#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvb s ALA 579 N 0.00 0.28 0.19 4.31 0.00 -1.26 -5.06 121.76 120.22 2kvb s ALA 579 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2kvb s ALA 579 Cb 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.33 2kvb s ALA 579 CO 0.00 -0.76 0.00 0.39 0.00 0.00 0.00 175.76 175.39 2kvb n GLU 580 N 5.29 -1.37 0.00 0.00 4.71 -1.26 -4.88 120.64 123.13 2kvb n GLU 580 Ca -0.05 0.97 0.00 0.00 -0.01 0.00 0.00 57.16 58.08 2kvb n GLU 580 Cb 0.50 -1.65 0.00 0.00 -1.01 0.00 0.00 31.44 29.27 2kvb n GLU 580 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kvb n ALA 581 N -2.27 0.00 -2.54 0.62 0.00 -1.26 -4.87 120.51 110.19 2kvb n ALA 581 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.02 2kvb n ALA 581 Cb 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.73 2kvb n ALA 581 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2kvb s GLU 582 N 0.00 3.67 -0.41 0.00 2.02 -1.26 -4.78 118.70 117.94 2kvb s GLU 582 Ca 0.00 -1.40 0.05 0.00 0.02 0.00 0.00 54.97 53.64 2kvb s GLU 582 Cb 0.00 -5.41 0.19 0.00 0.10 0.00 0.00 34.13 29.01 2kvb s GLU 582 CO 0.00 -2.30 0.38 0.34 0.02 0.00 0.00 175.26 173.70 2kvb n PHE 583 N 9.01 -0.75 0.06 1.61 7.35 -1.26 -4.52 117.46 128.97 2kvb n PHE 583 Ca 0.39 -3.37 0.00 0.00 -0.76 0.00 0.00 57.45 53.71 2kvb n PHE 583 Cb 0.49 0.13 0.00 0.00 0.35 0.00 0.00 39.48 40.45 2kvb n PHE 583 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2kvb n LEU 584 N 2.53 -0.65 -0.02 -2.13 4.77 -1.26 -4.92 117.00 115.31 2kvb n LEU 584 Ca 0.28 0.23 0.05 0.00 -0.03 0.00 0.00 56.01 56.54 2kvb n LEU 584 Cb 0.49 0.79 -0.13 0.00 -2.33 0.00 0.00 43.42 42.24 2kvb n LEU 584 CO 0.10 -0.44 -0.77 -1.54 -1.33 0.00 0.00 177.39 173.42 2kvb n SER 585 N -2.83 1.08 -4.68 -1.43 3.41 -1.26 -4.93 113.62 102.98 2kvb n SER 585 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 2kvb n SER 585 Cb 0.00 1.60 -0.09 0.00 -0.26 0.00 0.00 64.21 65.47 2kvb n SER 585 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2kvb s ARG 586 N -3.03 4.02 -0.18 4.33 3.52 -1.26 -2.50 118.95 123.86 2kvb s ARG 586 Ca -0.07 -0.29 -0.00 0.00 -0.13 0.00 0.00 55.73 55.25 2kvb s ARG 586 Cb 0.10 -3.29 0.01 0.00 -1.56 0.00 0.00 34.95 30.21 2kvb s ARG 586 CO 0.70 0.31 -0.15 0.99 -0.81 0.00 0.00 175.30 176.34 2kvb s THR 587 N 0.29 2.52 -0.26 4.11 2.01 0.83 -4.03 115.64 121.10 2kvb s THR 587 Ca 0.06 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.16 2kvb s THR 587 Cb -0.12 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 2kvb s THR 587 CO -0.01 0.51 0.13 -0.70 -0.69 0.00 0.00 174.62 173.87 2kvb s GLU 588 N 1.14 3.82 0.00 4.92 2.12 -1.26 0.62 118.70 130.06 2kvb s GLU 588 Ca 0.01 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 54.95 2kvb s GLU 588 Cb -0.14 -3.50 0.00 0.00 0.26 0.00 0.00 34.13 30.75 2kvb s GLU 588 CO -0.06 -0.17 0.00 0.41 -0.54 0.00 0.00 175.26 174.90 2kvb n GLY 589 N 4.95 0.77 0.00 -1.50 0.00 -0.07 -4.97 105.19 104.37 2kvb n GLY 589 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.46 -4.65 1.61 8.00 -0.06 -4.88 116.55 117.03 2kvb n ASP 590 Ca 0.00 -0.70 -0.43 0.00 0.71 0.00 0.00 54.79 54.38 2kvb n ASP 590 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 2kvb n ASP 590 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2kvb s ASN 591 N -0.39 6.75 0.00 -2.24 0.01 -1.25 -2.60 114.94 115.22 2kvb s ASN 591 Ca 0.00 1.82 0.00 0.00 -0.71 0.00 0.00 52.86 53.97 2kvb s ASN 591 Cb 0.00 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.12 2kvb s ASN 591 CO 0.00 -0.91 0.00 0.00 -1.51 0.00 0.00 177.10 174.68 2kvb s THR 593 N -2.38 0.04 -0.13 0.00 -4.23 -1.22 -1.35 115.64 106.38 2kvb s THR 593 Ca 0.00 -0.35 -0.01 0.00 -1.18 0.00 0.00 61.69 60.15 2kvb s THR 593 Cb 0.00 -0.14 0.03 0.00 1.34 0.00 0.00 72.50 73.74 2kvb s THR 593 CO 0.00 -0.19 -0.04 0.54 -0.54 0.00 0.00 174.62 174.39 2kvb s VAL 594 N -0.57 0.87 -0.22 2.29 0.11 0.33 -0.88 120.40 122.33 2kvb s VAL 594 Ca -0.06 -0.34 -0.07 0.00 -2.93 0.00 0.00 61.98 58.57 2kvb s VAL 594 Cb -0.04 -1.02 -0.03 0.00 -1.53 0.00 0.00 36.38 33.76 2kvb s VAL 594 CO -0.00 0.21 0.06 0.12 -3.33 0.00 0.00 175.10 172.15 2kvb s PHE 595 N 1.75 3.11 -0.22 1.54 5.36 -1.26 -0.36 117.98 