#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvb h ALA 579 N 0.00 0.03 -2.67 0.62 0.00 -2.04 -3.47 119.26 111.73 2kvb h ALA 579 Ca 0.00 -0.48 -0.56 0.00 0.00 0.00 0.00 54.91 53.87 2kvb h ALA 579 Cb 0.00 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2kvb h ALA 579 CO 0.00 0.40 -0.50 -1.21 0.00 0.00 0.00 179.25 177.95 2kvb s GLU 580 N -2.11 3.30 0.00 0.00 0.41 -1.26 -5.00 118.70 114.05 2kvb s GLU 580 Ca -0.13 -0.63 0.00 0.00 -0.41 0.00 0.00 54.97 53.79 2kvb s GLU 580 Cb 0.02 -2.90 0.00 0.00 -1.78 0.00 0.00 34.13 29.47 2kvb s GLU 580 CO 0.23 0.53 0.00 0.00 -0.49 0.00 0.00 175.26 175.53 2kvb n ALA 581 N -0.33 1.89 -1.13 5.21 0.00 -1.26 -5.03 120.51 119.85 2kvb n ALA 581 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2kvb n ALA 581 Cb 0.54 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.25 2kvb n ALA 581 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kvb n GLU 582 N -1.91 0.42 -0.74 0.00 1.02 -1.26 -4.38 120.64 113.78 2kvb n GLU 582 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2kvb n GLU 582 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.72 2kvb n GLU 582 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2kvb n PHE 583 N -1.32 0.00 -4.15 -0.32 3.72 -1.26 -4.89 117.46 109.24 2kvb n PHE 583 Ca 0.00 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.24 2kvb n PHE 583 Cb 0.00 -0.33 -0.06 0.00 -0.94 0.00 0.00 39.48 38.15 2kvb n PHE 583 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2kvb s LEU 584 N 0.00 1.23 -0.10 4.37 1.43 -1.26 -5.01 118.68 119.33 2kvb s LEU 584 Ca 0.00 -1.55 -0.00 0.00 -1.03 0.00 0.00 54.13 51.55 2kvb s LEU 584 Cb 0.00 1.14 0.08 0.00 0.03 0.00 0.00 46.19 47.45 2kvb s LEU 584 CO 0.00 -1.20 1.81 -1.20 0.23 0.00 0.00 176.35 175.99 2kvb n SER 585 N -1.36 5.15 -4.49 2.29 7.64 -1.26 -4.79 113.62 116.79 2kvb n SER 585 Ca 0.03 -2.56 -0.35 0.00 1.01 0.00 0.00 58.87 57.00 2kvb n SER 585 Cb 0.62 -0.98 -0.12 0.00 -1.01 0.00 0.00 64.21 62.72 2kvb n SER 585 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2kvb s ARG 586 N -0.62 3.70 -0.16 1.43 3.52 -1.25 -3.74 118.95 121.83 2kvb s ARG 586 Ca 0.11 -0.48 0.01 0.00 -0.13 0.00 0.00 55.73 55.23 2kvb s ARG 586 Cb 0.08 -3.14 0.03 0.00 -1.56 0.00 0.00 34.95 30.37 2kvb s ARG 586 CO 0.00 0.05 -0.14 0.99 -0.81 0.00 0.00 175.30 175.39 2kvb s THR 587 N 0.92 1.66 -0.22 4.11 2.01 0.20 -4.41 115.64 119.91 2kvb s THR 587 Ca 0.02 -0.77 -0.08 0.00 0.31 0.00 0.00 61.69 61.18 2kvb s THR 587 Cb -0.14 -1.59 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 2kvb s THR 587 CO 0.02 0.40 0.08 -0.70 -0.69 0.00 0.00 174.62 173.74 2kvb s GLU 588 N 1.44 3.87 0.00 4.92 2.12 -1.26 0.64 118.70 130.43 2kvb s GLU 588 Ca 0.04 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 54.98 2kvb s GLU 588 Cb -0.14 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 30.94 2kvb s GLU 588 CO -0.10 0.06 0.00 0.41 -0.54 0.00 0.00 175.26 175.08 2kvb n GLY 589 N 4.21 0.60 0.00 -1.50 0.00 -0.11 -4.95 105.19 103.43 2kvb n GLY 589 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2kvb n GLY 589 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kvb n ASP 590 N 0.00 1.67 -4.64 1.61 8.00 -0.01 -4.80 116.55 118.38 2kvb n ASP 590 Ca 0.00 -0.16 -0.43 0.00 0.71 0.00 0.00 54.79 54.92 2kvb n ASP 590 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 2kvb n ASP 590 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kvb s ASN 591 N 0.68 6.46 0.00 -2.24 2.20 -1.26 -3.46 114.94 117.33 2kvb s ASN 591 Ca 0.00 1.86 0.00 0.00 -0.94 0.00 0.00 52.86 53.78 2kvb s ASN 591 Cb 0.00 -2.53 0.00 0.00 -2.00 0.00 0.00 41.25 36.72 2kvb s ASN 591 CO 0.00 -1.15 0.00 0.00 -2.94 0.00 0.00 177.10 173.01 2kvb s THR 593 N -1.94 0.66 -0.09 0.00 -4.23 -1.23 -1.69 115.64 107.13 2kvb s THR 593 Ca 0.00 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 2kvb s THR 593 Cb 0.00 -0.62 0.02 0.00 1.34 0.00 0.00 72.50 73.25 2kvb s THR 593 CO 0.00 -0.03 -0.07 0.54 -0.54 0.00 0.00 174.62 174.52 2kvb s VAL 594 N -0.65 0.92 -0.18 2.29 0.11 0.40 -0.83 120.40 122.48 2kvb s VAL 594 Ca -0.01 -0.26 -0.01 0.00 -2.93 0.00 0.00 61.98 58.76 2kvb s VAL 594 Cb -0.06 -0.93 -0.00 0.00 -1.53 0.00 0.00 36.38 33.86 2kvb s VAL 594 CO 0.00 0.34 -0.12 0.12 -3.33 0.00 0.00 175.10 172.11 2kvb s PHE 595 N 1.43 2.85 -0.12 1.54 5.36 -1.26 0.34 117.98 128.11 2kvb s PHE 595 Ca -0.01 -1.10 -0.03 0.00 -0.96 0.00 0.00 56.93 54.83 2kvb s PHE 595 Cb -0.13 -1.97 -0.03 0.00 -0.34 0.00 0.00 43.02 40.55 2kvb s PHE 595 CO -0.04 -0.55 -0.01 0.16 -1.46 0.00 0.00 175.22 173.32 2kvb s ASP 596 N 1.10 5.05 0.45 6.13 -4.77 -1.06 -4.72 116.67 118.85 2kvb s ASP 596 Ca 0.00 0.01 0.24 0.00 -3.30 0.00 0.00 52.55 49.50 2kvb s ASP 596 Cb -0.14 -1.63 0.96 0.00 -1.09 0.00 0.00 42.92 41.02 2kvb s ASP 596 CO -0.04 0.27 1.85 0.77 0.70 0.00 0.00 175.17 178.72 2kvb h SER 597 N 6.00 0.00 0.11 2.11 4.64 -1.96 -1.20 113.55 123.24 