#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvb n ALA 579 N 0.00 -0.42 -1.11 4.31 0.00 -1.26 -4.40 120.51 117.63 2kvb n ALA 579 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.68 2kvb n ALA 579 Cb 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 17.54 2kvb n ALA 579 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2kvb n GLU 580 N -2.49 -3.15 -2.55 0.00 2.13 -1.26 -4.73 120.64 108.59 2kvb n GLU 580 Ca -0.20 2.31 -0.41 0.00 0.66 0.00 0.00 57.16 59.52 2kvb n GLU 580 Cb 0.63 -2.58 -0.02 0.00 0.27 0.00 0.00 31.44 29.74 2kvb n GLU 580 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kvb s ALA 581 N -2.37 2.95 -0.12 4.31 0.00 -1.26 -4.94 121.76 120.33 2kvb s ALA 581 Ca 0.00 -2.54 -0.29 0.00 0.00 0.00 0.00 51.96 49.13 2kvb s ALA 581 Cb 0.00 -4.59 -0.03 0.00 0.00 0.00 0.00 23.12 18.51 2kvb s ALA 581 CO 0.00 -3.53 1.32 -1.21 0.00 0.00 0.00 175.76 172.34 2kvb s GLU 582 N 4.71 4.25 -0.10 0.00 2.02 -1.26 -4.15 118.70 124.17 2kvb s GLU 582 Ca 0.50 1.76 -0.07 0.00 0.02 0.00 0.00 54.97 57.19 2kvb s GLU 582 Cb 0.02 -3.74 0.03 0.00 0.10 0.00 0.00 34.13 30.53 2kvb s GLU 582 CO -0.01 -0.67 0.13 1.19 0.02 0.00 0.00 175.26 175.92 2kvb n PHE 583 N 6.34 -2.94 -1.86 1.61 3.72 -1.26 -4.79 117.46 118.28 2kvb n PHE 583 Ca 0.14 1.72 -0.26 0.00 -0.05 0.00 0.00 57.45 59.00 2kvb n PHE 583 Cb 0.45 -3.09 -0.05 0.00 -0.94 0.00 0.00 39.48 35.85 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 -0.42 3.12 0.00 4.37 1.02 -1.26 -4.41 118.68 121.11 2kvb s LEU 584 Ca -0.16 -0.13 0.05 0.00 0.02 0.00 0.00 54.13 53.91 2kvb s LEU 584 Cb 0.01 -2.55 0.09 0.00 0.02 0.00 0.00 46.19 43.76 2kvb s LEU 584 CO 0.42 -3.03 0.89 -1.54 0.02 0.00 0.00 176.35 173.11 2kvb n SER 585 N 15.35 0.04 -4.62 2.29 3.41 -1.26 -5.11 113.62 123.71 2kvb n SER 585 Ca 0.39 -1.72 -0.34 0.00 -0.26 0.00 0.00 58.87 56.94 2kvb n SER 585 Cb 0.47 -0.08 -0.11 0.00 -0.26 0.00 0.00 64.21 64.24 2kvb n SER 585 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2kvb s ARG 586 N 0.00 2.84 -0.01 4.33 3.00 -1.26 -3.80 118.95 124.05 2kvb s ARG 586 Ca 0.07 -0.49 0.01 0.00 0.00 0.00 0.00 55.73 55.32 2kvb s ARG 586 Cb 0.08 -2.67 0.00 0.00 0.00 0.00 0.00 34.95 32.36 2kvb s ARG 586 CO -0.03 0.68 -0.03 -0.08 0.00 0.00 0.00 175.30 175.84 2kvb s THR 587 N -0.84 0.24 -0.25 0.02 -1.32 -1.18 -4.96 115.64 107.36 2kvb s THR 587 Ca 0.13 -0.10 -0.06 0.00 -1.21 0.00 0.00 61.69 60.45 2kvb s THR 587 Cb -0.11 -0.23 -0.02 0.00 -1.51 0.00 0.00 72.50 70.63 2kvb s THR 587 CO 0.02 0.09 0.04 -0.70 -2.21 0.00 0.00 174.62 171.86 2kvb s GLU 588 N 0.13 3.53 0.43 7.08 2.12 -1.26 -2.13 118.70 128.60 2kvb s GLU 588 Ca -0.01 -0.55 0.00 0.00 0.36 0.00 0.00 54.97 54.77 2kvb s GLU 588 Cb -0.04 -3.25 -0.01 0.00 0.26 0.00 0.00 34.13 31.10 2kvb s GLU 588 CO -0.00 -0.21 0.64 0.20 -0.54 0.00 0.00 175.26 175.35 2kvb s GLY 589 N 1.57 1.51 0.00 -1.50 0.00 0.25 -4.87 107.32 104.29 2kvb s GLY 589 Ca 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.77 2kvb s GLY 589 CO 0.02 -0.86 0.00 1.22 0.00 0.00 0.00 173.10 173.48 2kvb n ASP 590 N -2.01 0.00 -4.51 1.64 9.92 -0.82 -3.21 116.55 117.56 2kvb n ASP 590 Ca -0.00 -0.21 -0.41 0.00 -0.53 0.00 0.00 54.79 53.64 2kvb n ASP 590 Cb 0.57 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.97 2kvb n ASP 590 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2kvb n ASN 591 N -0.63 1.54 0.00 -2.24 4.13 -1.24 -1.84 115.26 114.98 2kvb n ASN 591 Ca 0.00 -0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.20 2kvb n ASN 591 Cb 0.00 -1.27 0.00 0.00 -1.54 0.00 0.00 39.78 36.97 2kvb n ASN 591 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kvb s THR 593 N -1.69 0.67 -0.12 0.00 -4.23 -0.76 -0.05 115.64 109.46 2kvb s THR 593 Ca 0.00 -0.72 -0.01 0.00 -1.18 0.00 0.00 61.69 59.78 2kvb s THR 593 Cb 0.00 -0.63 0.03 0.00 1.34 0.00 0.00 72.50 73.24 2kvb s THR 593 CO 0.00 -0.07 -0.06 0.54 -0.54 0.00 0.00 174.62 174.49 2kvb s VAL 594 N -0.74 0.99 -0.19 2.29 0.11 0.56 -1.94 120.40 121.47 2kvb s VAL 594 Ca -0.02 -0.33 -0.03 0.00 -2.93 0.00 0.00 61.98 58.67 2kvb s VAL 594 Cb -0.06 -1.05 -0.01 0.00 -1.53 0.00 0.00 36.38 33.72 2kvb s VAL 594 CO 0.00 0.30 -0.06 0.12 -3.33 0.00 0.00 175.10 172.14 2kvb s PHE 595 N 1.72 2.94 -0.24 1.54 5.36 -1.26 -0.83 117.98 127.20 2kvb s PHE 595 Ca 0.04 -0.76 -0.07 0.00 -0.96 0.00 0.00 56.93 55.18 2kvb s PHE 595 Cb -0.13 -2.03 -0.03 0.00 -0.34 0.00 0.00 43.02 40.49 2kvb s PHE 595 CO -0.08 -0.39 0.05 0.34 -1.46 0.00 0.00 175.22 173.68 2kvb s ASP 596 N 1.06 5.02 0.30 6.13 2.15 -1.14 -4.75 116.67 125.45 2kvb s ASP 596 Ca 0.01 -0.22 0.08 0.00 0.43 0.00 0.00 52.55 52.85 2kvb s ASP 596 Cb -0.15 -1.89 0.48 0.00 -0.30 0.00 0.00 42.92 41.07 2kvb s ASP 596 CO -0.00 -0.02 1.71 0.77 -0.17 0.00 0.00 175.17 177.45 2kvb h SER 597 N 8.11 0.16 0.77 -0.34 4.64 -1.93 0.33 113.55 125.29 2kvb h SER 597 Ca -0.38 -0.07 -0.21 0.00 -0.47 0.00 0.00 61.79 60.66 2kvb h SER 597 Cb 1.17 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 2kvb h SER 597 CO 0.59 0.59 -0.95 0.06 -0.87 0.00 0.00 176.83 176.24 2kvb h GLN 598 N 0.13 0.10 0.00 4.77 3.07 -1.95 -3.15 115.11 118.08 2kvb h GLN 598 Ca 0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 58.65 58.59 2kvb h GLN 598 Cb 0.84 0.04 -0.00 0.00 0.08 0.00 0.00 27.48 28.44 2kvb h GLN 598 CO 0.06 0.97 -0.81 0.00 0.09 0.00 0.00 178.83 179.15 2kvb h ALA 599 N 0.97 0.63 -1.44 0.06 0.00 -1.94 -3.47 119.26 114.08 2kvb h ALA 599 Ca -0.04 -0.10 -0.35 0.00 0.00 0.00 0.00 54.91 54.43 2kvb h ALA 599 Cb 1.64 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.36 2kvb h ALA 599 CO 0.14 0.11 -0.36 0.41 0.00 0.00 0.00 179.25 179.55 2kvb n GLY 600 N 1.19 0.91 3.03 0.00 0.00 0.11 -4.97 105.19 105.47 2kvb n GLY 600 Ca -0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 2kvb n GLY 600 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2kvb s PHE 601 N -2.72 0.10 0.08 1.61 5.36 -1.19 -5.01 117.98 116.21 2kvb s PHE 601 Ca 0.00 -0.22 0.05 0.00 -0.96 0.00 0.00 56.93 55.80 2kvb s PHE 601 Cb 0.00 -0.09 -0.04 0.00 -0.34 0.00 0.00 43.02 42.55 2kvb s PHE 601 CO 0.00 -0.21 -0.04 -1.54 -1.46 0.00 0.00 175.22 171.97 2kvb s SER 602 N -1.16 4.77 -0.03 6.13 1.04 -1.26 -2.86 113.70 120.33 2kvb s SER 602 Ca -0.13 -0.24 0.02 0.00 0.48 0.00 0.00 55.95 56.09 2kvb s SER 602 Cb -0.07 -1.07 0.01 0.00 0.10 0.00 0.00 66.02 64.99 2kvb s SER 602 CO 0.00 0.19 -0.07 -0.36 0.98 0.00 0.00 173.24 173.98 2kvb s PHE 603 N -1.23 0.82 -0.19 5.02 0.40 -0.01 -5.00 117.98 117.77 2kvb s PHE 603 Ca 0.23 -0.20 -0.00 0.00 -0.60 0.00 0.00 56.93 56.36 2kvb s PHE 603 Cb -0.11 -0.61 0.02 0.00 0.51 0.00 0.00 43.02 42.82 2kvb s PHE 603 CO 0.15 -0.11 -0.16 0.16 0.70 0.00 0.00 175.22 175.97 2kvb s ASP 604 N 0.34 3.48 -0.20 1.36 -4.77 -1.26 -0.33 116.67 115.30 2kvb s ASP 604 Ca -0.05 -0.63 0.15 0.00 -3.30 0.00 0.00 52.55 48.73 2kvb s ASP 604 Cb -0.09 -1.55 0.68 0.00 -1.09 0.00 0.00 42.92 40.87 2kvb s ASP 604 CO 0.00 -0.02 1.59 0.18 0.70 0.00 0.00 175.17 177.63 2kvb n LEU 605 N 4.65 4.82 0.01 2.11 7.99 0.93 -4.63 117.00 132.88 2kvb n LEU 605 Ca -0.20 -2.91 -0.11 0.00 -0.01 0.00 0.00 56.01 52.79 2kvb n LEU 605 Cb 0.50 -0.61 -0.06 0.00 -0.11 0.00 0.00 43.42 43.15 2kvb n LEU 605 CO 0.26 0.67 0.87 0.74 -1.51 0.00 0.00 177.39 178.43 2kvb h THR 606 N 3.04 0.97 0.00 -5.08 2.02 -1.90 -2.45 112.91 109.51 2kvb h THR 606 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 2kvb h THR 606 Cb 1.68 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 2kvb h THR 606 CO 0.35 0.01 0.00 1.55 0.37 0.00 0.00 175.52 177.79 2kvb h PRO 607 N 0.04 0.00 0.00 6.66 0.13 -1.94 -2.40 132.00 134.49 2kvb h PRO 607 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2kvb h PRO 607 Cb 0.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.16 2kvb h PRO 607 CO -0.04 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.01 2kvb n LEU 608 N -2.99 0.00 -4.74 1.56 7.99 -0.92 -4.79 117.00 113.11 2kvb n LEU 608 Ca -0.02 0.48 -0.41 0.00 -0.01 0.00 0.00 56.01 56.05 2kvb n LEU 608 Cb 0.12 -0.48 -0.03 0.00 -0.11 0.00 0.00 43.42 42.92 2kvb n LEU 608 CO 0.20 -0.13 0.88 -0.89 -1.51 0.00 0.00 177.39 175.95 2kvb s THR 609 N -2.95 3.54 0.00 -5.08 2.01 -0.91 -4.49 115.64 107.77 2kvb s THR 609 Ca 0.11 1.32 0.03 0.00 0.31 0.00 0.00 61.69 63.46 2kvb s THR 609 Cb 0.14 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 2kvb s THR 609 CO 0.38 0.22 -0.09 -0.54 -0.69 0.00 0.00 174.62 173.90 2kvb s LYS 610 N -0.33 0.69 0.12 4.92 1.02 -1.26 -5.00 119.74 119.89 2kvb s LYS 610 Ca 0.52 -0.39 -0.11 0.00 0.02 0.00 0.00 55.97 56.02 2kvb s LYS 610 Cb -0.33 -0.65 -0.10 0.00 -0.52 0.00 0.00 37.83 36.23 2kvb s LYS 610 CO 0.37 0.17 1.36 -0.22 -0.92 0.00 0.00 175.35 176.12 2kvb h LYS 611 N 5.70 0.79 0.00 1.68 1.63 -1.96 -2.85 116.57 121.56 2kvb h LYS 611 Ca -0.31 -0.58 -0.03 0.00 -0.85 0.00 0.00 60.65 58.87 2kvb h LYS 611 Cb 1.18 0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 32.91 2kvb h LYS 611 CO 0.48 1.20 -0.14 0.22 -3.45 0.00 0.00 179.45 177.76 2kvb h ASP 612 N 0.57 0.00 -3.66 4.20 3.58 -1.96 -3.27 116.42 115.88 2kvb h ASP 612 Ca -0.02 0.00 0.19 0.00 0.42 0.00 0.00 57.03 57.61 2kvb h ASP 612 Cb 1.30 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.30 2kvb h ASP 612 CO 0.14 0.14 -0.25 0.00 -2.88 0.00 0.00 179.24 176.39 2kvb n ALA 613 N -2.23 -1.76 -2.84 -0.78 0.00 -1.08 -4.85 120.51 106.96 2kvb n ALA 613 Ca -0.01 0.22 -0.33 0.00 0.00 0.00 0.00 53.44 53.31 2kvb n ALA 613 Cb 0.30 -0.61 -0.13 0.00 0.00 0.00 0.00 19.45 19.02 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 -1.61 2.91 -0.13 0.00 1.51 -0.04 -4.95 117.35 115.04 2kvb s TYR 