127.91 2kvb s PHE 595 Ca 0.03 -0.29 -0.05 0.00 -0.96 0.00 0.00 56.93 55.65 2kvb s PHE 595 Cb -0.14 -2.17 -0.02 0.00 -0.34 0.00 0.00 43.02 40.35 2kvb s PHE 595 CO -0.07 -0.20 0.01 0.34 -1.46 0.00 0.00 175.22 173.83 2kvb s ASP 596 N 1.19 4.79 0.35 6.13 2.15 -0.56 -4.72 116.67 126.00 2kvb s ASP 596 Ca 0.04 -0.24 0.13 0.00 0.43 0.00 0.00 52.55 52.91 2kvb s ASP 596 Cb -0.14 -1.83 0.63 0.00 -0.30 0.00 0.00 42.92 41.27 2kvb s ASP 596 CO 0.03 0.02 1.75 0.77 -0.17 0.00 0.00 175.17 177.58 2kvb h SER 597 N 7.81 0.00 0.19 -0.34 4.64 -1.97 0.11 113.55 123.99 2kvb h SER 597 Ca -0.38 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 60.69 2kvb h SER 597 Cb 1.17 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.29 2kvb h SER 597 CO 0.60 0.44 -1.13 0.06 -0.87 0.00 0.00 176.83 175.93 2kvb h GLN 598 N 0.00 0.40 0.00 4.77 3.07 -1.96 -3.31 115.11 118.08 2kvb h GLN 598 Ca -0.00 -0.69 -0.04 0.00 0.09 0.00 0.00 58.65 58.01 2kvb h GLN 598 Cb 0.82 0.26 -0.01 0.00 0.08 0.00 0.00 27.48 28.63 2kvb h GLN 598 CO 0.06 1.33 -0.18 0.00 0.09 0.00 0.00 178.83 180.13 2kvb h ALA 599 N 0.11 0.89 -1.68 0.06 0.00 -1.98 -3.47 119.26 113.18 2kvb h ALA 599 Ca -0.20 -0.16 -0.27 0.00 0.00 0.00 0.00 54.91 54.28 2kvb h ALA 599 Cb 1.88 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.61 2kvb h ALA 599 CO 0.20 0.22 -0.33 0.41 0.00 0.00 0.00 179.25 179.75 2kvb n GLY 600 N 1.06 0.11 3.12 0.00 0.00 0.36 -5.00 105.19 104.84 2kvb n GLY 600 Ca 0.03 -0.33 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.64 1.20 -0.12 1.61 0.08 -1.17 -5.00 117.98 111.94 2kvb s PHE 601 Ca 0.00 -0.30 0.01 0.00 0.12 0.00 0.00 56.93 56.76 2kvb s PHE 601 Cb 0.00 -0.74 -0.01 0.00 -0.57 0.00 0.00 43.02 41.70 2kvb s PHE 601 CO 0.00 0.01 -0.15 -1.54 -0.10 0.00 0.00 175.22 173.44 2kvb s SER 602 N -0.78 3.85 -0.10 1.36 1.04 -1.26 -1.49 113.70 116.32 2kvb s SER 602 Ca 0.03 -0.36 0.01 0.00 0.48 0.00 0.00 55.95 56.11 2kvb s SER 602 Cb -0.07 -1.52 0.02 0.00 0.10 0.00 0.00 66.02 64.55 2kvb s SER 602 CO 0.00 0.18 -0.13 -0.36 0.98 0.00 0.00 173.24 173.91 2kvb s PHE 603 N 0.28 1.80 -0.30 5.02 0.08 0.51 -4.97 117.98 120.39 2kvb s PHE 603 Ca -0.11 -0.84 -0.07 0.00 0.12 0.00 0.00 56.93 56.03 2kvb s PHE 603 Cb -0.16 -1.33 0.01 0.00 -0.57 0.00 0.00 43.02 40.97 2kvb s PHE 603 CO 0.06 -0.46 0.09 0.16 -0.10 0.00 0.00 175.22 174.97 2kvb s ASP 604 N 1.09 5.18 -0.23 1.36 -4.77 -1.26 -0.51 116.67 117.52 2kvb s ASP 604 Ca -0.05 -0.73 0.14 0.00 -3.30 0.00 0.00 52.55 48.61 2kvb s ASP 604 Cb -0.14 -1.89 0.63 0.00 -1.09 0.00 0.00 42.92 40.42 2kvb s ASP 604 CO -0.02 -0.21 1.57 0.18 0.70 0.00 0.00 175.17 177.39 2kvb n LEU 605 N 4.87 4.72 -0.22 2.11 4.77 -0.45 -4.59 117.00 128.21 2kvb n LEU 605 Ca -0.14 -3.14 -0.01 0.00 -0.03 0.00 0.00 56.01 52.68 2kvb n LEU 605 Cb 0.48 -0.62 0.10 0.00 -2.33 0.00 0.00 43.42 41.04 2kvb n LEU 605 CO 0.32 0.76 1.07 0.74 -1.33 0.00 0.00 177.39 178.95 2kvb h THR 606 N 2.27 0.93 0.00 -5.08 2.02 -1.91 -1.31 112.91 109.83 2kvb h THR 606 Ca 0.08 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 67.05 2kvb h THR 606 Cb 1.76 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 2kvb h THR 606 CO 0.40 0.11 0.00 1.55 0.37 0.00 0.00 175.52 177.96 2kvb h PRO 607 N 0.62 0.00 0.00 6.66 0.13 -1.94 -2.46 132.00 135.01 2kvb h PRO 607 Ca 0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.43 2kvb h PRO 607 Cb 0.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.36 2kvb h PRO 607 CO -0.20 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 178.85 2kvb n LEU 608 N -3.01 0.00 -4.74 1.56 7.99 -0.49 -4.78 117.00 113.53 2kvb n LEU 608 Ca -0.02 0.24 -0.41 0.00 -0.01 0.00 0.00 56.01 55.81 2kvb n LEU 608 Cb 0.10 -0.24 -0.04 0.00 -0.11 0.00 0.00 43.42 43.13 2kvb n LEU 608 CO 0.20 -0.05 0.77 -0.89 -1.51 0.00 0.00 177.39 175.91 2kvb s THR 609 N -2.48 3.92 0.05 -5.08 2.01 -0.93 -4.40 115.64 108.73 2kvb s THR 609 Ca 0.25 1.68 0.06 0.00 0.31 0.00 0.00 61.69 63.99 2kvb s THR 609 Cb 0.16 -4.07 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 2kvb s THR 609 CO 0.35 0.30 -0.16 -0.54 -0.69 0.00 0.00 174.62 173.88 2kvb s LYS 610 N -0.47 0.99 0.09 4.92 1.02 -1.26 -5.01 119.74 120.02 2kvb s LYS 610 Ca 0.48 -0.88 -0.16 0.00 0.02 