAL 808 N 0.22 1.35 -0.77 2.25 2.07 -0.55 -2.05 116.25 118.77 3ibp h VAL 808 Ca 0.72 -1.16 0.09 0.00 0.82 0.00 0.00 66.70 67.16 3ibp h VAL 808 Cb 1.67 1.95 -0.05 0.00 -1.52 0.00 0.00 31.29 33.33 3ibp h VAL 808 CO -0.67 0.33 0.50 1.56 0.02 0.00 0.00 177.57 179.31 3ibp h GLN 809 N -0.22 0.71 -0.08 1.57 4.20 -0.18 0.12 115.11 121.24 3ibp h GLN 809 Ca 0.02 -0.04 -0.20 0.00 0.06 0.00 0.00 58.65 58.48 3ibp h GLN 809 Cb 0.55 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3ibp h GLN 809 CO 0.02 0.47 -0.79 0.87 -0.67 0.00 0.00 178.83 178.73 3ibp h LYS 810 N 0.73 0.50 -0.07 1.46 1.57 -1.07 -2.32 116.57 117.38 3ibp h LYS 810 Ca 0.35 -0.43 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 3ibp h LYS 810 Cb 0.39 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3ibp h LYS 810 CO -0.13 1.07 -0.18 1.15 -0.57 0.00 0.00 179.45 180.79 3ibp h THR 811 N 0.33 1.42 0.00 -0.16 2.02 -0.58 -2.72 112.91 113.23 3ibp h THR 811 Ca -0.05 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.59 3ibp h THR 811 Cb 1.39 2.25 0.00 0.00 -1.74 0.00 0.00 68.15 70.05 3ibp h THR 811 CO 0.14 0.43 0.00 1.56 0.37 0.00 0.00 175.52 178.02 3ibp h GLN 812 N -0.25 0.00 0.01 6.66 4.20 -0.84 0.92 115.11 125.82 3ibp h GLN 812 Ca -0.00 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.49 3ibp h GLN 812 Cb 0.79 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.55 3ibp h GLN 812 CO 0.04 0.00 -1.02 0.00 -0.67 0.00 0.00 178.83 177.18 3ibp h ARG 813 N 0.00 0.03 0.00 1.46 3.08 -1.23 -2.83 114.38 114.89 3ibp h ARG 813 Ca 0.00 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 3ibp h ARG 813 Cb 0.20 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 3ibp h ARG 813 CO 0.00 1.02 -0.67 -0.07 -1.07 0.00 0.00 179.97 179.18 3ibp h LEU 814 N 0.01 0.00 0.79 3.04 3.38 -0.90 -2.75 115.31 118.87 3ibp h LEU 814 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3ibp h LEU 814 Cb 1.78 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.54 3ibp h LEU 814 CO 0.14 0.11 -0.38 -0.74 0.09 0.00 0.00 178.44 177.66 3ibp h HIS 815 N 0.00 -0.98 0.00 1.13 2.76 -0.91 -2.52 115.15 114.63 3ibp h HIS 815 Ca -0.02 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.12 3ibp h HIS 815 Cb 1.10 0.32 -0.00 0.00 1.55 0.00 0.00 27.41 30.38 3ibp h HIS 815 CO 0.00 -0.60 -0.03 1.96 -1.30 0.00 0.00 177.93 177.96 3ibp h GLN 816 N -1.23 0.00 -0.04 5.26 1.08 -1.59 -1.30 115.11 117.28 3ibp h GLN 816 Ca -0.11 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 3ibp h GLN 816 Cb 0.82 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.25 3ibp h GLN 816 CO 0.18 0.03 0.02 0.00 -0.95 0.00 0.00 178.83 178.11 3ibp h ALA 817 N 1.97 0.06 -0.70 3.87 0.00 -1.36 -2.77 119.26 120.33 3ibp h ALA 817 Ca -0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3ibp h ALA 817 Cb 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3ibp h ALA 817 CO 0.00 -0.37 0.24 0.74 0.00 0.00 0.00 179.25 179.86 3ibp h PHE 818 N -0.06 1.11 0.36 0.00 0.05 -0.81 -3.14 116.94 114.45 3ibp h PHE 818 Ca 0.01 -0.10 -0.01 0.00 3.82 0.00 0.00 57.97 61.70 3ibp h PHE 818 Cb 0.14 -0.32 -0.01 0.00 2.00 0.00 0.00 35.95 37.75 3ibp h PHE 818 CO -0.03 0.87 -0.28 0.77 -0.18 0.00 0.00 178.31 179.46 3ibp h SER 819 N 1.02 -0.73 -0.58 2.17 0.02 -1.33 0.27 113.55 114.38 3ibp h SER 819 Ca 0.23 0.06 0.09 0.00 -0.84 0.00 0.00 61.79 