614 Ca 0.00 -0.30 0.01 0.00 -1.01 0.00 0.00 57.07 55.77 2kvb s TYR 614 Cb 0.00 -1.82 -0.01 0.00 -0.11 0.00 0.00 41.96 40.02 2kvb s TYR 614 CO 0.00 0.03 -0.17 0.21 -1.11 0.00 0.00 175.55 174.51 2kvb s LYS 615 N -0.06 3.24 -0.17 -0.62 2.20 -1.25 -0.81 119.74 122.27 2kvb s LYS 615 Ca -0.00 -0.76 -0.07 0.00 -0.36 0.00 0.00 55.97 54.77 2kvb s LYS 615 Cb -0.14 -2.53 -0.04 0.00 -1.51 0.00 0.00 37.83 33.61 2kvb s LYS 615 CO 0.03 0.16 0.09 0.08 -0.36 0.00 0.00 175.35 175.35 2kvb s VAL 616 N 0.45 5.04 -0.10 4.02 1.01 0.13 -4.89 120.40 126.06 2kvb s VAL 616 Ca -0.12 0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.93 2kvb s VAL 616 Cb -0.16 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 2kvb s VAL 616 CO 0.05 0.50 -0.15 -1.61 0.00 0.00 0.00 175.10 173.90 2kvb s GLU 617 N -0.02 3.01 0.00 2.72 2.02 -1.26 0.15 118.70 125.31 2kvb s GLU 617 Ca 0.08 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.36 2kvb s GLU 617 Cb -0.12 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.61 2kvb s GLU 617 CO 0.00 0.37 0.00 0.25 0.02 0.00 0.00 175.26 175.91 2kvb n THR 618 N 3.05 0.00 -0.10 3.63 -2.24 0.64 -4.99 114.28 114.28 2kvb n THR 618 Ca -0.18 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.54 2kvb n THR 618 Cb 0.52 -0.13 0.12 0.00 -2.10 0.00 0.00 70.33 68.75 2kvb n THR 618 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2kvb h ASP 619 N 0.00 0.77 0.00 3.42 3.32 -2.04 -3.36 116.42 118.53 2kvb h ASP 619 Ca 0.00 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.82 2kvb h ASP 619 Cb 0.00 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.34 2kvb h ASP 619 CO 0.00 0.91 0.00 0.29 -1.72 0.00 0.00 179.24 178.72 2kvb n LYS 620 N -4.16 0.63 -4.38 3.56 4.01 -1.26 -4.95 118.16 111.61 2kvb n LYS 620 Ca 0.01 -0.14 -0.20 0.00 -0.51 0.00 0.00 58.31 57.48 2kvb n LYS 620 Cb 0.37 -0.55 -0.10 0.00 -0.51 0.00 0.00 35.03 34.25 2kvb n LYS 620 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 2kvb s TYR 621 N -0.13 1.81 -0.02 2.13 1.51 -1.26 -0.58 117.35 120.81 2kvb s TYR 621 Ca 0.00 -0.66 -0.01 0.00 -1.01 0.00 0.00 57.07 55.39 2kvb s TYR 621 Cb 0.00 -0.95 0.02 0.00 -0.11 0.00 0.00 41.96 40.92 2kvb s TYR 621 CO 0.00 0.29 0.05 -1.83 -1.11 0.00 0.00 175.55 172.94 2kvb s GLU 622 N -3.70 0.01 -0.17 -0.62 -1.05 -0.28 -0.26 118.70 112.63 2kvb s GLU 622 Ca 0.26 0.15 -0.01 0.00 -0.15 0.00 0.00 54.97 55.22 2kvb s GLU 622 Cb 0.02 -0.12 -0.01 0.00 -0.44 0.00 0.00 34.13 33.58 2kvb s GLU 622 CO 0.09 -0.10 -0.11 -0.06 0.95 0.00 0.00 175.26 176.03 2kvb s PHE 623 N 0.62 2.85 -0.21 4.83 0.40 0.12 -1.12 117.98 125.48 2kvb s PHE 623 Ca -0.05 -0.94 -0.05 0.00 -0.60 0.00 0.00 56.93 55.29 2kvb s PHE 623 Cb -0.07 -1.95 -0.03 0.00 0.51 0.00 0.00 43.02 41.49 2kvb s PHE 623 CO -0.02 -0.44 0.01 -1.01 0.70 0.00 0.00 175.22 174.46 2kvb s HIS 624 N 0.92 3.05 0.06 0.36 3.76 0.19 0.19 115.29 123.83 2kvb s HIS 624 Ca -0.02 -0.44 0.02 0.00 -0.15 0.00 0.00 55.06 54.46 2kvb s HIS 624 Cb -0.15 -2.10 -0.03 0.00 1.11 0.00 0.00 32.58 31.41 2kvb s HIS 624 CO -0.01 -0.24 -0.07 0.96 -0.85 0.00 0.00 174.74 174.53 2kvb s ILE 625 N 1.05 0.55 0.06 0.60 -4.36 0.01 -0.44 121.20 118.67 2kvb s ILE 625 Ca 0.02 -1.48 0.05 0.00 -0.26 0.00 0.00 60.65 58.98 2kvb s ILE 625 Cb -0.14 -1.11 -0.03 0.00 1.25 0.00 0.00 42.46 42.43 2kvb s ILE 625 CO 0.02 -0.64 -0.15 0.21 0.24 0.00 0.00 174.94 174.62 2kvb s ASN 626 N -2.29 1.76 -0.49 4.36 2.47 -0.44 -0.86 114.94 119.45 2kvb s ASN 626 Ca 0.00 -0.57 -0.26 0.00 0.42 0.00 0.00 52.86 52.45 2kvb s ASN 626 Cb -0.02 -0.08 0.03 0.00 -1.45 0.00 0.00 41.25 39.73 2kvb s ASN 626 CO -0.03 -0.02 1.01 -0.69 -3.72 0.00 0.00 177.10 173.65 2kvb s VAL 627 N -1.12 4.34 0.09 -5.21 1.01 -1.26 -4.77 120.40 113.48 2kvb s VAL 627 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.79 2kvb s VAL 627 Cb -0.09 -4.53 0.00 0.00 0.00 0.00 0.00 36.38 31.76 2kvb s VAL 627 CO 0.02 -0.98 0.00 0.00 0.00 0.00 0.00 175.10 174.14 2kvb n GLY 629 N -1.49 0.47 3.98 0.00 0.00 0.61 -4.81 105.19 103.95 2kvb n GLY 629 Ca 0.00 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 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 2.99 -0.18 1.61 0.04 -1.26 -2.93 135.00 135.27 2kvb s PRO 630 Ca 0.00 -0.86 -0.07 0.00 0.04 0.00 0.00 61.00 60.10 2kvb s PRO 630 Cb 0.00 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 2kvb s PRO 630 CO 0.00 -0.18 0.06 0.54 0.04 0.00 0.00 177.00 177.46 2kvb s VAL 631 N -2.38 4.75 -1.15 -0.36 0.11 0.17 -4.78 120.40 116.75 2kvb s VAL 631 Ca 0.49 -0.05 -0.10 0.00 -2.93 0.00 0.00 61.98 59.39 2kvb s VAL 631 Cb -0.10 -3.13 0.24 0.00 -1.53 0.00 0.00 36.38 31.86 2kvb s VAL 631 CO 0.34 0.46 1.27 -0.24 -3.33 0.00 0.00 175.10 173.61 2kvb n SER 632 N 3.51 5.48 -4.61 3.54 2.88 -1.24 -4.61 113.62 118.57 2kvb n SER 632 Ca -0.17 -3.05 -0.34 0.00 -1.33 