0.00 0.00 55.97 55.44 2kvb s LYS 610 Cb -0.29 -1.05 -0.09 0.00 -0.52 0.00 0.00 37.83 35.89 2kvb s LYS 610 CO 0.35 0.25 1.43 -0.22 -0.92 0.00 0.00 175.35 176.24 2kvb h LYS 611 N 4.68 0.64 -0.00 1.68 3.64 -1.95 -2.85 116.57 122.40 2kvb h LYS 611 Ca -0.40 -0.31 0.00 0.00 -1.27 0.00 0.00 60.65 58.67 2kvb h LYS 611 Cb 1.18 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2kvb h LYS 611 CO 0.42 0.91 -0.18 -0.25 -2.27 0.00 0.00 179.45 178.08 2kvb n ASP 612 N -4.35 0.18 -0.20 4.20 9.92 -1.26 -2.23 116.55 122.80 2kvb n ASP 612 Ca -0.04 0.22 0.00 0.00 -0.53 0.00 0.00 54.79 54.45 2kvb n ASP 612 Cb 0.42 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 2kvb n ASP 612 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kvb n ALA 613 N -1.50 0.00 -2.44 2.24 0.00 -1.08 -4.72 120.51 113.02 2kvb n ALA 613 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 2kvb n ALA 613 Cb 0.34 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.66 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 0.00 2.45 -0.08 0.00 1.51 0.67 -4.88 117.35 117.02 2kvb s TYR 614 Ca 0.00 -0.31 0.03 0.00 -1.01 0.00 0.00 57.07 55.78 2kvb s TYR 614 Cb 0.00 -1.35 0.01 0.00 -0.11 0.00 0.00 41.96 40.50 2kvb s TYR 614 CO 0.00 0.31 -0.17 0.21 -1.11 0.00 0.00 175.55 174.79 2kvb s LYS 615 N -1.84 2.25 -0.12 -0.62 2.20 -1.26 -0.64 119.74 119.71 2kvb s LYS 615 Ca 0.15 -0.60 -0.05 0.00 -0.36 0.00 0.00 55.97 55.11 2kvb s LYS 615 Cb -0.10 -1.78 -0.04 0.00 -1.51 0.00 0.00 37.83 34.40 2kvb s LYS 615 CO 0.07 0.08 0.08 0.08 -0.36 0.00 0.00 175.35 175.30 2kvb s VAL 616 N 0.57 5.00 0.11 4.02 1.01 0.17 -4.92 120.40 126.36 2kvb s VAL 616 Ca -0.16 0.02 0.08 0.00 0.00 0.00 0.00 61.98 61.92 2kvb s VAL 616 Cb -0.17 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 2kvb s VAL 616 CO 0.05 0.59 -0.14 -1.61 0.00 0.00 0.00 175.10 173.99 2kvb s GLU 617 N -0.72 1.96 0.00 2.72 2.02 -1.26 -0.13 118.70 123.28 2kvb s GLU 617 Ca 0.12 -1.10 0.00 0.00 0.02 0.00 0.00 54.97 54.01 2kvb s GLU 617 Cb -0.12 -2.21 0.00 0.00 0.10 0.00 0.00 34.13 31.90 2kvb s GLU 617 CO 0.03 0.49 0.00 0.25 0.02 0.00 0.00 175.26 176.05 2kvb n THR 618 N 0.74 0.00 -0.11 3.63 -2.24 0.14 -4.88 114.28 111.55 2kvb n THR 618 Ca -0.14 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.52 2kvb n THR 618 Cb 0.52 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 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 0.64 0.00 3.42 3.32 -2.04 -3.39 116.42 118.38 2kvb h ASP 619 Ca 0.00 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.68 2kvb h ASP 619 Cb 0.00 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.37 2kvb h ASP 619 CO 0.00 0.87 0.00 0.29 -1.72 0.00 0.00 179.24 178.68 2kvb n LYS 620 N -4.43 -0.12 -4.17 3.56 5.02 -1.26 -4.99 118.16 111.77 2kvb n LYS 620 Ca -0.03 -0.34 -0.16 0.00 -2.02 0.00 0.00 58.31 55.76 2kvb n LYS 620 Cb 0.34 -0.71 -0.11 0.00 -0.02 0.00 0.00 35.03 34.52 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 1.14 0.08 2.13 1.51 -1.26 0.21 117.35 121.08 2kvb s TYR 621 Ca 0.00 -0.54 0.08 0.00 -1.01 0.00 0.00 57.07 55.59 2kvb s TYR 621 Cb 0.00 -0.63 -0.03 0.00 -0.11 0.00 0.00 41.96 41.19 2kvb s TYR 621 CO 0.00 0.04 -0.21 -1.83 -1.11 0.00 0.00 175.55 172.44 2kvb s GLU 622 N -2.23 1.25 -0.19 -0.62 -1.05 -0.23 -0.69 118.70 114.95 2kvb s GLU 622 Ca 0.01 -1.07 -0.01 0.00 -0.15 0.00 0.00 54.97 53.76 2kvb s GLU 622 Cb -0.07 -1.45 0.00 0.00 -0.44 0.00 0.00 34.13 32.17 2kvb s GLU 622 CO 0.01 0.35 -0.13 -0.06 0.95 0.00 0.00 175.26 176.38 2kvb s PHE 623 N -1.00 2.84 -0.19 4.83 0.40 0.81 -1.53 117.98 124.14 2kvb s PHE 623 Ca 0.07 -1.26 -0.04 0.00 -0.60 0.00 0.00 56.93 55.11 2kvb s PHE 623 Cb -0.09 -1.98 -0.02 0.00 0.51 0.00 0.00 43.02 41.44 2kvb s PHE 623 CO 0.03 -0.64 -0.05 -1.58 0.70 0.00 0.00 175.22 173.69 2kvb s HIS 624 N 1.25 2.96 0.04 0.36 2.46 0.18 0.45 115.29 122.98 2kvb s HIS 624 Ca 0.03 -0.70 -0.03 0.00 0.47 0.00 0.00 55.06 54.83 2kvb s HIS 624 Cb -0.14 -2.04 -0.02 0.00 -0.13 0.00 0.00 32.58 30.25 2kvb s HIS 624 CO -0.07 -0.36 0.04 0.96 -2.47 0.00 0.00 174.74 172.85 2kvb s ILE 625 N 1.06 0.14 0.13 0.89 -4.36 0.18 -1.14 121.20 118.11 2kvb s ILE 625 Ca 0.01 -1.19 0.06 0.00 -0.26 0.00 0.00 60.65 59.27 2kvb s ILE 625 Cb -0.15 -0.88 -0.04 0.00 1.25 0.00 0.00 42.46 42.65 2kvb s ILE 625 CO 0.00 -0.66 -0.14 0.21 0.24 0.00 0.00 174.94 174.60 2kvb s ASN 626 N -2.13 2.05 -0.42 4.36 2.47 -0.57 -0.24 114.94 120.47 2kvb s ASN 626 Ca -0.05 -0.86 -0.22 0.00 0.42 0.00 0.00 52.86 52.16 2kvb s ASN 626 Cb -0.01 -0.07 0.02 0.00 -1.45 0.00 0.00 41.25 39.74 2kvb s ASN 626 CO -0.05 -0.17 0.70 -0.69 -3.72 0.00 0.00 177.10 173.18 2kvb s VAL 627 N -2.36 4.77 0.10 -5.21 1.01 -1.26 -4.82 120.40 112.62 2kvb s VAL 627 Ca 0.11 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2kvb s VAL 627 Cb -0.04 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2kvb s VAL 627 CO 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 175.10 174.56 2kvb n GLY 629 N -1.42 0.57 3.98 0.00 0.00 0.26 -4.81 105.19 103.77 2kvb n GLY 629 Ca 0.00 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 45.01 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 2.25 -0.16 1.61 0.04 -1.26 -3.38 135.00 134.09 2kvb s PRO 630 Ca 0.00 -0.88 -0.05 0.00 0.04 0.00 0.00 61.00 60.11 2kvb s PRO 630 Cb 0.00 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 32.08 2kvb s PRO 630 CO 0.00 -0.97 -0.01 0.54 0.04 0.00 0.00 177.00 176.60 2kvb s VAL 631 N -2.90 4.17 -1.10 -0.36 0.11 0.26 -4.78 120.40 115.80 2kvb s VAL 631 Ca 0.60 -0.26 -0.11 0.00 -2.93 0.00 0.00 61.98 59.29 2kvb s VAL 631 Cb -0.09 -2.84 0.25 0.00 -1.53 0.00 0.00 36.38 32.17 2kvb s VAL 631 CO 0.41 0.48 1.15 -0.55 -3.33 0.00 0.00 175.10 173.26 2kvb s SER 632 N 0.35 7.21 -0.01 3.54 0.15 -0.95 -4.63 113.70 119.37 2kvb s SER 632 Ca -0.02 -3.37 0.02 0.00 0.70 0.00 0.00 55.95 53.28 2kvb s SER 632 Cb -0.14 -2.25 -0.00 0.00 -1.71 0.00 0.00 66.02 61.92 2kvb s SER 632 CO 0.02 -0.42 -0.06 0.54 1.20 0.00 0.00 173.24 174.52 2kvb s VAL 633 N -0.50 0.49 0.52 4.45 0.11 -1.26 -4.35 120.40 119.86 2kvb s VAL 633 Ca 0.32 -0.26 0.42 0.00 -2.93 0.00 0.00 61.98 59.53 2kvb s VAL 633 Cb -0.08 -0.42 0.43 0.00 -1.53 0.00 0.00 36.38 34.77 2kvb s VAL 633 CO -0.07 0.14 2.27 1.23 -3.33 0.00 0.00 175.10 175.35 2kvb h GLY 634 N 6.05 0.00 1.63 6.54 0.00 -1.99 -0.37 103.07 114.93 2kvb h GLY 634 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2kvb h GLY 634 CO 0.50 0.00 -0.17 0.00 0.00 0.00 0.00 176.54 176.87 2kvb n ALA 635 N -2.06 2.76 -2.63 3.60 0.00 -1.26 -4.85 120.51 116.07 2kvb n ALA 635 Ca -0.02 -0.19 -0.21 0.00 0.00 0.00 0.00 53.44 53.02 2kvb n ALA 635 Cb 0.10 -1.35 -0.14 0.00 0.00 0.00 0.00 19.45 18.07 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 -1.02 3.25 0.13 0.00 0.04 -1.26 -4.48 135.00 131.66 2kvb s PRO 637 Ca 0.02 1.49 0.12 0.00 0.04 0.00 0.00 61.00 62.67 2kvb s PRO 637 Cb -0.07 -2.00 0.57 0.00 0.04 0.00 0.00 34.50 33.03 2kvb s PRO 637 CO 0.01 -0.91 1.36 -2.30 0.04 0.00 0.00 177.00 175.20 2kvb n PRO 638 N -1.62 0.06 0.00 0.56 -0.02 -1.26 -1.39 135.00 131.33 2kvb n PRO 638 Ca 0.11 0.49 0.14 0.00 -2.02 0.00 0.00 63.50 62.22 2kvb n PRO 638 Cb 0.52 -1.68 0.60 0.00 -0.02 0.00 0.00 33.50 32.91 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 -1.81 0.32 -4.35 2.55 8.00 -1.26 -4.62 116.55 115.38 2kvb n ASP 639 Ca 0.00 -0.30 -0.28 0.00 0.71 0.00 0.00 54.79 54.92 2kvb n ASP 639 Cb 0.07 -0.14 -0.13 0.00 -0.02 0.00 0.00 41.12 40.89 2kvb n ASP 639 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2kvb s SER 640 N -2.63 3.06 -0.01 -2.24 0.01 -0.48 -0.50 113.70 110.91 2kvb s SER 640 Ca 0.25 -0.69 0.15 0.00 1.31 0.00 0.00 55.95 56.97 2kvb s SER 640 Cb 0.20 -0.21 -0.20 0.00 0.21 0.00 0.00 66.02 66.01 2kvb s SER 640 CO 0.50 0.17 0.51 0.61 0.41 0.00 0.00 173.24 175.44 2kvb n GLY 641 N 1.19 -0.55 2.86 3.44 0.00 -0.43 -0.57 105.19 111.13 2kvb n GLY 641 Ca -0.18 -0.40 -0.16 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.72 -0.19 -0.02 4.61 0.00 -1.01 -1.51 121.76 120.93 2kvb s ALA 642 Ca 0.01 0.59 -0.01 0.00 0.00 0.00 0.00 51.96 52.55 2kvb s ALA 642 Cb 0.11 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.55 2kvb s ALA 642 CO 0.63 -0.43 0.05 0.00 0.00 0.00 0.00 175.76 176.02 2kvb s GLN 644 N 0.49 2.79 -0.02 0.00 -2.07 -0.97 -0.65 119.66 119.24 2kvb s GLN 644 Ca -0.04 -0.60 0.01 0.00 -1.82 0.00 0.00 55.36 52.91 2kvb s GLN 644 Cb -0.05 -2.67 0.01 0.00 -1.09 0.00 0.00 