61.32 3ibp h SER 819 Cb 0.27 0.24 -0.11 0.00 0.14 0.00 0.00 62.40 62.94 3ibp h SER 819 CO -0.01 -0.42 -0.43 0.03 -1.14 0.00 0.00 176.83 174.85 3ibp h ARG 820 N -0.65 -0.21 -0.75 3.45 3.08 -1.48 0.14 114.38 117.96 3ibp h ARG 820 Ca -0.03 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.06 3ibp h ARG 820 Cb 0.56 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.61 3ibp h ARG 820 CO -0.01 -0.14 0.48 0.35 -1.07 0.00 0.00 179.97 179.58 3ibp h PHE 821 N -0.22 0.89 -0.25 3.04 3.57 -1.46 -2.23 116.94 120.29 3ibp h PHE 821 Ca 0.18 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 3ibp h PHE 821 Cb 0.56 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3ibp h PHE 821 CO -0.71 0.51 0.06 0.82 -2.23 0.00 0.00 178.31 176.77 3ibp h ILE 822 N 0.93 1.21 0.00 1.41 2.04 0.13 0.94 117.51 124.18 3ibp h ILE 822 Ca 0.30 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 3ibp h ILE 822 Cb 0.01 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3ibp h ILE 822 CO -0.11 0.22 -0.21 1.23 0.00 0.00 0.00 178.15 179.28 3ibp h GLY 823 N 0.23 0.00 0.00 5.37 0.00 -0.59 -3.33 103.07 104.75 3ibp h GLY 823 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.31 3ibp h GLY 823 CO 0.00 0.00 -1.33 1.44 0.00 0.00 0.00 176.54 176.65 3ibp n SER 824 N -3.54 0.43 -0.54 0.19 7.64 -0.86 -4.88 113.62 112.06 3ibp n SER 824 Ca -0.01 0.07 0.06 0.00 1.01 0.00 0.00 58.87 60.01 3ibp n SER 824 Cb 0.36 -0.18 0.07 0.00 -1.01 0.00 0.00 64.21 63.45 3ibp n SER 824 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3ibp n HIS 825 N -3.27 0.07 0.01 1.43 8.25 0.25 -4.73 115.22 117.23 3ibp n HIS 825 Ca -0.12 -0.07 -0.16 0.00 -0.26 0.00 0.00 57.72 57.11 3ibp n HIS 825 Cb 0.58 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.63 3ibp n HIS 825 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3ibp h LEU 826 N 2.49 0.83 -0.38 2.41 5.85 -1.47 -2.85 115.31 122.19 3ibp h LEU 826 Ca 0.00 -0.58 0.01 0.00 0.84 0.00 0.00 57.88 58.15 3ibp h LEU 826 Cb 0.56 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3ibp h LEU 826 CO 0.00 1.37 0.24 0.00 -0.34 0.00 0.00 178.44 179.71 3ibp h ALA 827 N 0.60 0.48 -0.35 1.25 0.00 -1.84 -3.28 119.26 116.12 3ibp h ALA 827 Ca -0.07 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 3ibp h ALA 827 Cb 1.47 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3ibp h ALA 827 CO 0.17 -0.08 -0.42 0.28 0.00 0.00 0.00 179.25 179.19 3ibp h VAL 828 N 0.49 1.27 -4.03 0.00 2.07 -1.87 -3.45 116.25 110.74 3ibp h VAL 828 Ca 0.14 -1.60 -0.46 0.00 0.82 0.00 0.00 66.70 65.60 3ibp h VAL 828 Cb -0.04 1.45 0.15 0.00 -1.52 0.00 0.00 31.29 31.33 3ibp h VAL 828 CO -0.04 0.53 0.24 0.00 0.02 0.00 0.00 177.57 178.32 3ibp s ALA 829 N -4.32 1.35 -1.32 1.67 0.00 -1.08 -3.55 121.76 114.51 3ibp s ALA 829 Ca -0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.49 3ibp s ALA 829 Cb 0.11 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.13 3ibp s ALA 829 CO 0.88 -2.54 0.15 1.19 0.00 0.00 0.00 175.76 175.43 3ibp n PHE 830 N -3.97 -1.00 -4.38 0.00 3.01 -1.26 -4.98 117.46 104.88 3ibp n PHE 830 Ca 0.06 0.13 -0.25 0.00 1.01 0.00 0.00 57.45 58.40 3ibp n PHE 830 Cb 0.57 -3.42 -0.09 0.00 -0.01 0.00 0.00 39.48 36.54 3ibp n PHE 830 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3ibp s GLU 831 N -5.00 2.03 0.22 -1.08 2.56 -1.23 -5.04 118.70 