2kvb h SER 597 Ca -0.41 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.75 2kvb h SER 597 Cb 1.19 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.29 2kvb h SER 597 CO 0.60 0.22 -0.71 0.06 -0.87 0.00 0.00 176.83 176.13 2kvb h GLN 598 N 0.00 0.30 0.00 4.77 3.07 -1.97 -3.33 115.11 117.95 2kvb h GLN 598 Ca -0.00 -0.46 -0.04 0.00 0.09 0.00 0.00 58.65 58.24 2kvb h GLN 598 Cb 0.71 0.16 -0.01 0.00 0.08 0.00 0.00 27.48 28.43 2kvb h GLN 598 CO 0.03 1.20 -1.33 0.00 0.09 0.00 0.00 178.83 178.81 2kvb n ALA 599 N -2.65 2.45 -2.34 0.06 0.00 -1.25 -4.96 120.51 111.83 2kvb n ALA 599 Ca -0.13 -0.38 -0.09 0.00 0.00 0.00 0.00 53.44 52.84 2kvb n ALA 599 Cb 0.77 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.24 2kvb n ALA 599 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kvb n GLY 600 N 1.25 0.06 3.14 0.00 0.00 -0.46 -5.02 105.19 104.16 2kvb n GLY 600 Ca -0.04 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 2kvb n GLY 600 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kvb s PHE 601 N -2.60 1.84 -0.19 1.61 0.08 -1.21 -4.94 117.98 112.58 2kvb s PHE 601 Ca 0.05 -0.58 -0.09 0.00 0.12 0.00 0.00 56.93 56.43 2kvb s PHE 601 Cb -0.02 -1.25 -0.05 0.00 -0.57 0.00 0.00 43.02 41.13 2kvb s PHE 601 CO 0.07 -0.22 0.10 -1.54 -0.10 0.00 0.00 175.22 173.53 2kvb s SER 602 N 0.15 5.96 -0.13 1.36 1.04 -1.26 -2.55 113.70 118.28 2kvb s SER 602 Ca -0.07 0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.55 2kvb s SER 602 Cb -0.13 -2.03 0.02 0.00 0.10 0.00 0.00 66.02 63.98 2kvb s SER 602 CO 0.03 0.19 -0.13 -0.36 0.98 0.00 0.00 173.24 173.96 2kvb s PHE 603 N 0.26 1.97 -0.29 5.02 0.08 0.15 -4.97 117.98 120.21 2kvb s PHE 603 Ca 0.06 -1.03 -0.08 0.00 0.12 0.00 0.00 56.93 56.01 2kvb s PHE 603 Cb -0.12 -1.47 -0.01 0.00 -0.57 0.00 0.00 43.02 40.86 2kvb s PHE 603 CO -0.01 -0.57 0.10 0.16 -0.10 0.00 0.00 175.22 174.80 2kvb s ASP 604 N 1.35 5.29 -0.09 1.36 -4.77 -1.26 -0.45 116.67 118.09 2kvb s ASP 604 Ca 0.01 -0.47 0.16 0.00 -3.30 0.00 0.00 52.55 48.95 2kvb s ASP 604 Cb -0.13 -1.94 0.59 0.00 -1.09 0.00 0.00 42.92 40.34 2kvb s ASP 604 CO -0.07 -0.14 1.50 0.18 0.70 0.00 0.00 175.17 177.34 2kvb n LEU 605 N 4.93 4.16 -0.21 2.11 7.99 -0.68 -4.61 117.00 130.69 2kvb n LEU 605 Ca -0.15 -2.43 -0.04 0.00 -0.01 0.00 0.00 56.01 53.38 2kvb n LEU 605 Cb 0.50 -0.49 0.07 0.00 -0.11 0.00 0.00 43.42 43.38 2kvb n LEU 605 CO 0.32 0.78 1.10 0.74 -1.51 0.00 0.00 177.39 178.82 2kvb h THR 606 N 3.21 1.04 0.00 -5.08 2.02 -1.91 -2.03 112.91 110.16 2kvb h THR 606 Ca 0.00 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 2kvb h THR 606 Cb 1.27 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2kvb h THR 606 CO 0.17 0.13 -0.00 -0.65 0.37 0.00 0.00 175.52 175.54 2kvb h PRO 607 N 0.72 0.00 0.00 6.66 0.11 -1.94 -2.08 132.00 135.46 2kvb h PRO 607 Ca 0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.37 2kvb h PRO 607 Cb 0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.18 2kvb h PRO 607 CO -0.12 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.95 2kvb n LEU 608 N -3.10 0.50 -4.63 2.35 7.99 -0.77 -4.72 117.00 114.61 2kvb n LEU 608 Ca -0.01 0.55 -0.43 0.00 -0.01 0.00 0.00 56.01 56.11 2kvb n LEU 608 Cb 0.19 -0.40 -0.02 0.00 -0.11 0.00 0.00 43.42 43.08 2kvb n LEU 608 CO 0.24 -0.14 1.19 -0.89 -1.51 0.00 0.00 177.39 176.28 2kvb s THR 609 N -3.07 4.04 -0.02 -5.08 2.01 -0.78 -4.55 115.64 108.19 2kvb s THR 609 Ca 0.11 1.19 0.00 0.00 0.31 0.00 0.00 61.69 63.30 2kvb s THR 609 Cb 0.14 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 2kvb s THR 609 CO 0.55 -0.38 0.03 -0.54 -0.69 0.00 0.00 174.62 173.59 2kvb s LYS 610 N 4.21 2.93 0.24 4.92 1.02 -1.26 -4.99 119.74 126.81 2kvb s LYS 610 Ca 0.60 -0.52 0.05 0.00 0.02 0.00 0.00 55.97 56.12 2kvb s LYS 610 Cb -0.19 -2.77 0.28 0.00 -0.52 0.00 0.00 37.83 34.62 2kvb s LYS 610 CO 0.24 0.65 1.58 0.87 -0.92 0.00 0.00 175.35 177.76 2kvb h LYS 611 N 4.42 0.23 0.00 1.68 6.56 -1.94 -2.89 116.57 124.63 2kvb h LYS 611 Ca -0.49 -0.15 0.00 0.00 -1.06 0.00 0.00 60.65 58.94 2kvb h LYS 611 Cb 1.18 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 2kvb h LYS 611 CO 0.58 0.75 -0.14 -0.44 -2.06 0.00 0.00 179.45 178.15 2kvb h ASP 612 N 0.18 0.00 -2.95 0.86 3.32 -1.95 -3.40 116.42 112.49 2kvb h ASP 612 Ca -0.00 -0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.21 2kvb h ASP 612 Cb 1.07 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.58 2kvb h ASP 612 CO 0.09 0.00 -0.21 0.00 -1.72 0.00 0.00 179.24 177.40 2kvb n ALA 613 N -2.10 -1.53 -2.56 3.45 0.00 -1.09 -4.76 120.51 111.92 2kvb n ALA 613 Ca 0.03 0.19 -0.33 0.00 0.00 0.00 0.00 53.44 53.34 2kvb n ALA 613 Cb 0.53 -0.53 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 2kvb n ALA 613 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2kvb s TYR 614 N -1.12 2.67 -0.13 0.00 1.51 -0.12 -4.92 117.35 115.24 2kvb s TYR 614 Ca 0.00 