33.01 29.20 2kvb s GLN 644 CO -0.02 0.63 -0.04 0.54 -1.32 0.00 0.00 175.29 175.08 2kvb s VAL 645 N -1.08 0.39 -0.31 3.63 0.11 -0.58 -0.89 120.40 121.66 2kvb s VAL 645 Ca 0.19 -0.15 -0.29 0.00 -2.93 0.00 0.00 61.98 58.81 2kvb s VAL 645 Cb -0.12 -0.37 0.01 0.00 -1.53 0.00 0.00 36.38 34.38 2kvb s VAL 645 CO 0.10 0.14 1.15 -0.94 -3.33 0.00 0.00 175.10 172.22 2kvb s SER 646 N 0.27 6.84 0.37 3.54 1.04 0.79 -1.06 113.70 125.50 2kvb s SER 646 Ca -0.03 1.10 0.28 0.00 0.48 0.00 0.00 55.95 57.78 2kvb s SER 646 Cb -0.06 -2.54 1.13 0.00 0.10 0.00 0.00 66.02 64.64 2kvb s SER 646 CO -0.00 -0.95 1.82 0.08 0.98 0.00 0.00 173.24 175.17 2kvb h ARG 647 N 8.50 0.00 0.04 4.02 0.11 -0.56 0.50 114.38 126.99 2kvb h ARG 647 Ca -0.23 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.78 2kvb h ARG 647 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.16 2kvb h ARG 647 CO 1.03 0.00 -0.33 0.77 0.10 0.00 0.00 179.97 181.54 2kvb h SER 648 N 0.00 0.13 0.00 0.08 0.02 -1.83 -3.41 113.55 108.54 2kvb h SER 648 Ca 0.00 -0.95 0.00 0.00 -0.84 0.00 0.00 61.79 60.00 2kvb h SER 648 Cb 0.43 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2kvb h SER 648 CO 0.00 1.15 -1.75 0.47 -1.14 0.00 0.00 176.83 175.57 2kvb n ASP 649 N -4.45 0.98 -0.86 3.07 8.00 -1.10 -4.98 116.55 117.22 2kvb n ASP 649 Ca -0.13 -0.05 -0.09 0.00 0.71 0.00 0.00 54.79 55.24 2kvb n ASP 649 Cb 0.59 1.76 -0.02 0.00 -0.02 0.00 0.00 41.12 43.43 2kvb n ASP 649 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kvb n ARG 650 N -2.07 -0.65 -3.27 -1.24 5.12 0.17 -5.00 116.66 109.73 2kvb n ARG 650 Ca -0.03 0.57 -0.39 0.00 -1.93 0.00 0.00 57.85 56.07 2kvb n ARG 650 Cb 0.45 -4.50 -0.06 0.00 -1.16 0.00 0.00 32.46 27.19 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 -3.77 4.24 0.04 5.56 -0.14 -1.25 -4.83 119.74 119.58 2kvb s LYS 651 Ca 0.00 0.69 0.04 0.00 -1.36 0.00 0.00 55.97 55.34 2kvb s LYS 651 Cb 0.00 -3.30 -0.02 0.00 -1.68 0.00 0.00 37.83 32.83 2kvb s LYS 651 CO 0.00 0.49 -0.11 -1.54 -0.76 0.00 0.00 175.35 173.43 2kvb s SER 652 N -0.58 1.33 0.15 2.83 1.04 -1.26 -0.15 113.70 117.07 2kvb s SER 652 Ca 0.29 -0.47 0.06 0.00 0.48 0.00 0.00 55.95 56.31 2kvb s SER 652 Cb -0.18 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.84 2kvb s SER 652 CO 0.17 -0.05 -0.14 0.26 0.98 0.00 0.00 173.24 174.47 2kvb s TRP 653 N -0.98 1.49 -0.22 5.02 0.51 -0.07 -4.99 118.94 119.69 2kvb s TRP 653 Ca -0.02 -0.60 -0.15 0.00 -2.12 0.00 0.00 56.10 53.20 2kvb s TRP 653 Cb -0.08 -0.74 -0.04 0.00 -0.81 0.00 0.00 33.47 31.80 2kvb s TRP 653 CO 0.01 0.20 0.38 1.21 -0.51 0.00 0.00 176.95 178.24 2kvb s ASN 654 N -2.88 6.37 -0.04 2.95 3.84 -1.26 -2.28 114.94 121.64 2kvb s ASN 654 Ca 0.15 0.44 0.12 0.00 0.21 0.00 0.00 52.86 53.78 2kvb s ASN 654 Cb -0.02 -2.22 0.36 0.00 -0.55 0.00 0.00 41.25 38.82 2kvb s ASN 654 CO 0.04 -0.10 1.30 0.18 -2.79 0.00 0.00 177.10 175.72 2kvb n LEU 655 N 4.69 3.15 0.00 3.21 4.77 0.13 -1.69 117.00 131.26 2kvb n LEU 655 Ca -0.09 -2.22 0.00 0.00 -0.03 0.00 0.00 56.01 53.67 2kvb n LEU 655 Cb 0.51 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2kvb n LEU 655 CO 0.39 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 2kvb n GLY 656 N 0.31 3.23 3.72 -0.72 0.00 -1.19 -1.51 105.19 109.03 2kvb n GLY 656 Ca 0.14 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.73 0.71 0.25 1.61 0.52 -1.26 -1.31 118.95 117.74 2kvb s ARG 657 Ca 0.00 0.43 -0.31 0.00 -0.52 0.00 0.00 55.73 55.33 2kvb s ARG 657 Cb 0.00 -1.78 -0.13 0.00 0.52 0.00 0.00 34.95 33.57 2kvb s ARG 657 CO 0.00 -2.52 1.53 -1.13 0.02 0.00 0.00 175.30 173.19 2kvb n SER 658 N -4.02 3.35 -3.65 0.23 3.41 0.35 -3.84 113.62 109.46 2kvb n SER 658 Ca 0.06 1.13 -0.07 0.00 -0.26 0.00 0.00 58.87 59.73 2kvb n SER 658 Cb 0.58 -1.51 -0.02 0.00 -0.26 0.00 0.00 64.21 63.00 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 0.50 -0.32 0.00 4.04 2.47 -1.22 -4.85 114.94 115.57 2kvb s ASN 659 Ca 0.68 -0.26 0.02 0.00 0.42 0.00 0.00 52.86 53.72 2kvb s ASN 659 Cb -0.57 0.53 0.04 0.00 -1.45 0.00 0.00 41.25 39.79 2kvb s ASN 659 CO 0.47 -0.93 0.92 0.00 -3.72 0.00 0.00 177.10 173.84 2kvb n ALA 660 N -0.39 2.07 -2.59 1.71 0.00 -1.26 -0.58 120.51 119.46 2kvb n ALA 660 Ca -0.08 -0.92 -0.42 