111.16 3ibp s GLU 831 Ca 0.07 -1.80 -0.23 0.00 0.00 0.00 0.00 54.97 53.01 3ibp s GLU 831 Cb -0.03 -1.88 -0.08 0.00 2.00 0.00 0.00 34.13 34.13 3ibp s GLU 831 CO 0.09 0.12 0.79 -1.12 -0.56 0.00 0.00 175.26 174.59 3ibp s SER 832 N -3.70 7.25 0.23 -1.70 0.01 -1.26 -4.95 113.70 109.58 3ibp s SER 832 Ca 0.35 1.60 -0.31 0.00 1.31 0.00 0.00 55.95 58.89 3ibp s SER 832 Cb 0.01 -2.49 -0.14 0.00 0.21 0.00 0.00 66.02 63.61 3ibp s SER 832 CO 0.19 0.08 1.27 -0.67 0.41 0.00 0.00 173.24 174.52 3ibp n ASP 833 N 1.04 2.11 -0.05 2.44 2.03 -1.26 -4.88 116.55 117.98 3ibp n ASP 833 Ca -0.03 1.15 -0.08 0.00 0.52 0.00 0.00 54.79 56.35 3ibp n ASP 833 Cb 0.50 -1.34 -0.01 0.00 -0.72 0.00 0.00 41.12 39.54 3ibp n ASP 833 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3ibp h PRO 834 N 3.58 -0.19 -0.76 -0.67 0.11 -1.92 -2.73 132.00 129.42 3ibp h PRO 834 Ca -0.44 0.01 0.22 0.00 0.11 0.00 0.00 66.00 65.90 3ibp h PRO 834 Cb 1.31 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.43 3ibp h PRO 834 CO 0.71 -0.13 0.71 0.93 -0.21 0.00 0.00 178.00 180.02 3ibp h GLU 835 N -0.20 0.00 -0.09 1.05 4.39 -1.90 -0.55 114.58 117.28 3ibp h GLU 835 Ca 0.14 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 3ibp h GLU 835 Cb 0.41 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 3ibp h GLU 835 CO -0.36 0.00 0.04 0.00 -1.16 0.00 0.00 179.01 177.52 3ibp h ALA 836 N 1.28 0.12 0.00 3.43 0.00 -1.85 -2.19 119.26 120.05 3ibp h ALA 836 Ca 0.36 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 3ibp h ALA 836 Cb 1.78 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 3ibp h ALA 836 CO -0.00 -0.30 -0.91 1.49 0.00 0.00 0.00 179.25 179.53 3ibp h GLU 837 N -0.01 0.00 -0.46 0.00 4.81 -1.31 -3.04 114.58 114.57 3ibp h GLU 837 Ca 0.03 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 3ibp h GLU 837 Cb 0.17 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3ibp h GLU 837 CO -0.00 0.45 -0.09 0.82 -0.73 0.00 0.00 179.01 179.46 3ibp h ILE 838 N 0.00 1.26 0.14 2.32 2.04 -1.06 0.16 117.51 122.37 3ibp h ILE 838 Ca -0.07 -1.15 -0.29 0.00 1.00 0.00 0.00 64.86 64.35 3ibp h ILE 838 Cb 1.49 1.00 0.01 0.00 -0.74 0.00 0.00 36.82 38.57 3ibp h ILE 838 CO 0.06 0.40 -1.34 0.03 0.00 0.00 0.00 178.15 177.30 3ibp h ARG 839 N 0.75 0.30 -0.04 2.37 3.08 -1.51 -2.88 114.38 116.45 3ibp h ARG 839 Ca 0.13 -0.52 -0.00 0.00 0.07 0.00 0.00 59.98 59.65 3ibp h ARG 839 Cb 0.58 0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.82 3ibp h ARG 839 CO 0.04 1.23 0.01 0.37 -1.07 0.00 0.00 179.97 180.55 3ibp h GLN 840 N 0.08 0.07 -0.45 0.04 4.15 -1.40 -2.21 115.11 115.39 3ibp h GLN 840 Ca -0.17 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.26 3ibp h GLN 840 Cb 2.01 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 29.67 3ibp h GLN 840 CO 0.21 0.25 0.30 -0.07 -1.93 0.00 0.00 178.83 177.58 3ibp h LEU 841 N -0.13 0.44 -0.39 -2.39 4.07 -0.79 -2.62 115.31 113.50 3ibp h LEU 841 Ca 0.01 -0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.85 3ibp h LEU 841 Cb 0.21 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 3ibp h LEU 841 CO -0.00 0.31 -0.19 0.78 -1.08 0.00 0.00 178.44 178.26 3ibp h ASN 842 N 0.52 0.85 0.36 -0.43 2.35 -1.23 0.15 115.58 118.14 3ibp h ASN 842 Ca 0.18 -0.41 -0.06 0.00 -0.55 0.00 0.00 56.30 55.46 3ibp h ASN 842 Cb 0.07 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 