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 55.79 2kvb s TYR 614 Cb 0.00 -1.64 -0.01 0.00 -0.11 0.00 0.00 41.96 40.20 2kvb s TYR 614 CO 0.00 0.09 -0.15 0.21 -1.11 0.00 0.00 175.55 174.59 2kvb s LYS 615 N -0.54 3.29 -0.13 -0.62 2.20 -1.26 -0.89 119.74 121.79 2kvb s LYS 615 Ca 0.07 -0.73 -0.06 0.00 -0.36 0.00 0.00 55.97 54.90 2kvb s LYS 615 Cb -0.11 -2.59 -0.04 0.00 -1.51 0.00 0.00 37.83 33.58 2kvb s LYS 615 CO 0.01 0.15 0.08 0.08 -0.36 0.00 0.00 175.35 175.31 2kvb s VAL 616 N 0.49 5.01 0.02 4.02 1.01 0.16 -4.92 120.40 126.19 2kvb s VAL 616 Ca -0.10 0.03 0.08 0.00 0.00 0.00 0.00 61.98 61.98 2kvb s VAL 616 Cb -0.16 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 2kvb s VAL 616 CO 0.05 0.57 -0.23 -1.61 0.00 0.00 0.00 175.10 173.88 2kvb s GLU 617 N -0.60 2.03 0.00 2.72 2.02 -1.26 0.19 118.70 123.81 2kvb s GLU 617 Ca 0.11 -0.98 0.00 0.00 0.02 0.00 0.00 54.97 54.12 2kvb s GLU 617 Cb -0.12 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.02 2kvb s GLU 617 CO 0.02 0.55 0.00 0.25 0.02 0.00 0.00 175.26 176.10 2kvb n THR 618 N 1.97 0.00 -0.04 3.63 -2.24 0.32 -4.94 114.28 112.98 2kvb n THR 618 Ca -0.17 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 2kvb n THR 618 Cb 0.52 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.67 2kvb n THR 618 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2kvb h ASP 619 N 0.00 0.23 0.00 3.42 3.58 -2.04 -3.38 116.42 118.22 2kvb h ASP 619 Ca 0.00 -0.47 0.00 0.00 0.42 0.00 0.00 57.03 56.98 2kvb h ASP 619 Cb 0.00 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 40.99 2kvb h ASP 619 CO 0.00 0.65 0.00 0.29 -2.88 0.00 0.00 179.24 177.30 2kvb n LYS 620 N -4.69 -0.14 -4.29 0.28 5.02 -1.26 -4.97 118.16 108.11 2kvb n LYS 620 Ca -0.07 -0.34 -0.22 0.00 -2.02 0.00 0.00 58.31 55.67 2kvb n LYS 620 Cb 0.31 -0.82 -0.12 0.00 -0.02 0.00 0.00 35.03 34.38 2kvb n LYS 620 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2kvb s TYR 621 N -0.08 1.71 -0.01 2.13 1.51 -1.26 -0.65 117.35 120.70 2kvb s TYR 621 Ca 0.00 -0.46 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 2kvb s TYR 621 Cb 0.00 -0.89 0.00 0.00 -0.11 0.00 0.00 41.96 40.96 2kvb s TYR 621 CO 0.00 0.25 -0.07 -1.83 -1.11 0.00 0.00 175.55 172.79 2kvb s GLU 622 N -2.43 0.66 -0.16 -0.62 -1.05 -0.41 -0.52 118.70 114.17 2kvb s GLU 622 Ca 0.11 -0.23 -0.01 0.00 -0.15 0.00 0.00 54.97 54.69 2kvb s GLU 622 Cb -0.07 -0.64 -0.01 0.00 -0.44 0.00 0.00 34.13 32.97 2kvb s GLU 622 CO 0.05 0.11 -0.13 -0.06 0.95 0.00 0.00 175.26 176.18 2kvb s PHE 623 N 0.07 2.83 -0.21 4.83 0.40 0.13 -1.09 117.98 124.94 2kvb s PHE 623 Ca -0.01 -0.89 -0.06 0.00 -0.60 0.00 0.00 56.93 55.37 2kvb s PHE 623 Cb -0.06 -1.91 -0.03 0.00 0.51 0.00 0.00 43.02 41.53 2kvb s PHE 623 CO -0.00 -0.40 0.03 -1.01 0.70 0.00 0.00 175.22 174.54 2kvb s HIS 624 N 0.77 3.08 0.04 0.36 3.76 0.09 0.36 115.29 123.76 2kvb s HIS 624 Ca -0.05 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 2kvb s HIS 624 Cb -0.15 -2.12 -0.03 0.00 1.11 0.00 0.00 32.58 31.39 2kvb s HIS 624 CO 0.01 -0.21 -0.04 0.96 -0.85 0.00 0.00 174.74 174.61 2kvb s ILE 625 N 1.05 0.27 0.10 0.60 -4.36 -0.07 -0.55 121.20 118.24 2kvb s ILE 625 Ca 0.03 -1.42 0.04 0.00 -0.26 0.00 0.00 60.65 59.04 2kvb s ILE 625 Cb -0.14 -0.99 -0.04 0.00 1.25 0.00 0.00 42.46 42.54 2kvb s ILE 625 CO 0.02 -0.74 -0.11 0.21 0.24 0.00 0.00 174.94 174.56 2kvb s ASN 626 N -2.27 1.63 -0.46 4.36 2.47 -0.92 -0.94 114.94 118.80 2kvb s ASN 626 Ca -0.02 -0.81 -0.29 0.00 0.42 0.00 0.00 52.86 52.16 2kvb s ASN 626 Cb -0.01 -0.02 0.03 0.00 -1.45 0.00 0.00 41.25 39.80 2kvb s ASN 626 CO -0.05 -0.22 1.11 -0.69 -3.72 0.00 0.00 177.10 173.53 2kvb s VAL 627 N -2.34 4.27 0.53 -5.21 1.01 -1.26 -4.77 120.40 112.62 2kvb s VAL 627 Ca 0.06 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.28 2kvb s VAL 627 Cb -0.04 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 31.78 2kvb s VAL 627 CO 0.01 -0.93 0.00 0.00 0.00 0.00 0.00 175.10 174.18 2kvb n GLY 629 N -2.05 0.28 4.00 0.00 0.00 0.14 -4.84 105.19 102.72 2kvb n GLY 629 Ca 0.00 -0.95 -0.19 0.00 0.00 0.00 0.00 46.02 44.88 2kvb n GLY 629 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kvb s PRO 630 N 0.00 2.58 -0.19 1.61 0.05 -1.26 -2.49 135.00 135.31 2kvb s PRO 630 Ca 0.00 -1.13 -0.08 0.00 0.05 0.00 0.00 61.00 59.84 2kvb s PRO 630 Cb 0.00 -2.62 -0.04 0.00 0.05 0.00 0.00 34.50 31.88 2kvb s PRO 630 CO 0.00 -0.58 0.08 0.54 0.05 0.00 0.00 177.00 177.09 2kvb s VAL 631 N -2.59 4.91 -1.07 -0.36 0.11 0.81 -4.64 120.40 117.57 2kvb s VAL 631 Ca 0.57 0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 59.54 2kvb s VAL 631 Cb -0.09 -3.22 0.27 0.00 -1.53 0.00 0.00 36.38 31.80 2kvb s VAL 631 CO 0.36 0.46 1.07 -0.55 -3.33 0.00 0.00 175.10 173.11 2kvb s SER 632 N 0.38 7.24 -0.01 3.54 0.15 -1.26 -4.45 113.70 119.28 2kvb s SER 632 Ca 0.04 -3.45 0.04 0.00 0.70 0.00 0.00 55.95 53.29 2kvb s SER 632 Cb -0.12 -2.22 -0.01 0.00 -1.71 0.00 0.00 66.02 61.96 2kvb s SER 632 CO -0.00 -0.34 -0.14 0.54 1.20 0.00 0.00 173.24 174.49 2kvb s VAL 633 N -0.98 1.14 0.00 4.45 0.11 -1.26 -4.25 120.40 119.61 2kvb s VAL 633 Ca 0.29 -0.61 -0.04 0.00 -2.93 0.00 0.00 61.98 58.68 2kvb s VAL 633 Cb -0.10 -0.95 -0.20 0.00 -1.53 0.00 0.00 36.38 33.60 2kvb s VAL 633 CO -0.08 0.32 3.06 0.61 -3.33 0.00 0.00 175.10 175.68 2kvb n GLY 634 N 2.75 2.74 0.53 6.54 0.00 -1.26 -2.79 105.19 113.69 2kvb n GLY 634 Ca -0.14 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2kvb n GLY 634 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvb n ALA 635 N 2.33 2.27 -2.60 4.61 0.00 -1.26 -5.10 120.51 120.76 2kvb n ALA 635 Ca 0.31 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.54 2kvb n ALA 635 Cb 0.77 0.02 -0.13 0.00 0.00 0.00 0.00 19.45 20.10 2kvb n ALA 635 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kvb n PRO 637 N 1.83 1.44 0.04 0.00 -0.04 -1.26 -4.42 135.00 132.59 2kvb n PRO 637 Ca -0.18 0.54 0.03 0.00 -0.04 0.00 0.00 63.50 63.86 2kvb n PRO 637 Cb 0.54 -2.56 0.17 0.00 -0.04 0.00 0.00 33.50 31.61 2kvb n PRO 637 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2kvb n PRO 638 N -1.39 0.04 0.15 0.54 -0.02 -1.26 -1.57 135.00 131.49 2kvb n PRO 638 Ca 0.13 0.53 0.13 0.00 -2.02 0.00 0.00 63.50 62.27 2kvb n PRO 638 Cb 0.46 -1.63 0.51 0.00 -0.02 0.00 0.00 33.50 32.83 2kvb n PRO 638 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2kvb h ASP 639 N 0.00 0.00 -2.81 2.55 3.04 -1.90 -3.42 116.42 113.89 2kvb h ASP 639 Ca 0.00 0.00 -0.64 0.00 -3.24 0.00 0.00 57.03 53.15 2kvb h ASP 639 Cb 0.01 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.25 2kvb h ASP 639 CO 0.00 0.00 -0.49 -0.55 -2.04 0.00 0.00 179.24 176.16 2kvb s SER 640 N -4.44 6.38 -0.07 4.15 0.15 -0.61 -0.43 113.70 118.83 2kvb s SER 640 Ca 0.04 0.36 0.15 0.00 0.70 0.00 0.00 55.95 57.20 2kvb s SER 640 Cb 0.09 -2.01 -0.22 0.00 -1.71 0.00 0.00 66.02 62.17 2kvb s SER 640 CO 0.42 0.27 0.23 0.61 1.20 0.00 0.00 173.24 175.96 2kvb n GLY 641 N 0.98 -0.72 2.78 9.45 0.00 0.23 -0.14 105.19 117.77 2kvb n GLY 641 Ca -0.11 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 2kvb n GLY 641 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvb s ALA 642 N -2.80 -0.01 -0.04 4.61 0.00 -1.07 -2.18 121.76 120.28 2kvb s ALA 642 Ca -0.06 0.42 -0.02 0.00 0.00 0.00 0.00 51.96 52.29 2kvb s ALA 642 Cb 0.08 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.53 2kvb s ALA 642 CO 0.64 -0.48 0.09 0.00 0.00 0.00 0.00 175.76 176.00 2kvb s GLN 644 N 0.52 2.83 -0.04 0.00 -2.07 -0.40 -0.73 119.66 119.78 2kvb s GLN 644 Ca -0.04 -0.63 0.02 0.00 -1.82 0.00 0.00 55.36 52.89 2kvb s GLN 644 Cb -0.06 -2.70 0.01 0.00 -1.09 0.00 0.00 33.01 29.17 2kvb s GLN 644 CO -0.02 0.61 -0.08 0.54 -1.32 0.00 0.00 175.29 175.02 2kvb s VAL 645 N -1.19 0.73 -0.20 3.63 0.11 -0.25 -0.13 120.40 123.10 2kvb s VAL 645 Ca 0.23 -0.29 -0.29 0.00 -2.93 0.00 0.00 61.98 58.69 2kvb s VAL 645 Cb -0.12 -0.68 0.00 0.00 -1.53 0.00 0.00 36.38 34.05 2kvb s VAL 645 CO 0.14 0.25 1.12 -0.94 -3.33 0.00 0.00 175.10 172.34 2kvb s SER 646 N 0.47 7.05 0.40 3.54 1.04 0.68 -1.29 113.70 125.58 2kvb s SER 646 Ca -0.07 1.50 0.28 0.00 0.48 0.00 0.00 55.95 58.14 2kvb s SER 646 Cb -0.11 -2.54 1.13 0.00 0.10 0.00 0.00 66.02 64.60 2kvb s SER 646 CO 0.01 -0.70 1.84 0.08 0.98 0.00 0.00 173.24 175.45 2kvb h ARG 647 N 7.71 0.00 0.00 4.02 0.11 -1.20 0.26 114.38 125.28 2kvb h ARG 647 Ca -0.22 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.85 2kvb h ARG 647 Cb 1.08 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.16 2kvb h ARG 647 CO 0.97 0.00 -0.05 1.03 0.10 0.00 0.00 179.97 182.02 2kvb h SER 648 N 0.00 0.00 0.00 0.08 0.87 -1.86 -3.41 113.55 109.23 2kvb h SER 648 Ca 0.00 -0.96 -0.02 0.00 -1.23 0.00 0.00 61.79 59.58 2kvb h SER 648 Cb 0.48 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2kvb h SER 648 CO 0.00 1.01 -1.71 -0.67 -0.53 0.00 0.00 176.83 174.93 2kvb n ASP 649 N -4.61 1.54 -1.79 6.23 -0.08 -1.19 -5.01 116.55 111.64 2kvb n ASP 649 Ca -0.11 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.08 2kvb n ASP 649 Cb 0.48 1.64 0.03 0.00 2.34 0.00 0.00 41.12 45.61 2kvb n ASP 649 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2kvb n ARG 650 N -2.06 -3.02 -4.05 -0.67 5.12 0.89 -5.02 116.66 107.85 2kvb n ARG 650 Ca -0.04 0.33 -0.33 0.00 -1.93 0.00 0.00 57.85 55.88 2kvb n ARG 650 Cb 0.43 -3.84 -0.07 0.00 -1.16 0.00 0.00 32.46 27.82 2kvb n ARG 650 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2kvb s LYS 651 N -5.25 3.17 0.04 5.56 -0.14 -1.25 -4.87 119.74 117.00 2kvb s LYS 651 Ca 0.17 -0.42 0.06 0.00 -1.36 0.00 0.00 55.97 54.42 2kvb s LYS 651 Cb -0.07 -2.93 -0.02 0.00 -1.68 0.00 0.00 37.83 33.12 2kvb s LYS 651 CO 0.29 0.67 -0.19 -1.12 -0.76 0.00 0.00 175.35 174.24 2kvb s SER 652 N -1.69 2.21 0.05 2.83 0.01 -1.26 -0.23 113.70 115.62 2kvb s SER 652 Ca 0.23 -0.50 0.05 0.00 1.31 0.00 0.00 55.95 57.04 2kvb s SER 652 Cb -0.12 -0.17 -0.03 0.00 0.21 0.00 0.00 66.02 65.91 2kvb s SER 652 CO 0.14 0.12 -0.15 0.26 0.41 0.00 0.00 173.24 174.02 2kvb s TRP 653 N -0.81 1.29 -0.19 2.43 0.51 0.82 -4.97 118.94 118.02 2kvb s TRP 653 Ca 0.06 -0.40 -0.17 0.00 -2.12 0.00 0.00 56.10 53.47 2kvb s TRP 653 Cb -0.08 -0.75 -0.04 0.00 -0.81 0.00 0.00 33.47 31.79 2kvb s TRP 653 CO 0.02 0.06 0.43 1.21 -0.51 0.00 0.00 176.95 178.15 2kvb s ASN 654 N -1.40 6.50 0.00 2.95 3.84 -1.26 -1.27 114.94 124.30 2kvb s ASN 654 Ca 0.01 0.59 0.13 0.00 0.21 0.00 0.00 52.86 53.80 2kvb s ASN 654 Cb -0.09 -2.25 0.32 0.00 -0.55 0.00 0.00 41.25 38.68 2kvb s ASN 654 CO 0.02 -0.08 1.23 0.18 -2.79 0.00 0.00 177.10 175.66 2kvb n LEU 655 N 4.39 2.93 0.00 3.21 4.77 -0.09 -2.69 117.00 129.52 2kvb n LEU 655 Ca -0.08 -1.77 0.00 0.00 -0.03 0.00 0.00 56.01 54.14 2kvb n LEU 655 Cb 0.51 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2kvb n LEU 655 CO 0.41 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 2kvb n GLY 656 N 0.77 3.33 3.78 -0.72 0.00 -1.16 -1.41 105.19 109.79 2kvb n GLY 656 Ca 0.13 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 2kvb n GLY 656 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kvb s ARG 657 N -1.36 1.33 0.02 1.61 1.04 -1.25 -0.60 118.95 119.73 2kvb s ARG 657 Ca 0.00 0.39 -0.33 0.00 -1.04 0.00 0.00 55.73 54.75 2kvb s ARG 657 Cb 0.00 -1.85 -0.12 0.00 -2.04 0.00 0.00 34.95 30.94 2kvb s ARG 657 CO 0.00 -2.09 1.81 -1.13 -0.04 0.00 0.00 175.30 173.84 2kvb n SER 658 N -3.71 3.50 -3.69 -2.89 3.41 0.43 -4.03 113.62 106.64 2kvb n SER 658 Ca 0.07 1.00 -0.14 0.00 -0.26 0.00 0.00 58.87 59.53 2kvb n SER 658 Cb 0.58 -1.42 -0.08 0.00 -0.26 0.00 0.00 64.21 63.03 2kvb n SER 658 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2kvb s ASN 659 N 3.10 -0.42 -0.01 4.04 2.47 -1.04 -4.89 114.94 118.20 2kvb s ASN 659 Ca 0.87 0.59 0.02 0.00 0.42 0.00 0.00 52.86 54.76 2kvb s ASN 659 Cb -0.64 0.64 0.03 0.00 -1.45 0.00 0.00 41.25 39.83 2kvb s ASN 659 CO 0.45 -0.36 0.88 0.00 -3.72 0.00 0.00 177.10 174.36 2kvb n ALA 660 N 1.87 1.76 -2.57 1.71 0.00 -1.26 0.29 120.51 122.31 2kvb n ALA 660 Ca -0.17 -1.01 -0.43 0.00 0.00 0.00 0.00 53.44 51.82 2kvb n ALA 660 Cb 0.56 -0.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 2kvb n ALA 660 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2kvb s LYS 661 N -0.87 4.11 -0.01 0.00 -0.14 -1.26 -0.04 119.74 121.54 2kvb s LYS 661 Ca 0.03 1.28 -0.16 0.00 -1.36 0.00 0.00 55.97 55.76 2kvb s LYS 661 Cb 0.02 -3.75 -0.06 0.00 -1.68 0.00 0.00 37.83 32.37 2kvb s LYS 661 CO 0.00 -0.84 0.43 -0.51 -0.76 0.00 0.00 175.35 173.67 2kvb s LEU 662 N 3.65 4.45 -0.06 3.17 1.43 -1.22 -4.13 118.68 125.97 2kvb s LEU 662 Ca 0.49 0.97 0.03 0.00 -1.03 0.00 0.00 54.13 54.59 2kvb s LEU 662 Cb -0.15 -2.62 -0.02 0.00 0.03 0.00 0.00 46.19 43.42 2kvb s LEU 662 CO 0.14 0.28 -0.14 -0.44 0.23 0.00 0.00 176.35 176.42 2kvb s SER 663 N -0.86 4.00 -0.14 2.29 0.01 0.11 -0.94 113.70 118.17 2kvb s SER 663 Ca 0.24 -0.22 -0.01 0.00 1.31 0.00 0.00 55.95 57.28 2kvb s SER 663 Cb -0.17 -0.93 -0.01 0.00 0.21 0.00 0.00 66.02 65.12 2kvb s SER 663 CO 0.13 0.32 -0.12 -0.47 0.41 0.00 0.00 173.24 173.52 2kvb s TYR 664 N -0.59 2.84 -0.01 2.43 6.14 0.21 0.48 117.35 128.84 2kvb s TYR 664 Ca 0.09 -0.69 0.07 0.00 0.64 0.00 0.00 57.07 57.18 2kvb s TYR 664 Cb -0.11 -1.89 -0.02 0.00 0.42 0.00 0.00 41.96 40.36 2kvb s TYR 664 CO 0.01 -0.26 -0.22 0.71 0.64 0.00 0.00 175.55 176.43 2kvb s TYR 665 N 0.51 2.44 -0.13 4.97 2.02 -0.50 -0.63 117.35 126.04 2kvb s TYR 665 Ca -0.08 -0.35 -0.34 0.00 -0.37 0.00 0.00 57.07 55.93 2kvb s TYR 665 Cb -0.16 -1.51 -0.11 0.00 -0.40 0.00 0.00 41.96 39.78 2kvb s TYR 665 CO 0.04 0.07 1.93 -3.47 -1.57 0.00 0.00 175.55 172.55 2kvb n ASP 666 N 2.22 3.31 0.00 2.29 -0.08 -1.25 -0.73 116.55 122.32 2kvb n ASP 666 Ca -0.16 0.88 0.00 0.00 -1.51 0.00 0.00 54.79 54.00 2kvb n ASP 666 Cb 0.52 -1.37 0.00 0.00 2.34 0.00 0.00 41.12 42.61 2kvb n ASP 666 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kvb n GLY 667 N 4.67 2.70 3.44 0.27 0.00 -1.26 -5.03 105.19 109.99 2kvb n GLY 667 Ca 0.25 -0.68 -0.14 0.00 0.00 0.00 0.00 46.02 45.45 2kvb n GLY 667 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2kvb s MET 668 N 0.00 0.70 0.05 1.61 0.23 0.09 -4.67 119.30 117.31 2kvb s MET 668 Ca 0.00 0.61 -0.19 0.00 -1.03 0.00 0.00 55.69 55.08 2kvb s MET 668 Cb 0.00 0.33 -0.06 0.00 -1.53 0.00 0.00 34.83 33.57 2kvb s MET 668 CO 0.00 -0.12 0.56 0.42 -2.03 0.00 0.00 175.02 173.85 2kvb s ILE 669 N -0.04 4.80 0.04 3.16 1.09 -1.21 -1.41 121.20 127.64 2kvb s ILE 669 Ca -0.03 1.19 0.06 0.00 -1.10 0.00 0.00 60.65 60.78 2kvb s ILE 669 Cb -0.04 -3.89 -0.02 0.00 -1.06 0.00 0.00 42.46 37.45 2kvb s ILE 669 CO 0.02 0.52 -0.18 -1.10 -0.10 0.00 0.00 174.94 174.11 2kvb s GLN 670 N -0.88 1.20 -0.11 2.79 -0.21 0.18 0.13 119.66 122.76 2kvb