0.00 0.00 58.87 53.98 2kvb n SER 632 Cb 0.52 -1.44 -0.11 0.00 -0.75 0.00 0.00 64.21 62.44 2kvb n SER 632 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2kvb s VAL 633 N -0.42 3.99 -1.51 2.46 1.01 -1.26 -4.73 120.40 119.94 2kvb s VAL 633 Ca 0.35 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2kvb s VAL 633 Cb -0.06 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.65 2kvb s VAL 633 CO -0.04 0.58 0.65 0.61 0.00 0.00 0.00 175.10 176.90 2kvb n GLY 634 N 2.45 0.20 0.00 4.51 0.00 -1.26 -2.32 105.19 108.76 2kvb n GLY 634 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.22 1.36 -2.96 4.61 0.00 -1.26 -5.06 120.51 116.98 2kvb n ALA 635 Ca 0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 53.44 52.82 2kvb n ALA 635 Cb 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.44 2kvb n ALA 635 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kvb s PRO 637 N -1.31 4.11 0.09 0.00 0.04 -1.26 -4.50 135.00 132.16 2kvb s PRO 637 Ca -0.14 2.06 0.07 0.00 0.04 0.00 0.00 61.00 63.03 2kvb s PRO 637 Cb -0.09 -2.82 0.35 0.00 0.04 0.00 0.00 34.50 31.98 2kvb s PRO 637 CO -0.01 -0.34 1.21 -2.30 0.04 0.00 0.00 177.00 175.59 2kvb n PRO 638 N 0.31 0.04 0.00 0.56 -0.02 -1.26 -0.95 135.00 133.68 2kvb n PRO 638 Ca 0.03 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.16 2kvb n PRO 638 Cb 0.44 -1.63 0.60 0.00 -0.02 0.00 0.00 33.50 32.89 2kvb n PRO 638 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2kvb n ASP 639 N -1.71 0.00 -4.82 2.55 9.92 -1.26 -4.62 116.55 116.62 2kvb n ASP 639 Ca -0.00 0.40 -0.34 0.00 -0.53 0.00 0.00 54.79 54.32 2kvb n ASP 639 Cb 0.02 -0.47 -0.07 0.00 -0.64 0.00 0.00 41.12 39.97 2kvb n ASP 639 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2kvb s SER 640 N -2.93 5.91 -0.01 -2.24 1.04 -0.12 -0.17 113.70 115.17 2kvb s SER 640 Ca 0.15 0.25 0.16 0.00 0.48 0.00 0.00 55.95 56.99 2kvb s SER 640 Cb 0.18 -1.77 -0.22 0.00 0.10 0.00 0.00 66.02 64.30 2kvb s SER 640 CO 0.48 0.30 0.48 0.61 0.98 0.00 0.00 173.24 176.09 2kvb n GLY 641 N 1.36 -0.66 2.86 7.32 0.00 0.46 0.45 105.19 116.98 2kvb n GLY 641 Ca -0.14 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.91 -0.18 -0.03 4.61 0.00 -1.12 -1.32 121.76 120.81 2kvb s ALA 642 Ca -0.02 0.58 -0.02 0.00 0.00 0.00 0.00 51.96 52.51 2kvb s ALA 642 Cb 0.11 -0.70 0.02 0.00 0.00 0.00 0.00 23.12 22.55 2kvb s ALA 642 CO 0.67 -0.44 0.08 0.00 0.00 0.00 0.00 175.76 176.06 2kvb s GLN 644 N 0.55 2.89 -0.02 0.00 -2.07 -0.37 -0.64 119.66 120.00 2kvb s GLN 644 Ca -0.04 -0.53 0.01 0.00 -1.82 0.00 0.00 55.36 52.98 2kvb s GLN 644 Cb -0.06 -2.74 0.01 0.00 -1.09 0.00 0.00 33.01 29.13 2kvb s GLN 644 CO -0.02 0.65 -0.03 0.54 -1.32 0.00 0.00 175.29 175.11 2kvb s VAL 645 N -1.05 0.33 -0.22 3.63 0.11 -0.27 -0.32 120.40 122.60 2kvb s VAL 645 Ca 0.18 -0.07 -0.29 0.00 -2.93 0.00 0.00 61.98 58.87 2kvb s VAL 645 Cb -0.12 -0.35 0.00 0.00 -1.53 0.00 0.00 36.38 34.39 2kvb s VAL 645 CO 0.09 0.15 1.13 -0.55 -3.33 0.00 0.00 175.10 172.58 2kvb s SER 646 N 0.55 7.01 0.50 3.54 0.15 0.98 -1.13 113.70 125.31 2kvb s SER 646 Ca -0.06 1.44 0.29 0.00 0.70 0.00 0.00 55.95 58.32 2kvb s SER 646 Cb -0.09 -2.54 1.13 0.00 -1.71 0.00 0.00 66.02 62.81 2kvb s SER 646 CO -0.01 -0.74 1.90 0.08 1.20 0.00 0.00 173.24 175.67 2kvb h ARG 647 N 7.85 0.00 0.06 5.44 0.11 -1.13 0.33 114.38 127.04 2kvb h ARG 647 Ca -0.22 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.74 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 0.99 0.09 -0.57 1.03 0.10 0.00 0.00 179.97 181.61 2kvb h SER 648 N 0.00 0.19 0.12 0.08 0.87 -1.78 -3.40 113.55 109.64 2kvb h SER 648 Ca -0.00 -0.91 0.00 0.00 -1.23 0.00 0.00 61.79 59.65 2kvb h SER 648 Cb 0.63 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2kvb h SER 648 CO 0.01 1.26 -1.83 0.47 -0.53 0.00 0.00 176.83 176.21 2kvb n ASP 649 N -4.35 0.15 -0.81 6.23 9.92 -1.17 -4.97 116.55 121.55 2kvb n ASP 649 Ca -0.16 -0.01 -0.11 0.00 -0.53 0.00 0.00 54.79 53.99 2kvb n ASP 649 Cb 0.66 1.76 -0.05 0.00 -0.64 0.00 0.00 41.12 42.85 2kvb n ASP 649 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2kvb n ARG 650 N -2.27 -0.86 -3.50 -1.24 3.00 0.12 -4.99 116.66 106.92 2kvb n ARG 650 Ca -0.03 0.85 -0.26 0.00 -0.01 0.00 0.00 57.85 58.40 2kvb n ARG 650 Cb 0.56 -4.84 -0.02 0.00 0.00 0.00 0.00 32.46 28.16 2kvb n ARG 650 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2kvb s LYS 651 N -2.81 3.53 0.03 5.56 1.02 -1.25 -4.83 119.74 120.99 2kvb s LYS 651 Ca 0.00 -0.27 -0.04 0.00 0.02 0.00 0.00 55.97 55.67 2kvb s LYS 651 Cb 0.00 -2.72 -0.01 0.00 -0.52 0.00 0.00 37.83 34.57 2kvb s LYS 651 CO 0.00 0.26 0.07 -1.54 -0.92 0.00 0.00 175.35 173.21 2kvb s SER 652 N -3.55 0.18 0.04 2.83 1.04 -1.26 -0.01 113.70 112.97 2kvb s SER 652 Ca 0.40 -0.48 0.02 0.00 0.48 0.00 0.00 55.95 56.37 2kvb s SER 652 