0.00 0.00 0.00 0.00 53.44 52.01 2kvb n ALA 660 Cb 0.61 -0.42 -0.03 0.00 0.00 0.00 0.00 19.45 19.61 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 0.00 3.49 0.09 0.00 -0.14 -1.26 -0.12 119.74 121.80 2kvb s LYS 661 Ca 0.03 0.16 -0.22 0.00 -1.36 0.00 0.00 55.97 54.57 2kvb s LYS 661 Cb 0.03 -4.01 -0.07 0.00 -1.68 0.00 0.00 37.83 32.10 2kvb s LYS 661 CO -0.01 -1.62 0.68 -0.51 -0.76 0.00 0.00 175.35 173.12 2kvb s LEU 662 N 4.71 4.52 0.09 3.17 1.02 -1.07 -3.23 118.68 127.89 2kvb s LEU 662 Ca 0.41 1.41 0.10 0.00 0.02 0.00 0.00 54.13 56.07 2kvb s LEU 662 Cb -0.08 -3.09 -0.04 0.00 0.02 0.00 0.00 46.19 43.00 2kvb s LEU 662 CO 0.25 0.19 -0.24 -0.44 0.02 0.00 0.00 176.35 176.12 2kvb s SER 663 N -0.82 3.42 -0.20 2.29 0.01 0.12 -0.89 113.70 117.62 2kvb s SER 663 Ca 0.33 -0.64 -0.01 0.00 1.31 0.00 0.00 55.95 56.94 2kvb s SER 663 Cb -0.21 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.69 2kvb s SER 663 CO 0.22 0.21 -0.12 -0.47 0.41 0.00 0.00 173.24 173.49 2kvb s TYR 664 N -0.98 2.87 -0.08 2.43 6.14 0.20 -0.22 117.35 127.70 2kvb s TYR 664 Ca 0.14 -1.26 -0.03 0.00 0.64 0.00 0.00 57.07 56.56 2kvb s TYR 664 Cb -0.10 -2.01 -0.04 0.00 0.42 0.00 0.00 41.96 40.24 2kvb s TYR 664 CO 0.05 -0.66 0.05 0.71 0.64 0.00 0.00 175.55 176.34 2kvb s TYR 665 N 1.34 3.28 -0.22 4.97 2.02 -1.01 -0.12 117.35 127.63 2kvb s TYR 665 Ca 0.05 0.27 -0.37 0.00 -0.37 0.00 0.00 57.07 56.64 2kvb s TYR 665 Cb -0.14 -1.81 -0.14 0.00 -0.40 0.00 0.00 41.96 39.47 2kvb s TYR 665 CO -0.07 0.55 1.84 -3.47 -1.57 0.00 0.00 175.55 172.82 2kvb n ASP 666 N 1.93 2.78 0.00 2.29 2.03 -1.04 -1.38 116.55 123.16 2kvb n ASP 666 Ca -0.18 0.98 0.00 0.00 0.52 0.00 0.00 54.79 56.11 2kvb n ASP 666 Cb 0.54 -1.24 0.00 0.00 -0.72 0.00 0.00 41.12 39.70 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 4.49 3.35 3.40 0.27 0.00 -1.26 -5.05 105.19 110.39 2kvb n GLY 667 Ca 0.26 -0.95 -0.15 0.00 0.00 0.00 0.00 46.02 45.18 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 0.95 0.24 1.61 0.23 -0.48 -5.06 119.30 116.80 2kvb s MET 668 Ca 0.00 -0.07 -0.30 0.00 -1.03 0.00 0.00 55.69 54.29 2kvb s MET 668 Cb 0.00 0.44 -0.09 0.00 -1.53 0.00 0.00 34.83 33.65 2kvb s MET 668 CO 0.00 -0.31 1.02 0.42 -2.03 0.00 0.00 175.02 174.11 2kvb s ILE 669 N -1.78 3.86 0.02 3.16 1.09 -1.26 -2.39 121.20 123.90 2kvb s ILE 669 Ca -0.09 1.82 0.02 0.00 -1.10 0.00 0.00 60.65 61.30 2kvb s ILE 669 Cb -0.01 -4.16 -0.01 0.00 -1.06 0.00 0.00 42.46 37.21 2kvb s ILE 669 CO 0.04 0.42 -0.07 -1.10 -0.10 0.00 0.00 174.94 174.12 2kvb s GLN 670 N -1.13 0.50 -0.08 2.79 -0.21 0.69 -1.18 119.66 121.03 2kvb s GLN 670 Ca 0.43 -0.43 0.04 0.00 0.02 0.00 0.00 55.36 55.42 2kvb s GLN 670 Cb -0.28 -0.40 -0.01 0.00 1.00 0.00 0.00 33.01 33.32 2kvb s GLN 670 CO 0.36 0.10 -0.22 -1.17 -2.12 0.00 0.00 175.29 172.24 2kvb s LEU 671 N -0.72 2.25 -0.09 2.90 0.20 -0.37 0.10 118.68 122.95 2kvb s LEU 671 Ca -0.03 -0.47 0.01 0.00 0.69 0.00 0.00 54.13 54.34 2kvb s LEU 671 Cb -0.05 -1.45 -0.02 0.00 -0.43 0.00 0.00 46.19 44.24 2kvb s LEU 671 CO 0.00 0.21 -0.12 -0.89 -0.29 0.00 0.00 176.35 175.26 2kvb s THR 672 N 0.06 3.19 0.52 3.68 2.01 -1.20 -1.09 115.64 122.81 2kvb s THR 672 Ca -0.09 -0.65 0.08 0.00 0.31 0.00 0.00 61.69 61.34 2kvb s THR 672 Cb -0.15 -2.30 0.04 0.00 0.01 0.00 0.00 72.50 70.10 2kvb s THR 672 CO 0.06 0.56 0.56 -0.31 -0.69 0.00 0.00 174.62 174.80 2kvb s TYR 673 N -0.26 1.83 1.06 4.92 2.02 -0.26 -4.48 117.35 122.18 2kvb s TYR 673 Ca 0.02 -0.70 -0.17 0.00 -0.37 0.00 0.00 57.07 55.85 2kvb s TYR 673 Cb -0.13 -2.11 0.23 0.00 -0.40 0.00 0.00 41.96 39.55 2kvb s TYR 673 CO 0.03 -0.67 1.22 1.03 -1.57 0.00 0.00 175.55 175.59 2kvb s ARG 674 N -4.41 -0.12 0.47 -0.62 1.81 -1.25 -4.47 118.95 110.36 2kvb s ARG 674 Ca 0.49 -0.23 0.22 0.00 -1.72 0.00 0.00 55.73 54.50 2kvb s ARG 674 Cb -0.04 -1.74 1.24 0.00 -0.45 0.00 0.00 34.95 33.95 2kvb s ARG 674 CO 0.30 -2.95 1.90 0.38 -0.68 0.00 0.00 175.30 174.26 2kvb h ASP 675 N -2.03 0.22 0.00 0.23 2.03 -1.92 -3.35 116.42 111.60 2kvb h ASP 675 Ca -0.45 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 2kvb h ASP 675 Cb 1.27 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 2kvb h ASP 675 CO 0.38 0.10 0.00 0.61 -1.03 0.00 0.00 