s GLN 670 Ca 0.29 -0.86 0.03 0.00 0.02 0.00 0.00 55.36 54.85 2kvb s GLN 670 Cb -0.19 -1.27 -0.00 0.00 1.00 0.00 0.00 33.01 32.55 2kvb s GLN 670 CO 0.18 0.32 -0.22 -1.17 -2.12 0.00 0.00 175.29 172.28 2kvb s LEU 671 N -1.14 2.20 -0.18 2.90 0.20 0.36 0.07 118.68 123.09 2kvb s LEU 671 Ca 0.05 -0.52 -0.01 0.00 0.69 0.00 0.00 54.13 54.34 2kvb s LEU 671 Cb -0.08 -1.45 0.00 0.00 -0.43 0.00 0.00 46.19 44.23 2kvb s LEU 671 CO 0.01 0.15 -0.13 -0.89 -0.29 0.00 0.00 176.35 175.21 2kvb s THR 672 N 0.39 2.74 0.53 3.68 2.01 -1.26 -0.76 115.64 122.96 2kvb s THR 672 Ca -0.17 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.14 2kvb s THR 672 Cb -0.17 -2.19 0.03 0.00 0.01 0.00 0.00 72.50 70.18 2kvb s THR 672 CO 0.07 0.49 0.73 -0.31 -0.69 0.00 0.00 174.62 174.92 2kvb s TYR 673 N 1.16 2.74 0.92 4.92 2.02 0.16 -4.85 117.35 124.42 2kvb s TYR 673 Ca 0.01 -0.15 -0.12 0.00 -0.37 0.00 0.00 57.07 56.44 2kvb s TYR 673 Cb -0.14 -2.65 0.19 0.00 -0.40 0.00 0.00 41.96 38.96 2kvb s TYR 673 CO -0.05 -0.80 1.26 1.03 -1.57 0.00 0.00 175.55 175.41 2kvb s ARG 674 N -4.67 0.78 0.36 -0.62 1.81 -1.26 -4.10 118.95 111.25 2kvb s ARG 674 Ca 0.57 -0.65 0.11 0.00 -1.72 0.00 0.00 55.73 54.04 2kvb s ARG 674 Cb -0.10 -1.96 0.87 0.00 -0.45 0.00 0.00 34.95 33.32 2kvb s ARG 674 CO 0.37 -2.25 1.83 0.38 -0.68 0.00 0.00 175.30 174.95 2kvb h ASP 675 N -1.42 0.63 0.00 0.23 2.03 -1.91 -3.30 116.42 112.68 2kvb h ASP 675 Ca -0.42 0.06 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 2kvb h ASP 675 Cb 1.23 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 2kvb h ASP 675 CO 0.36 0.26 0.00 0.61 -1.03 0.00 0.00 179.24 179.44 2kvb n GLY 676 N -1.42 0.58 2.97 7.15 0.00 -1.26 -1.58 105.19 111.64 2kvb n GLY 676 Ca 0.20 0.62 -0.24 0.00 0.00 0.00 0.00 46.02 46.60 2kvb n GLY 676 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kvb s THR 677 N 0.00 0.99 0.61 2.61 2.01 -1.10 -4.94 115.64 115.83 2kvb s THR 677 Ca 0.00 -0.36 -0.16 0.00 0.31 0.00 0.00 61.69 61.48 2kvb s THR 677 Cb 0.00 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 2kvb s THR 677 CO 0.00 0.33 1.07 -2.16 -0.69 0.00 0.00 174.62 173.18 2kvb s PRO 678 N 0.99 3.19 1.25 4.92 0.04 -1.26 -2.63 135.00 141.50 2kvb s PRO 678 Ca -0.09 1.27 -0.15 0.00 0.04 0.00 0.00 61.00 62.07 2kvb s PRO 678 Cb -0.15 -2.01 0.32 0.00 0.04 0.00 0.00 34.50 32.70 2kvb s PRO 678 CO 0.00 -0.92 0.99 0.71 0.04 0.00 0.00 177.00 177.82 2kvb s TYR 679 N -2.39 0.83 -0.48 0.56 1.51 0.91 -4.88 117.35 113.42 2kvb s TYR 679 Ca 0.65 1.01 0.00 0.00 -1.01 0.00 0.00 57.07 57.72 2kvb s TYR 679 Cb -0.17 -3.03 0.42 0.00 -0.11 0.00 0.00 41.96 39.06 2kvb s TYR 679 CO 0.37 -4.25 1.93 0.09 -1.11 0.00 0.00 175.55 172.59 2kvb n ASN 680 N -5.17 6.01 -4.91 2.29 3.02 -1.26 -4.40 115.26 110.83 2kvb n ASN 680 Ca 0.05 -3.44 -0.28 0.00 -0.03 0.00 0.00 54.58 50.87 2kvb n ASN 680 Cb 0.56 -0.93 -0.03 0.00 -0.61 0.00 0.00 39.78 38.76 2kvb n ASN 680 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2kvb s ASN 681 N -0.99 6.43 0.60 6.41 4.22 -1.26 -4.96 114.94 125.38 2kvb s ASN 681 Ca 0.50 0.56 0.32 0.00 -2.14 0.00 0.00 52.86 52.09 2kvb s ASN 681 Cb 0.40 -2.08 1.91 0.00 1.28 0.00 0.00 41.25 42.77 2kvb s ASN 681 CO 0.02 -0.09 2.27 -0.33 -2.04 0.00 0.00 177.10 176.94 2kvb h GLU 682 N 1.98 0.00 0.00 3.55 5.08 -2.03 0.42 114.58 123.58 2kvb h GLU 682 Ca -0.48 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.73 2kvb h GLU 682 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2kvb h GLU 682 CO 0.68 0.00 -0.75 -0.22 -1.00 0.00 0.00 179.01 177.72 2kvb h LYS 683 N 0.00 0.00 -5.17 2.33 3.64 -1.95 -3.49 116.57 111.93 2kvb h LYS 683 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kvb h LYS 683 Cb 0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2kvb h LYS 683 CO -0.00 0.75 -0.42 -2.13 -2.27 0.00 0.00 179.45 175.38 2kvb n ARG 684 N -3.50 -2.16 -4.20 1.90 3.00 0.14 -5.02 116.66 106.82 2kvb n ARG 684 Ca -0.00 1.98 -0.34 0.00 -0.00 0.00 0.00 57.85 59.49 2kvb n ARG 684 Cb 0.76 -5.48 -0.14 0.00 0.00 0.00 0.00 32.46 27.61 2kvb n ARG 684 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2kvb s THR 685 N -2.58 3.46 0.43 5.15 2.01 -1.26 -4.91 115.64 117.94 2kvb s THR 685 Ca 0.21 -0.48 -0.26 0.00 0.31 0.00 0.00 61.69 61.47 2kvb s THR 685 Cb -0.06 -2.54 -0.08 0.00 0.01 0.00 0.00 72.50 69.83 2kvb s THR 685 CO 0.73 0.46 1.36 -2.16 -0.69 0.00 0.00 174.62 174.32 2kvb s PRO 686 N 0.98 3.81 -0.08 4.92 0.04 -1.26 -0.06 135.00 143.35 2kvb s PRO 686 Ca -0.00 2.28 -0.13 0.00 0.04 0.00 0.00 61.00 63.19 2kvb s PRO 686 Cb -0.15 -2.69 -0.05 0.00 0.04 0.00 0.00 34.50 31.65 2kvb s PRO 686 CO 0.00 -0.66 0.32 1.03 0.04 0.00 0.00 177.00 177.73 2kvb s ARG 687 N -2.36 3.94 0.17 4.56 0.52 -0.61 -4.84 118.95 120.33 2kvb s ARG 687 Ca 0.59 0.20 0.06 0.00 -0.52 0.00 0.00 55.73 56.07 2kvb s ARG 687 Cb -0.41 -3.29 -0.04 0.00 0.52 0.00 0.00 34.95 31.73 2kvb s ARG 687 CO 0.52 0.55 -0.13 