3ibp h ASN 842 CO -0.04 1.07 -0.29 0.77 -1.65 0.00 0.00 177.43 177.28 3ibp h SER 843 N 0.63 0.00 0.26 5.81 4.64 -1.26 -1.31 113.55 122.33 3ibp h SER 843 Ca 0.09 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.20 3ibp h SER 843 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3ibp h SER 843 CO 0.06 0.29 -0.84 -0.09 -0.87 0.00 0.00 176.83 175.38 3ibp h ARG 844 N 0.00 0.44 0.00 4.77 9.65 -1.06 -1.47 114.38 126.71 3ibp h ARG 844 Ca -0.00 -0.41 -0.10 0.00 -1.10 0.00 0.00 59.98 58.37 3ibp h ARG 844 Cb 0.55 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.22 3ibp h ARG 844 CO 0.04 1.06 -0.47 0.07 2.80 0.00 0.00 179.97 183.47 3ibp h ARG 845 N 0.28 0.00 -0.11 0.20 -0.00 -0.44 -1.34 114.38 112.97 3ibp h ARG 845 Ca -0.06 0.00 -0.21 0.00 -0.00 0.00 0.00 59.98 59.71 3ibp h ARG 845 Cb 1.45 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.42 3ibp h ARG 845 CO 0.15 0.47 -0.78 0.28 -0.00 0.00 0.00 179.97 180.08 3ibp h VAL 846 N 0.00 1.33 -0.68 0.08 2.07 -1.20 -1.38 116.25 116.46 3ibp h VAL 846 Ca -0.00 -2.09 -0.06 0.00 0.82 0.00 0.00 66.70 65.37 3ibp h VAL 846 Cb 1.17 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.99 3ibp h VAL 846 CO 0.06 0.64 0.19 -0.08 0.02 0.00 0.00 177.57 178.41 3ibp h GLU 847 N 0.41 1.05 -0.12 1.57 4.81 -1.02 -1.57 114.58 119.72 3ibp h GLU 847 Ca -0.05 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 3ibp h GLU 847 Cb 1.39 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 3ibp h GLU 847 CO 0.15 0.91 0.03 -0.07 -0.73 0.00 0.00 179.01 179.30 3ibp h LEU 848 N 1.01 0.19 -1.59 1.64 3.38 -1.16 -2.65 115.31 116.13 3ibp h LEU 848 Ca 0.22 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3ibp h LEU 848 Cb 0.31 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3ibp h LEU 848 CO -0.00 0.38 0.11 -0.08 0.09 0.00 0.00 178.44 178.93 3ibp h GLU 849 N -0.02 0.38 0.00 1.13 4.81 -1.09 -0.25 114.58 119.54 3ibp h GLU 849 Ca 0.04 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 3ibp h GLU 849 Cb 0.27 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3ibp h GLU 849 CO 0.00 0.32 -0.52 -0.09 -0.73 0.00 0.00 179.01 177.99 3ibp h ARG 850 N 0.38 0.00 0.05 1.92 2.43 -1.16 -1.26 114.38 116.74 3ibp h ARG 850 Ca 0.10 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.03 3ibp h ARG 850 Cb 0.09 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3ibp h ARG 850 CO -0.01 0.52 -1.06 0.00 -1.51 0.00 0.00 179.97 177.91 3ibp h ALA 851 N 1.48 0.30 0.00 2.80 0.00 -0.74 0.26 119.26 123.36 3ibp h ALA 851 Ca -0.01 -0.84 -0.02 0.00 0.00 0.00 0.00 54.91 54.04 3ibp h ALA 851 Cb 0.93 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3ibp h ALA 851 CO 0.07 1.04 -0.11 -0.07 0.00 0.00 0.00 179.25 180.18 3ibp h LEU 852 N 0.06 0.00 0.03 0.00 4.07 -0.98 -3.16 115.31 115.34 3ibp h LEU 852 Ca -0.07 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.84 3ibp h LEU 852 Cb 1.77 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.51 3ibp h LEU 852 CO 0.16 0.11 -0.24 -1.28 -1.08 0.00 0.00 178.44 176.11 3ibp h SER 853 N 0.00 0.09 0.00 -0.43 0.87 -0.90 -3.51 113.55 109.67 3ibp h SER 853 Ca -0.00 -0.96 0.00 0.00 -1.23 0.00 0.00 61.79 59.59 3ibp h SER 853 Cb 0.50 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 3ibp h SER 853 CO 0.01 1.11 0.00 -3.20 -0.53 0.00 0.00 176.83 174.22