179.24 179.30 2kvb n GLY 676 N -1.59 3.89 3.20 7.15 0.00 -1.24 -1.67 105.19 114.92 2kvb n GLY 676 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 1.88 0.60 2.61 2.01 -0.68 -4.87 115.64 117.19 2kvb s THR 677 Ca 0.00 -0.93 -0.16 0.00 0.31 0.00 0.00 61.69 60.91 2kvb s THR 677 Cb 0.00 -1.63 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 2kvb s THR 677 CO 0.00 0.52 1.08 -2.16 -0.69 0.00 0.00 174.62 173.37 2kvb s PRO 678 N 0.26 3.18 0.00 4.92 0.04 -1.26 -2.78 135.00 139.36 2kvb s PRO 678 Ca -0.14 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.21 2kvb s PRO 678 Cb -0.16 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.37 2kvb s PRO 678 CO 0.07 -0.94 0.19 0.66 0.04 0.00 0.00 177.00 177.02 2kvb n TYR 679 N -2.03 0.00 0.00 0.56 4.02 -0.16 -4.85 117.16 114.69 2kvb n TYR 679 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 2kvb n TYR 679 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 2kvb n TYR 679 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2kvb n ASN 680 N -0.39 0.00 -4.81 7.72 0.23 -1.26 -5.05 115.26 111.70 2kvb n ASN 680 Ca 0.00 0.00 -0.22 0.00 -0.53 0.00 0.00 54.58 53.83 2kvb n ASN 680 Cb 0.00 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.65 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 5.10 0.40 0.53 2.20 -1.26 -5.01 114.94 116.90 2kvb s ASN 681 Ca 0.00 -0.57 0.08 0.00 -0.94 0.00 0.00 52.86 51.43 2kvb s ASN 681 Cb 0.00 -0.92 0.84 0.00 -2.00 0.00 0.00 41.25 39.17 2kvb s ASN 681 CO 0.00 -0.31 2.01 -0.08 -2.94 0.00 0.00 177.10 175.78 2kvb h GLU 682 N 1.37 0.43 0.00 3.55 4.81 -2.03 -1.36 114.58 121.35 2kvb h GLU 682 Ca -0.45 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 58.62 2kvb h GLU 682 Cb 1.25 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 2kvb h GLU 682 CO 0.60 0.36 -0.54 -0.22 -0.73 0.00 0.00 179.01 178.48 2kvb h LYS 683 N 0.44 0.00 -4.49 1.92 3.64 -2.05 -3.49 116.57 112.54 2kvb h LYS 683 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2kvb h LYS 683 Cb 0.09 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.84 2kvb h LYS 683 CO -0.01 0.54 -1.01 0.54 -2.27 0.00 0.00 179.45 177.23 2kvb n ARG 684 N -3.42 -3.08 -3.54 1.90 1.74 -0.52 -5.00 116.66 104.74 2kvb n ARG 684 Ca 0.00 2.50 -0.41 0.00 -0.77 0.00 0.00 57.85 59.17 2kvb n ARG 684 Cb 0.66 -4.07 -0.11 0.00 -1.02 0.00 0.00 32.46 27.92 2kvb n ARG 684 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2kvb s THR 685 N -0.75 5.08 0.28 0.55 2.01 -1.26 -4.94 115.64 116.60 2kvb s THR 685 Ca -0.13 -0.42 -0.30 0.00 0.31 0.00 0.00 61.69 61.15 2kvb s THR 685 Cb 0.01 -3.68 -0.10 0.00 0.01 0.00 0.00 72.50 68.74 2kvb s THR 685 CO 0.58 -0.09 1.43 -2.16 -0.69 0.00 0.00 174.62 173.69 2kvb s PRO 686 N 1.67 4.26 -0.23 4.92 0.04 -1.26 -0.99 135.00 143.41 2kvb s PRO 686 Ca 0.05 2.33 -0.18 0.00 0.04 0.00 0.00 61.00 63.24 2kvb s PRO 686 Cb -0.18 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.25 2kvb s PRO 686 CO 0.09 -0.40 0.51 1.03 0.04 0.00 0.00 177.00 178.26 2kvb s ARG 687 N -0.77 4.13 0.22 4.56 0.52 -0.67 -4.75 118.95 122.19 2kvb s ARG 687 Ca 0.57 0.35 0.06 0.00 -0.52 0.00 0.00 55.73 56.19 2kvb s ARG 687 Cb -0.42 -3.60 -0.05 0.00 0.52 0.00 0.00 34.95 31.39 2kvb s ARG 687 CO 0.47 -0.24 -0.09 0.00 0.02 0.00 0.00 175.30 175.46 2kvb s ALA 688 N 1.95 1.95 -0.09 2.13 0.00 -1.16 -3.55 121.76 122.98 2kvb s ALA 688 Ca 0.22 -1.70 0.02 0.00 0.00 0.00 0.00 51.96 50.49 2kvb s ALA 688 Cb -0.15 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 2kvb s ALA 688 CO 0.09 -0.05 -0.13 0.99 0.00 0.00 0.00 175.76 176.66 2kvb s THR 689 N -3.13 3.11 -0.17 0.00 2.01 -0.57 0.52 115.64 117.41 2kvb s THR 689 Ca 0.24 -0.67 0.00 0.00 0.31 0.00 0.00 61.69 61.57 2kvb s THR 689 Cb 0.02 -2.26 0.04 0.00 0.01 0.00 0.00 72.50 70.30 2kvb s THR 689 CO 0.07 0.56 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.24 2kvb s LEU 690 N -0.19 1.86 -0.20 4.42 1.98 0.21 -1.10 118.68 125.67 2kvb s LEU 690 Ca 0.00 -0.68 -0.08 0.00 -2.89 0.00 0.00 54.13 50.48 2kvb s LEU 690 Cb -0.13 -1.10 -0.04 0.00 0.66 0.00 0.00 46.19 45.58 2kvb s LEU 690 CO 0.03 -0.13 0.08 -0.63 -1.89 0.00 0.00 176.35 173.81 2kvb s ILE 691 N 1.51 4.83 -0.21 6.68 1.01 -0.25 -1.07 121.20 133.70 2kvb s