Cb -0.10 0.19 -0.02 0.00 0.10 0.00 0.00 66.02 66.18 2kvb s SER 652 CO 0.32 -0.43 -0.08 0.26 0.98 0.00 0.00 173.24 174.30 2kvb s TRP 653 N -2.11 0.65 -0.22 5.02 0.51 0.56 -4.98 118.94 118.38 2kvb s TRP 653 Ca -0.09 -0.45 -0.15 0.00 -2.12 0.00 0.00 56.10 53.28 2kvb s TRP 653 Cb -0.04 -0.39 -0.04 0.00 -0.81 0.00 0.00 33.47 32.18 2kvb s TRP 653 CO -0.03 -0.07 0.37 1.21 -0.51 0.00 0.00 176.95 177.92 2kvb s ASN 654 N -1.42 6.37 -0.09 2.95 2.47 -1.26 -1.24 114.94 122.72 2kvb s ASN 654 Ca -0.09 0.44 0.13 0.00 0.42 0.00 0.00 52.86 53.76 2kvb s ASN 654 Cb -0.09 -2.22 0.37 0.00 -1.45 0.00 0.00 41.25 37.86 2kvb s ASN 654 CO 0.00 -0.08 1.29 0.18 -3.72 0.00 0.00 177.10 174.78 2kvb n LEU 655 N 4.59 3.20 0.00 3.21 4.77 0.14 -0.55 117.00 132.36 2kvb n LEU 655 Ca -0.09 -2.52 0.00 0.00 -0.03 0.00 0.00 56.01 53.37 2kvb n LEU 655 Cb 0.51 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 2kvb n LEU 655 CO 0.39 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.74 2kvb n GLY 656 N -0.17 3.41 3.66 -0.72 0.00 -1.18 -1.18 105.19 109.01 2kvb n GLY 656 Ca 0.15 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2kvb n GLY 656 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kvb s ARG 657 N -1.27 0.01 0.25 1.61 0.52 -1.26 -0.40 118.95 118.40 2kvb s ARG 657 Ca 0.00 0.36 -0.31 0.00 -0.52 0.00 0.00 55.73 55.26 2kvb s ARG 657 Cb 0.00 -1.70 -0.13 0.00 0.52 0.00 0.00 34.95 33.64 2kvb s ARG 657 CO 0.00 -2.98 1.43 0.45 0.02 0.00 0.00 175.30 174.22 2kvb n SER 658 N -4.32 2.88 -3.52 0.23 2.88 0.76 -3.88 113.62 108.64 2kvb n SER 658 Ca 0.07 1.14 -0.12 0.00 -1.33 0.00 0.00 58.87 58.63 2kvb n SER 658 Cb 0.58 -1.45 -0.04 0.00 -0.75 0.00 0.00 64.21 62.55 2kvb n SER 658 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2kvb s ASN 659 N 0.31 -0.48 -0.02 -3.46 2.47 -1.15 -4.85 114.94 107.75 2kvb s ASN 659 Ca 0.68 0.33 0.08 0.00 0.42 0.00 0.00 52.86 54.36 2kvb s ASN 659 Cb -0.63 0.44 0.13 0.00 -1.45 0.00 0.00 41.25 39.74 2kvb s ASN 659 CO 0.50 -0.59 1.06 0.00 -3.72 0.00 0.00 177.10 174.34 2kvb n ALA 660 N 0.36 2.15 -2.60 1.71 0.00 -1.26 -0.29 120.51 120.58 2kvb n ALA 660 Ca -0.13 -1.51 -0.42 0.00 0.00 0.00 0.00 53.44 51.38 2kvb n ALA 660 Cb 0.60 -0.53 -0.05 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.39 3.90 0.11 0.00 -0.14 -1.26 -1.18 119.74 120.77 2kvb s LYS 661 Ca 0.11 0.47 0.02 0.00 -1.36 0.00 0.00 55.97 55.22 2kvb s LYS 661 Cb 0.12 -3.75 -0.04 0.00 -1.68 0.00 0.00 37.83 32.48 2kvb s LYS 661 CO -0.03 -0.71 0.20 -0.51 -0.76 0.00 0.00 175.35 173.54 2kvb s LEU 662 N 2.94 4.16 0.07 3.17 1.02 -1.20 -3.77 118.68 125.07 2kvb s LEU 662 Ca 0.31 0.12 0.06 0.00 0.02 0.00 0.00 54.13 54.64 2kvb s LEU 662 Cb -0.14 -2.77 -0.03 0.00 0.02 0.00 0.00 46.19 43.27 2kvb s LEU 662 CO 0.13 0.12 -0.16 -0.44 0.02 0.00 0.00 176.35 176.03 2kvb s SER 663 N -2.80 1.87 -0.13 2.29 0.01 0.81 0.88 113.70 116.63 2kvb s SER 663 Ca 0.33 -0.62 -0.00 0.00 1.31 0.00 0.00 55.95 56.97 2kvb s SER 663 Cb -0.12 -0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.02 2kvb s SER 663 CO 0.26 -0.03 -0.12 -0.47 0.41 0.00 0.00 173.24 173.28 2kvb s TYR 664 N -1.20 2.82 0.01 2.43 6.14 -0.90 -0.50 117.35 126.14 2kvb s TYR 664 Ca 0.00 -0.65 0.07 0.00 0.64 0.00 0.00 57.07 57.13 2kvb s TYR 664 Cb -0.10 -1.86 -0.03 0.00 0.42 0.00 0.00 41.96 40.40 2kvb s TYR 664 CO 0.03 -0.22 -0.20 0.71 0.64 0.00 0.00 175.55 176.51 2kvb s TYR 665 N 0.40 2.52 -0.30 4.97 2.02 -0.27 -3.11 117.35 123.59 2kvb s TYR 665 Ca -0.10 -0.28 -0.40 0.00 -0.37 0.00 0.00 57.07 55.92 2kvb s TYR 665 Cb -0.16 -1.51 -0.15 0.00 -0.40 0.00 0.00 41.96 39.75 2kvb s TYR 665 CO 0.05 0.16 1.83 -3.47 -1.57 0.00 0.00 175.55 172.56 2kvb n ASP 666 N 1.95 2.32 0.00 2.29 2.03 -1.25 -0.90 116.55 122.99 2kvb n ASP 666 Ca -0.16 0.97 0.00 0.00 0.52 0.00 0.00 54.79 56.11 2kvb n ASP 666 Cb 0.52 -1.15 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 2kvb n ASP 666 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kvb n GLY 667 N 4.69 3.12 3.54 0.27 0.00 -1.26 -5.03 105.19 110.51 2kvb n GLY 667 Ca 0.30 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 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 1.41 -0.04 1.61 0.23 -0.08 -4.89 119.30 117.54 2kvb s MET 668 Ca 0.00 -0.93 -0.13 0.00 -1.03 0.00 0.00 55.69 53.60 2kvb s MET 668 Cb 0.00 0.51 -0.05 0.00 -1.53 0.00 0.00 34.83 33.76 2kvb s MET 668 CO 0.00 -0.60 0.33 0.42 -2.03 0.00 0.00 175.02 173.15 2kvb s ILE 669 N -3.90 5.17 0.03 3.16 1.01 -1.18 -1.11 121.20 124.38 2kvb s ILE 669 Ca 0.11 0.66 0.03 0.00 0.00 0.00 0.00 60.65 61.46 2kvb s ILE 669 Cb -0.01 -3.63 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 2kvb s ILE 669 CO -0.01 0.57 -0.10 -1.10 0.00 0.00 0.00 174.94 174.31 2kvb s GLN 670 N -0.93 0.67 -0.16 2.79 -0.21 0.35 0.13 119.66 122.31 2kvb s GLN 670 Ca 0.21 -0.62 0.01 0.00 0.02 0.00 0.00 55.36 54.99 2kvb s GLN 670 Cb -0.15 -0.59 0.01 0.00 1.00 0.00 0.00 33.01 33.27 2kvb s GLN 670 CO 0.10 0.14 -0.19 -1.17 -2.12 0.00 0.00 175.29 172.05 2kvb s LEU 671 N -1.04 2.25 -0.23 2.90 0.20 0.16 -0.13 118.68 122.80 2kvb s LEU 671 Ca -0.02 -0.57 -0.09 0.00 0.69 0.00 0.00 54.13 54.14 2kvb s LEU 671 Cb -0.07 -1.50 -0.04 0.00 -0.43 0.00 0.00 46.19 44.15 2kvb s LEU 671 CO 0.01 0.06 0.11 -0.89 -0.29 0.00 0.00 176.35 175.35 2kvb s THR 672 N 0.94 4.95 0.63 3.68 2.01 -1.25 -1.24 115.64 125.36 2kvb s THR 672 Ca -0.03 0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.02 2kvb s THR 672 Cb -0.15 -3.29 0.12 0.00 0.01 0.00 0.00 72.50 69.19 2kvb s THR 672 CO -0.04 0.37 0.86 -1.22 -0.69 0.00 0.00 174.62 173.91 2kvb n TYR 673 N 4.24 -2.82 -2.14 4.92 4.01 -0.29 -4.72 117.16 120.36 2kvb n TYR 673 Ca -0.16 -1.69 -0.28 0.00 -0.16 0.00 0.00 57.90 55.62 2kvb n TYR 673 Cb 0.52 -0.62 0.16 0.00 -0.31 0.00 0.00 39.34 39.09 2kvb n TYR 673 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2kvb s ARG 674 N -4.74 0.93 0.31 -0.72 1.81 -1.25 -4.70 118.95 110.59 2kvb s ARG 674 Ca 0.59 -0.64 0.05 0.00 -1.72 0.00 0.00 55.73 54.01 2kvb s ARG 674 Cb -0.04 -1.99 0.70 0.00 -0.45 0.00 0.00 34.95 33.17 2kvb s ARG 674 CO 0.39 -2.13 1.81 0.38 -0.68 0.00 0.00 175.30 175.06 2kvb h ASP 675 N -1.31 0.81 0.00 0.23 2.03 -1.90 -3.34 116.42 112.94 2kvb h ASP 675 Ca -0.42 0.07 0.00 0.00 -0.73 0.00 0.00 57.03 55.96 2kvb h ASP 675 Cb 1.24 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 2kvb h ASP 675 CO 0.38 0.35 0.00 0.61 -1.03 0.00 0.00 179.24 179.55 2kvb n GLY 676 N -1.35 3.77 3.69 7.15 0.00 -1.26 -2.97 105.19 114.22 2kvb n GLY 676 Ca 0.21 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 4.90 0.57 2.61 2.01 0.29 -4.89 115.64 121.13 2kvb s THR 677 Ca 0.00 -0.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.83 2kvb s THR 677 Cb 0.00 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 2kvb s THR 677 CO 0.00 0.51 1.04 -2.16 -0.69 0.00 0.00 174.62 173.31 2kvb s PRO 678 N -0.05 3.50 0.00 4.92 0.04 -1.26 -0.98 135.00 141.18 2kvb s PRO 678 Ca 0.07 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.26 2kvb s PRO 678 Cb -0.12 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2kvb s PRO 678 CO 0.01 -0.65 0.85 0.66 0.04 0.00 0.00 177.00 177.90 2kvb n TYR 679 N -1.85 0.00 0.00 0.56 4.01 0.22 -4.80 117.16 115.30 2kvb n TYR 679 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 2kvb n TYR 679 Cb 0.53 -0.35 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 2kvb n TYR 679 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2kvb n ASN 680 N -2.22 0.00 -4.95 7.72 0.23 -1.26 -5.09 115.26 109.69 2kvb n ASN 680 Ca 0.00 0.00 -0.23 0.00 -0.53 0.00 0.00 54.58 53.82 2kvb n ASN 680 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2kvb n ASN 680 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2kvb s ASN 681 N 0.00 6.01 0.45 0.53 4.22 -1.26 -4.95 114.94 119.93 2kvb s ASN 681 Ca 0.00 0.28 0.15 0.00 -2.14 0.00 0.00 52.86 51.15 2kvb s ASN 681 Cb 0.00 -1.67 1.02 0.00 1.28 0.00 0.00 41.25 41.88 2kvb s ASN 681 CO 0.00 -0.52 1.99 -0.08 -2.04 0.00 0.00 177.10 176.45 2kvb h GLU 682 N 0.59 0.00 0.00 3.55 4.81 -2.02 0.80 114.58 122.31 2kvb h GLU 682 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2kvb h GLU 682 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2kvb h GLU 682 CO 0.58 0.19 0.00 -0.22 -0.73 0.00 0.00 179.01 178.83 2kvb h LYS 683 N 0.00 0.00 -5.64 1.92 3.64 -2.05 -3.47 116.57 110.97 2kvb h LYS 683 Ca -0.00 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.07 2kvb h LYS 683 Cb 0.34 0.00 0.17 0.00 -0.41 0.00 0.00 32.23 32.32 2kvb h LYS 683 CO 0.02 0.00 -0.84 0.54 -2.27 0.00 0.00 179.45 176.91 2kvb n ARG 684 N -2.53 -3.72 -3.02 1.90 5.12 0.27 -4.94 116.66 109.74 2kvb n ARG 684 Ca 0.04 0.80 -0.41 0.00 -1.93 0.00 0.00 57.85 56.35 2kvb n ARG 684 Cb 0.38 -5.63 -0.05 0.00 -1.16 0.00 0.00 32.46 25.99 2kvb n ARG 684 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2kvb s THR 685 N -3.41 4.93 0.41 0.55 2.01 -1.26 -4.81 115.64 114.06 2kvb s THR 685 Ca 0.28 1.34 -0.26 0.00 0.31 0.00 0.00 61.69 63.37 2kvb s THR 685 Cb -0.05 -4.02 -0.09 0.00 0.01 0.00 0.00 72.50 68.36 2kvb s THR 685 CO 0.75 0.02 1.30 -2.16 -0.69 0.00 0.00 174.62 173.84 2kvb s PRO 686 N 2.41 3.93 -0.16 4.92 0.04 -1.26 -0.61 135.00 144.28 2kvb s PRO 686 Ca 0.31 2.14 -0.08 0.00 0.04 0.00 0.00 61.00 63.42 2kvb s PRO 686 Cb -0.16 -2.73 -0.04 0.00 0.04 0.00 0.00 34.50 31.61 2kvb s PRO 686 CO 0.09 -0.52 0.10 1.03 0.04 0.00 0.00 177.00 177.75 2kvb s ARG 687 N -2.28 3.77 0.29 4.56 0.52 -0.15 -4.77 118.95 120.89 2kvb s ARG 687 Ca 0.58 -0.24 0.04 0.00 -0.52 0.00 0.00 55.73 55.59 2kvb s ARG 687 Cb -0.38 -3.23 -0.06 0.00 0.52 0.00 0.00 34.95 31.81 