0.00 0.02 0.00 0.00 175.30 176.27 2kvb s ALA 688 N -0.52 1.72 -0.05 2.13 0.00 -1.15 -3.88 121.76 120.02 2kvb s ALA 688 Ca 0.20 -1.55 0.05 0.00 0.00 0.00 0.00 51.96 50.66 2kvb s ALA 688 Cb -0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 2kvb s ALA 688 CO 0.08 0.00 -0.22 0.99 0.00 0.00 0.00 175.76 176.62 2kvb s THR 689 N -3.02 1.80 -0.19 0.00 2.01 -0.50 0.25 115.64 115.98 2kvb s THR 689 Ca 0.19 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.27 2kvb s THR 689 Cb 0.00 -1.53 0.04 0.00 0.01 0.00 0.00 72.50 71.02 2kvb s THR 689 CO 0.04 0.51 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.14 2kvb s LEU 690 N -0.05 2.26 -0.28 4.42 1.98 0.15 -0.66 118.68 126.49 2kvb s LEU 690 Ca -0.04 -0.85 -0.10 0.00 -2.89 0.00 0.00 54.13 50.25 2kvb s LEU 690 Cb -0.13 -1.26 -0.03 0.00 0.66 0.00 0.00 46.19 45.43 2kvb s LEU 690 CO 0.03 -0.13 0.14 -0.63 -1.89 0.00 0.00 176.35 173.88 2kvb s ILE 691 N 1.38 4.78 -0.28 6.68 1.01 0.06 -0.88 121.20 133.96 2kvb s ILE 691 Ca -0.01 -0.13 -0.10 0.00 0.00 0.00 0.00 60.65 60.41 2kvb s ILE 691 Cb -0.16 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 2kvb s ILE 691 CO -0.09 0.21 0.16 -0.89 0.00 0.00 0.00 174.94 174.34 2kvb s THR 692 N 1.67 5.03 -0.22 2.92 2.01 0.11 -0.49 115.64 126.67 2kvb s THR 692 Ca 0.06 0.02 -0.14 0.00 0.31 0.00 0.00 61.69 61.94 2kvb s THR 692 Cb -0.16 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 2kvb s THR 692 CO 0.07 0.24 0.31 -0.36 -0.69 0.00 0.00 174.62 174.19 2kvb s PHE 693 N 1.71 3.35 0.06 4.92 0.40 0.12 0.26 117.98 128.80 2kvb s PHE 693 Ca 0.07 0.47 0.06 0.00 -0.60 0.00 0.00 56.93 56.92 2kvb s PHE 693 Cb -0.16 -2.44 -0.04 0.00 0.51 0.00 0.00 43.02 40.89 2kvb s PHE 693 CO 0.09 0.00 -0.10 -0.51 0.70 0.00 0.00 175.22 175.40 2kvb s LEU 694 N 1.27 3.03 -0.38 -0.37 2.01 0.16 -3.28 118.68 121.12 2kvb s LEU 694 Ca 0.15 -0.31 -0.20 0.00 0.01 0.00 0.00 54.13 53.78 2kvb s LEU 694 Cb -0.14 -1.80 0.01 0.00 0.01 0.00 0.00 46.19 44.27 2kvb s LEU 694 CO 0.07 0.22 0.59 0.00 1.01 0.00 0.00 176.35 178.24 2kvb s ASP 696 N 1.85 1.70 0.38 0.00 2.15 -1.25 -4.97 116.67 116.54 2kvb s ASP 696 Ca 0.21 -0.46 0.08 0.00 0.43 0.00 0.00 52.55 52.81 2kvb s ASP 696 Cb -0.15 -0.11 0.76 0.00 -0.30 0.00 0.00 42.92 43.12 2kvb s ASP 696 CO 0.16 0.04 1.93 0.03 -0.17 0.00 0.00 175.17 177.16 2kvb h ARG 697 N 4.95 0.36 -4.72 4.34 3.08 -1.96 -3.39 114.38 117.04 2kvb h ARG 697 Ca -0.38 -0.07 -0.69 0.00 0.07 0.00 0.00 59.98 58.91 2kvb h ARG 697 Cb 1.18 -0.06 -0.31 0.00 0.08 0.00 0.00 29.97 30.86 2kvb h ARG 697 CO 0.44 0.41 -0.66 -0.51 -1.07 0.00 0.00 179.97 178.58 2kvb s ASP 698 N -6.82 5.06 0.01 7.04 1.11 -1.26 -5.01 116.67 116.79 2kvb s ASP 698 Ca -0.06 -1.27 -0.02 0.00 0.18 0.00 0.00 52.55 51.37 2kvb s ASP 698 Cb 0.16 -1.77 0.01 0.00 1.07 0.00 0.00 42.92 42.38 2kvb s ASP 698 CO 0.74 -0.30 0.10 0.00 1.18 0.00 0.00 175.17 176.89 2kvb n ALA 699 N 4.69 -0.28 -2.00 5.23 0.00 -1.26 -4.95 120.51 121.93 2kvb n ALA 699 Ca -0.12 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2kvb n ALA 699 Cb 0.44 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2kvb n ALA 699 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kvb n GLY 700 N -0.07 1.79 0.19 0.00 0.00 -1.26 -4.84 105.19 101.01 2kvb n GLY 700 Ca 0.00 0.20 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 2kvb n GLY 700 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2kvb h VAL 701 N 0.00 1.26 0.00 1.61 -1.51 -2.00 -3.28 116.25 112.33 2kvb h VAL 701 Ca 0.00 -0.99 0.00 0.00 -1.23 0.00 0.00 66.70 64.48 2kvb h VAL 701 Cb 0.00 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 2kvb h VAL 701 CO 0.00 0.32 0.00 0.61 -1.23 0.00 0.00 177.57 177.27 2kvb n GLY 702 N -0.31 2.56 3.06 5.19 0.00 -1.24 -4.60 105.19 109.85 2kvb n GLY 702 Ca -0.02 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 2kvb n GLY 702 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kvb s PHE 703 N -1.02 2.30 0.39 1.61 0.08 -1.26 -4.88 117.98 115.20 2kvb s PHE 703 Ca 0.00 -1.26 -0.26 0.00 0.12 0.00 0.00 56.93 55.53 2kvb s PHE 703 Cb 0.00 -1.65 -0.09 0.00 -0.57 0.00 0.00 43.02 40.72 2kvb s PHE 703 CO 0.00 -0.66 1.22 -1.25 -0.10 0.00 0.00 175.22 174.43 2kvb s PRO 704 N 1.29 4.07 -0.08 0.24 0.04 -1.26 -4.16 135.00 135.14 2kvb s PRO 704 Ca 0.02 1.97 0.05 0.00 0.04 0.00 0.00 61.00 63.08 2kvb s PRO 704 Cb -0.13 -2.75 -0.00 0.00 0.04 0.00 0.00 34.50 31.65 2kvb s PRO 704 CO -0.09 -0.35 -0.24 -2.00 0.04 0.00 0.00 177.00 174.36 2kvb s GLU 705 N -2.20 2.86 -0.12 4.56 2.56 0.97 -4.76 118.70 122.56 2kvb s GLU 705 Ca 0.56 -0.89 -0.29 0.00 0.00 0.00 0.00 54.97 54.35 2kvb s GLU 705 Cb -0.34 -2.25 -0.02 0.00 2.00 0.00 0.00 34.13 33.52 2kvb s GLU 705 CO 0.43 0.26 1.26 -0.47 -0.56 0.00 0.00 175.26 176.18 2kvb s TYR 706 N 0.14 2.93 0.00 5.30 5.04 -1.26 0.53 117.35 130.04 2kvb s TYR 706 Ca -0.13 1.04 0.00 0.00 -2.44 0.00 0.00 57.07 55.54 2kvb s TYR 706 Cb -0.16 -3.49 0.00 0.00 0.35 0.00 0.00 41.96 38.65 2kvb s TYR 706 CO 0.07 -1.66 0.00 1.04 -1.34 0.00 0.00 175.55 173.66 2kvb n GLN 707 N 6.13 0.00 -3.64 4.97 1.13 0.22 -4.92 117.38 121.27 2kvb n GLN 707 Ca 0.13 0.01 -0.05 0.00 -1.94 0.00 0.00 57.00 55.14 2kvb n GLN 707 Cb 0.45 -0.30 -0.07 0.00 0.11 0.00 0.00 30.24 30.43 2kvb n GLN 707 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2kvb s GLU 708 N -0.03 0.51 -0.10 -1.09 -1.05 -1.24 -5.02 118.70 110.69 2kvb s GLU 708 Ca 0.00 0.82 -0.24 0.00 -0.15 0.00 0.00 54.97 55.40 2kvb s GLU 708 Cb 0.00 0.14 -0.03 0.00 -0.44 0.00 0.00 34.13 33.80 2kvb s GLU 708 CO 0.00 -0.10 0.76 -2.00 0.95 0.00 0.00 175.26 174.87 2kvb s GLU 709 N 1.20 4.39 0.00 -4.83 -6.30 -1.26 -3.27 118.70 108.63 2kvb s GLU 709 Ca -0.07 0.95 0.00 0.00 -2.50 0.00 0.00 54.97 53.35 2kvb s GLU 709 Cb -0.04 -3.49 0.00 0.00 0.00 0.00 0.00 34.13 30.59 2kvb s GLU 709 CO -0.14 -0.08 0.00 -3.47 0.02 0.00 0.00 175.26 171.59 2kvb n ASP 710 N 4.29 0.00 -1.82 -1.70 -0.08 -1.25 -4.92 116.55 111.07 2kvb n ASP 710 Ca 0.01 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.18 2kvb n ASP 710 Cb 0.50 0.00 0.23 0.00 2.34 0.00 0.00 41.12 44.20 2kvb n ASP 710 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 2kvb n ASN 711 N -0.86 3.82 0.00 1.67 0.23 -1.26 -4.87 115.26 113.99 2kvb n ASN 711 Ca 0.00 -3.49 0.00 0.00 -0.53 0.00 0.00 54.58 50.56 2kvb n ASN 711 Cb 0.00 -0.74 0.00 0.00 -2.08 0.00 0.00 39.78 36.96 2kvb n ASN 711 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2kvb n SER 712 N -0.79 -0.20 -4.09 0.53 3.41 -1.26 -4.94 113.62 106.28 2kvb n SER 712 Ca 0.45 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.82 2kvb n SER 712 Cb 1.39 -1.23 -0.16 0.00 -0.26 0.00 0.00 64.21 63.95 2kvb n SER 712 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2kvb s THR 713 N -2.52 1.19 -0.22 6.66 2.01 -1.26 -2.92 115.64 118.59 2kvb s THR 713 Ca 0.00 -0.60 -0.24 0.00 0.31 0.00 0.00 61.69 61.17 2kvb s THR 713 Cb 0.00 -1.03 -0.01 0.00 0.01 0.00 0.00 72.50 71.47 2kvb s THR 713 CO 0.00 0.35 0.78 -0.31 -0.69 0.00 0.00 174.62 174.75 2kvb s TYR 714 N 0.02 3.35 -0.18 4.92 1.51 0.14 -3.97 117.35 123.14 2kvb s TYR 714 Ca -0.02 1.11 -0.09 0.00 -1.01 0.00 0.00 57.07 57.06 2kvb s TYR 714 Cb -0.10 -2.98 -0.05 0.00 -0.11 0.00 0.00 41.96 38.72 2kvb s TYR 714 CO 0.01 -0.32 0.12 -0.80 -1.11 0.00 0.00 175.55 173.45 2kvb s ASN 715 N 1.29 6.11 -0.04 2.29 -0.87 -1.20 0.29 114.94 122.81 2kvb s ASN 715 Ca 0.34 0.25 0.07 0.00 -1.57 0.00 0.00 52.86 51.95 2kvb s ASN 715 Cb -0.16 -2.05 -0.01 0.00 -0.02 0.00 0.00 41.25 39.01 2kvb s ASN 715 CO 0.09 0.23 -0.25 -0.36 -2.57 0.00 0.00 177.10 174.24 2kvb s PHE 716 N 0.06 2.31 -0.28 2.20 0.40 -0.06 -0.61 117.98 122.00 2kvb s PHE 716 Ca 0.09 -0.57 -0.09 0.00 -0.60 0.00 0.00 56.93 55.76 2kvb s PHE 716 Cb -0.11 -1.51 -0.02 0.00 0.51 0.00 0.00 43.02 41.89 2kvb s PHE 716 CO -0.00 -0.13 0.12 0.50 0.70 0.00 0.00 175.22 176.41 2kvb s ARG 717 N -0.36 3.54 -0.12 0.44 3.52 0.19 0.09 118.95 126.25 2kvb s ARG 717 Ca 0.03 -0.57 -0.03 0.00 -0.13 0.00 0.00 55.73 55.02 2kvb s ARG 717 Cb -0.12 -3.48 -0.03 0.00 -1.56 0.00 0.00 34.95 29.76 2kvb s ARG 717 CO 0.01 -0.30 0.01 -0.46 -0.81 0.00 0.00 175.30 173.75 2kvb s TRP 718 N 1.63 3.16 -0.36 5.12 -0.11 0.14 -0.02 118.94 128.49 2kvb s TRP 718 Ca 0.06 0.07 -0.05 0.00 1.22 0.00 0.00 56.10 57.40 2kvb s TRP 718 Cb -0.16 -1.88 0.07 0.00 -1.50 0.00 0.00 33.47 30.00 2kvb s TRP 718 CO 0.06 0.31 0.13 0.71 -4.62 0.00 0.00 176.95 173.55 2kvb s TYR 719 N -0.41 3.37 -0.00 5.86 2.02 -1.26 0.37 117.35 127.31 2kvb s TYR 719 Ca 0.08 -1.87 0.01 0.00 -0.37 0.00 0.00 57.07 54.92 2kvb s TYR 719 Cb -0.12 -2.65 -0.00 0.00 -0.40 0.00 0.00 41.96 38.79 2kvb s TYR 719 CO 0.02 -0.85 -0.02 -0.08 -1.57 0.00 0.00 175.55 173.05 2kvb s THR 720 N 1.29 0.18 0.14 -0.71 -1.32 0.06 -3.64 115.64 111.64 2kvb s THR 720 Ca 0.01 -0.14 0.25 0.00 -1.21 0.00 0.00 61.69 60.60 2kvb s THR 720 Cb -0.21 -0.17 0.26 0.00 -1.51 0.00 0.00 72.50 70.87 2kvb s THR 720 CO -0.01 0.02 1.86 0.77 -2.21 0.00 0.00 174.62 175.06 2kvb h SER 721 N 6.01 0.00 0.62 8.08 4.64 -1.76 -2.98 113.55 128.16 2kvb h SER 721 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 2kvb h SER 721 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2kvb h SER 721 CO 0.50 0.19 0.00 -1.22 -0.87 0.00 0.00 176.83 175.43 2kvb n TYR 722 N -3.36 0.24 0.24 4.77 4.02 -1.26 -1.51 117.16 120.30 2kvb n TYR 722 Ca 0.00 0.09 0.09 0.00 -0.01 0.00 0.00 57.90 58.07 2kvb n TYR 722 Cb 0.40 -0.65 0.25 0.00 -0.02 0.00 0.00 39.34 39.32 2kvb n TYR 722 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2kvb n ALA 723 N -1.58 2.41 -2.98 -0.72 0.00 -1.12 -4.80 120.51 111.72 2kvb n ALA 723 Ca 0.03 -0.97 -0.34 0.00 0.00 0.00 0.00 53.44 52.16 2kvb n ALA 723 Cb 0.20 -0.96 -0.12 0.00 0.00 0.00 0.00 19.45 18.58 2kvb n ALA 723 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50