2kvb s ARG 687 CO 0.48 0.49 0.02 0.00 0.02 0.00 0.00 175.30 176.31 2kvb s ALA 688 N -0.21 2.20 -0.10 2.13 0.00 -1.25 -4.15 121.76 120.38 2kvb s ALA 688 Ca 0.09 -1.94 0.01 0.00 0.00 0.00 0.00 51.96 50.12 2kvb s ALA 688 Cb -0.12 0.51 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 2kvb s ALA 688 CO 0.01 -0.24 -0.13 0.99 0.00 0.00 0.00 175.76 176.39 2kvb s THR 689 N -3.27 3.11 -0.17 0.00 2.01 -0.33 0.38 115.64 117.37 2kvb s THR 689 Ca 0.33 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.66 2kvb s THR 689 Cb 0.07 -2.27 0.04 0.00 0.01 0.00 0.00 72.50 70.34 2kvb s THR 689 CO 0.13 0.55 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.30 2kvb s LEU 690 N -0.09 1.85 -0.23 4.42 1.98 0.16 -1.14 118.68 125.64 2kvb s LEU 690 Ca -0.02 -0.70 -0.09 0.00 -2.89 0.00 0.00 54.13 50.44 2kvb s LEU 690 Cb -0.14 -1.07 -0.04 0.00 0.66 0.00 0.00 46.19 45.60 2kvb s LEU 690 CO 0.04 -0.15 0.11 -0.63 -1.89 0.00 0.00 176.35 173.82 2kvb s ILE 691 N 1.53 4.88 -0.29 6.68 1.09 -0.37 -1.44 121.20 133.28 2kvb s ILE 691 Ca 0.01 0.01 -0.09 0.00 -1.10 0.00 0.00 60.65 59.48 2kvb s ILE 691 Cb -0.15 -3.26 -0.02 0.00 -1.06 0.00 0.00 42.46 37.97 2kvb s ILE 691 CO -0.08 0.37 0.13 -0.89 -0.10 0.00 0.00 174.94 174.37 2kvb s THR 692 N 1.04 4.57 -0.24 2.92 2.01 0.18 -0.66 115.64 125.45 2kvb s THR 692 Ca 0.05 -0.29 -0.14 0.00 0.31 0.00 0.00 61.69 61.63 2kvb s THR 692 Cb -0.14 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 2kvb s THR 692 CO 0.04 0.17 0.33 -0.36 -0.69 0.00 0.00 174.62 174.11 2kvb s PHE 693 N 1.63 3.31 0.09 4.92 0.40 0.12 -0.15 117.98 128.30 2kvb s PHE 693 Ca 0.05 0.44 0.07 0.00 -0.60 0.00 0.00 56.93 56.90 2kvb s PHE 693 Cb -0.16 -2.48 -0.04 0.00 0.51 0.00 0.00 43.02 40.85 2kvb s PHE 693 CO 0.06 -0.07 -0.14 -0.51 0.70 0.00 0.00 175.22 175.25 2kvb s LEU 694 N 1.53 2.84 -0.21 -0.37 1.43 0.11 -3.08 118.68 120.93 2kvb s LEU 694 Ca 0.15 -0.44 -0.20 0.00 -1.03 0.00 0.00 54.13 52.61 2kvb s LEU 694 Cb -0.15 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.38 2kvb s LEU 694 CO 0.08 0.20 0.58 0.00 0.23 0.00 0.00 176.35 177.45 2kvb s ASP 696 N 1.25 0.52 0.32 0.00 2.15 -1.26 -5.01 116.67 114.64 2kvb s ASP 696 Ca 0.26 -0.30 0.02 0.00 0.43 0.00 0.00 52.55 52.95 2kvb s ASP 696 Cb -0.16 0.01 0.55 0.00 -0.30 0.00 0.00 42.92 43.02 2kvb s ASP 696 CO 0.10 -0.10 1.92 0.03 -0.17 0.00 0.00 175.17 176.94 2kvb h ARG 697 N 5.28 0.76 -4.65 4.34 3.08 -1.96 -3.39 114.38 117.84 2kvb h ARG 697 Ca -0.31 -0.11 -0.70 0.00 0.07 0.00 0.00 59.98 58.94 2kvb h ARG 697 Cb 1.20 -0.14 -0.26 0.00 0.08 0.00 0.00 29.97 30.86 2kvb h ARG 697 CO 0.45 0.62 -0.56 0.34 -1.07 0.00 0.00 179.97 179.76 2kvb s ASP 698 N -6.58 5.53 -0.02 7.04 2.15 -1.26 -4.99 116.67 118.55 2kvb s ASP 698 Ca -0.09 -0.97 -0.11 0.00 0.43 0.00 0.00 52.55 51.81 2kvb s ASP 698 Cb 0.16 -1.96 0.04 0.00 -0.30 0.00 0.00 42.92 40.86 2kvb s ASP 698 CO 0.78 -0.33 0.48 0.00 -0.17 0.00 0.00 175.17 175.93 2kvb n ALA 699 N 4.93 -1.38 -2.00 3.66 0.00 -1.26 -4.94 120.51 119.52 2kvb n ALA 699 Ca -0.12 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.04 2kvb n ALA 699 Cb 0.46 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.35 0.07 0.13 0.00 0.00 -1.26 -4.70 105.19 99.08 2kvb n GLY 700 Ca 0.02 0.46 -0.17 0.00 0.00 0.00 0.00 46.02 46.33 2kvb n GLY 700 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2kvb h VAL 701 N 0.00 1.45 0.00 1.61 3.04 -1.97 -2.34 116.25 118.04 2kvb h VAL 701 Ca 0.00 -2.03 0.00 0.00 -1.01 0.00 0.00 66.70 63.66 2kvb h VAL 701 Cb 0.00 2.60 0.00 0.00 -2.01 0.00 0.00 31.29 31.88 2kvb h VAL 701 CO 0.00 0.58 0.00 0.61 -1.01 0.00 0.00 177.57 177.75 2kvb n GLY 702 N 1.03 1.12 3.23 3.17 0.00 -1.24 -4.59 105.19 107.92 2kvb n GLY 702 Ca -0.10 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.88 2.60 0.40 1.61 0.08 -1.26 -4.92 117.98 115.60 2kvb s PHE 703 Ca 0.00 -1.03 -0.26 0.00 0.12 0.00 0.00 56.93 55.77 2kvb s PHE 703 Cb 0.00 -1.74 -0.09 0.00 -0.57 0.00 0.00 43.02 40.63 2kvb s PHE 703 CO 0.00 -0.41 1.24 -1.25 -0.10 0.00 0.00 175.22 174.70 2kvb s PRO 704 N 0.39 4.04 -0.10 0.24 0.04 -1.26 -4.28 135.00 134.06 2kvb s PRO 704 Ca -0.17 2.01 0.04 0.00 0.04 0.00 0.00 61.00 62.92 2kvb s PRO 704 Cb -0.18 -2.75 -0.00 0.00 0.04 0.00 0.00 34.50 31.62 2kvb s PRO 704 CO 0.08 -0.39 -0.23 -2.00 0.04 0.00 0.00 177.00 174.50 2kvb s GLU 705 N -2.22 3.06 -0.20 4.56 -6.30 0.12 -4.73 118.70 112.99 2kvb s GLU 705 Ca 0.56 -0.87 -0.29 0.00 -2.50 0.00 0.00 54.97 51.87 2kvb s GLU 705 Cb -0.35 -2.32 -0.01 0.00 0.00 0.00 0.00 34.13 31.45 2kvb s GLU 705 CO 0.44 0.19 1.32 -0.47 0.02 0.00 0.00 175.26 176.76 2kvb s TYR 706 N 0.32 2.70 0.00 5.30 5.04 -1.26 0.33 117.35 129.79 2kvb s TYR 706 Ca -0.18 0.89 0.00 0.00 -2.44 0.00 0.00 57.07 55.34 2kvb s TYR 706 Cb -0.18 -3.67 0.00 0.00 0.35 0.00 0.00 41.96 38.47 2kvb s TYR 706 CO 0.09 -1.92 0.01 1.04 -1.34 0.00 0.00 175.55 173.43 2kvb n GLN 707 N 6.90 0.00 -3.29 4.97 1.13 -0.05 -4.92 117.38 122.11 2kvb n GLN 707 Ca 0.15 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 55.24 2kvb n GLN 707 Cb 0.45 -0.19 -0.03 0.00 0.11 0.00 0.00 30.24 30.58 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 -0.01 0.22 -0.11 -1.09 -1.05 -1.24 -5.02 118.70 110.40 2kvb s GLU 708 Ca 0.00 0.51 -0.23 0.00 -0.15 0.00 0.00 54.97 55.10 2kvb s GLU 708 Cb 0.00 0.30 -0.03 0.00 -0.44 0.00 0.00 34.13 33.96 2kvb s GLU 708 CO 0.00 -0.12 0.69 -2.00 0.95 0.00 0.00 175.26 174.78 2kvb s GLU 709 N 2.52 4.36 0.00 -4.83 -6.30 -1.26 -4.06 118.70 109.13 2kvb s GLU 709 Ca -0.01 0.82 0.00 0.00 -2.50 0.00 0.00 54.97 53.28 2kvb s GLU 709 Cb -0.06 -3.49 0.00 0.00 0.00 0.00 0.00 34.13 30.57 2kvb s GLU 709 CO -0.16 -0.05 0.00 -3.47 0.02 0.00 0.00 175.26 171.60 2kvb n ASP 710 N 4.26 -0.02 0.12 -1.70 -0.08 -1.26 -4.95 116.55 112.92 2kvb n ASP 710 Ca -0.01 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.15 2kvb n ASP 710 Cb 0.51 0.46 -0.06 0.00 2.34 0.00 0.00 41.12 44.37 2kvb n ASP 710 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2kvb h ASN 711 N 0.00 -0.67 0.00 1.67 7.08 -2.05 -3.46 115.58 118.16 2kvb h ASN 711 Ca 0.00 0.08 0.00 0.00 -3.08 0.00 0.00 56.30 53.30 2kvb h ASN 711 Cb 0.00 0.25 0.00 0.00 -2.08 0.00 0.00 38.32 36.49 2kvb h ASN 711 CO 0.00 -0.33 0.00 -1.54 -2.08 0.00 0.00 177.43 173.48 2kvb n SER 712 N -5.36 0.00 -4.28 6.14 3.41 -1.26 -5.14 113.62 107.13 2kvb n SER 712 Ca -0.07 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.27 2kvb n SER 712 Cb 0.27 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.08 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 0.00 1.83 -0.24 6.66 2.01 -1.26 -3.79 115.64 120.85 2kvb s THR 713 Ca 0.00 -1.23 -0.28 0.00 0.31 0.00 0.00 61.69 60.48 2kvb s THR 713 Cb 0.00 -1.57 0.01 0.00 0.01 0.00 0.00 72.50 70.95 2kvb s THR 713 CO 0.00 0.29 1.01 -0.31 -0.69 0.00 0.00 174.62 174.92 2kvb s TYR 714 N -0.77 3.32 -0.14 4.92 1.51 0.16 -4.28 117.35 122.06 2kvb s TYR 714 Ca 0.09 1.39 -0.07 0.00 -1.01 0.00 0.00 57.07 57.47 2kvb s TYR 714 Cb -0.09 -3.28 -0.04 0.00 -0.11 0.00 0.00 41.96 38.44 2kvb s TYR 714 CO 0.02 -0.50 0.10 -0.80 -1.11 0.00 0.00 175.55 173.26 2kvb s ASN 715 N 1.27 6.04 0.01 2.29 -0.87 -1.25 0.40 114.94 122.82 2kvb s ASN 715 Ca 0.43 0.31 0.07 0.00 -1.57 0.00 0.00 52.86 52.09 2kvb s ASN 715 Cb -0.15 -1.96 -0.02 0.00 -0.02 0.00 0.00 41.25 39.10 2kvb s ASN 715 CO 0.07 0.32 -0.21 -0.36 -2.57 0.00 0.00 177.10 174.35 2kvb s PHE 716 N -0.50 1.90 -0.26 2.20 0.40 -0.52 -0.87 117.98 120.32 2kvb s PHE 716 Ca 0.11 -0.37 -0.08 0.00 -0.60 0.00 0.00 56.93 55.99 2kvb s PHE 716 Cb -0.12 -1.19 -0.03 0.00 0.51 0.00 0.00 43.02 42.20 2kvb s PHE 716 CO 0.02 0.02 0.11 0.50 0.70 0.00 0.00 175.22 176.57 2kvb s ARG 717 N -0.77 3.68 -0.13 0.44 3.52 0.15 0.47 118.95 126.31 2kvb s ARG 717 Ca 0.08 -0.47 -0.01 0.00 -0.13 0.00 0.00 55.73 55.20 2kvb s ARG 717 Cb -0.08 -3.43 -0.02 0.00 -1.56 0.00 0.00 34.95 29.85 2kvb s ARG 717 CO 0.00 -0.22 -0.11 -0.46 -0.81 0.00 0.00 175.30 173.70 2kvb s TRP 718 N 1.65 2.85 -0.37 5.12 -0.11 0.79 0.11 118.94 128.98 2kvb s TRP 718 Ca 0.06 -0.58 -0.09 0.00 1.22 0.00 0.00 56.10 56.71 2kvb s TRP 718 Cb -0.16 -1.87 0.04 0.00 -1.50 0.00 0.00 33.47 29.99 2kvb s TRP 718 CO 0.06 -0.18 0.18 0.71 -4.62 0.00 0.00 176.95 173.10 2kvb s TYR 719 N 0.36 3.26 -0.00 5.86 2.02 -1.26 0.08 117.35 127.67 2kvb s TYR 719 Ca -0.10 -1.20 -0.00 0.00 -0.37 0.00 0.00 57.07 55.40 2kvb s TYR 719 Cb -0.16 -2.46 -0.00 0.00 -0.40 0.00 0.00 41.96 38.94 2kvb s TYR 719 CO 0.05 -0.71 0.01 -0.08 -1.57 0.00 0.00 175.55 173.25 2kvb s THR 720 N 1.48 0.01 0.34 -0.71 -1.32 -1.14 -3.61 115.64 110.69 2kvb s THR 720 Ca 0.01 -0.12 0.28 0.00 -1.21 0.00 0.00 61.69 60.65 2kvb s THR 720 Cb -0.20 -0.05 0.30 0.00 -1.51 0.00 0.00 72.50 71.03 2kvb s THR 720 CO 0.05 -0.06 2.02 0.28 -2.21 0.00 0.00 174.62 174.69 2kvb h SER 721 N 5.94 0.00 0.72 8.08 0.02 -1.68 -2.61 113.55 124.01 2kvb h SER 721 Ca -0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2kvb h SER 721 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2kvb h SER 721 CO 0.49 0.13 0.00 -1.22 -1.14 0.00 0.00 176.83 175.09 2kvb n TYR 722 N -3.50 0.27 1.05 3.45 4.02 -1.26 -1.39 117.16 119.81 2kvb n TYR 722 Ca -0.01 0.10 0.12 0.00 -0.01 0.00 0.00 57.90 58.09 2kvb n TYR 722 Cb 0.28 -0.66 0.34 0.00 -0.02 0.00 0.00 39.34 39.28 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 -1.59 2.50 -2.58 -0.72 0.00 -0.98 -4.68 120.51 112.46 2kvb n ALA 723 Ca 0.04 -0.63 -0.31 0.00 0.00 0.00 0.00 53.44 52.54 2kvb n ALA 723 Cb 0.24 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.56 2kvb n ALA 723 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50