ILE 691 Ca 0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 60.65 60.55 2kvb s ILE 691 Cb -0.15 -3.20 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 2kvb s ILE 691 CO -0.09 0.43 0.12 0.42 0.00 0.00 0.00 174.94 175.83 2kvb s THR 692 N 0.58 5.22 -0.26 2.92 -4.23 0.11 -1.24 115.64 118.74 2kvb s THR 692 Ca 0.04 0.13 -0.09 0.00 -1.18 0.00 0.00 61.69 60.59 2kvb s THR 692 Cb -0.13 -3.40 -0.04 0.00 1.34 0.00 0.00 72.50 70.28 2kvb s THR 692 CO 0.01 0.40 0.12 -0.36 -0.54 0.00 0.00 174.62 174.25 2kvb s PHE 693 N 0.68 3.14 0.15 3.99 0.08 -0.32 -0.29 117.98 125.41 2kvb s PHE 693 Ca 0.07 -0.19 0.08 0.00 0.12 0.00 0.00 56.93 57.01 2kvb s PHE 693 Cb -0.12 -2.29 -0.04 0.00 -0.57 0.00 0.00 43.02 40.00 2kvb s PHE 693 CO 0.01 -0.26 -0.11 -0.51 -0.10 0.00 0.00 175.22 174.25 2kvb s LEU 694 N 1.63 2.95 -0.36 -0.37 2.01 0.11 -4.07 118.68 120.58 2kvb s LEU 694 Ca 0.07 -0.51 -0.29 0.00 0.01 0.00 0.00 54.13 53.40 2kvb s LEU 694 Cb -0.15 -1.70 0.02 0.00 0.01 0.00 0.00 46.19 44.37 2kvb s LEU 694 CO 0.06 0.14 1.09 0.00 1.01 0.00 0.00 176.35 178.65 2kvb s ASP 696 N 1.86 -0.13 -0.03 0.00 2.15 -1.21 -4.90 116.67 114.41 2kvb s ASP 696 Ca 0.46 0.20 -0.00 0.00 0.43 0.00 0.00 52.55 53.63 2kvb s ASP 696 Cb -0.11 0.34 -0.00 0.00 -0.30 0.00 0.00 42.92 42.85 2kvb s ASP 696 CO 0.20 -0.18 -0.00 -0.09 -0.17 0.00 0.00 175.17 174.92 2kvb h ARG 697 N 5.25 0.00 -6.06 4.34 9.65 -1.94 -2.76 114.38 122.87 2kvb h ARG 697 Ca -0.27 0.00 -0.60 0.00 -1.10 0.00 0.00 59.98 58.00 2kvb h ARG 697 Cb 1.19 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 29.67 2kvb h ARG 697 CO 0.39 0.00 0.53 0.34 2.80 0.00 0.00 179.97 184.03 2kvb s ASP 698 N -3.83 6.52 0.00 -3.80 2.15 -1.26 -3.17 116.67 113.28 2kvb s ASP 698 Ca -0.00 0.17 0.00 0.00 0.43 0.00 0.00 52.55 53.15 2kvb s ASP 698 Cb 0.00 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2kvb s ASP 698 CO 0.01 -0.97 0.00 0.00 -0.17 0.00 0.00 175.17 174.03 2kvb n ALA 699 N 6.98 0.00 -0.23 3.66 0.00 -1.26 -5.05 120.51 124.61 2kvb n ALA 699 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2kvb n ALA 699 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 1.72 0.29 0.00 0.00 -1.19 -2.23 105.19 103.78 2kvb n GLY 700 Ca 0.00 0.08 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 1.25 0.00 1.61 3.04 -1.92 -2.61 116.25 117.62 2kvb h VAL 701 Ca 0.00 -1.00 0.00 0.00 -1.01 0.00 0.00 66.70 64.69 2kvb h VAL 701 Cb 0.00 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 30.10 2kvb h VAL 701 CO 0.00 0.36 0.00 0.61 -1.01 0.00 0.00 177.57 177.53 2kvb n GLY 702 N -0.64 -0.57 3.19 3.17 0.00 -0.95 -4.65 105.19 104.74 2kvb n GLY 702 Ca 0.03 -1.60 -0.25 0.00 0.00 0.00 0.00 46.02 44.19 2kvb n GLY 702 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kvb s PHE 703 N -3.04 1.65 0.25 1.61 -0.71 -1.23 -4.96 117.98 111.55 2kvb s PHE 703 Ca 0.00 -0.32 -0.21 0.00 -1.04 0.00 0.00 56.93 55.36 2kvb s PHE 703 Cb 0.00 -1.05 -0.09 0.00 -1.21 0.00 0.00 43.02 40.67 2kvb s PHE 703 CO 0.00 -0.02 0.79 -1.25 -1.34 0.00 0.00 175.22 173.40 2kvb s PRO 704 N -0.51 4.34 -0.01 1.99 0.04 -1.26 -2.95 135.00 136.64 2kvb s PRO 704 Ca 0.07 0.99 0.06 0.00 0.04 0.00 0.00 61.00 62.17 2kvb s PRO 704 Cb -0.07 -2.85 -0.02 0.00 0.04 0.00 0.00 34.50 31.60 2kvb s PRO 704 CO -0.00 0.36 -0.20 -2.00 0.04 0.00 0.00 177.00 175.19 2kvb s GLU 705 N -2.00 1.63 -0.08 4.56 2.56 0.16 -4.62 118.70 120.91 2kvb s GLU 705 Ca 0.45 -0.73 -0.29 0.00 0.00 0.00 0.00 54.97 54.40 2kvb s GLU 705 Cb -0.17 -1.58 -0.02 0.00 2.00 0.00 0.00 34.13 34.36 2kvb s GLU 705 CO 0.22 0.43 0.97 -0.47 -0.56 0.00 0.00 175.26 175.85 2kvb s TYR 706 N -0.49 3.56 0.00 5.30 5.04 -1.26 0.42 117.35 129.92 2kvb s TYR 706 Ca 0.08 1.59 0.00 0.00 -2.44 0.00 0.00 57.07 56.29 2kvb s TYR 706 Cb -0.08 -3.14 0.00 0.00 0.35 0.00 0.00 41.96 39.10 2kvb s TYR 706 CO -0.01 -0.14 0.00 1.04 -1.34 0.00 0.00 175.55 175.10 2kvb n GLN 707 N 4.62 0.00 -3.64 4.97 1.13 -0.71 -4.90 117.38 118.85 2kvb n GLN 707 Ca 0.07 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.08 2kvb n GLN 707 Cb 0.50 -0.18 -0.06 0.00 0.11 0.00 0.00 30.24 30.60 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 -0.37 0.65 -0.09 -1.09 -1.05 -1.21 -5.04 118.70 110.49 2kvb s GLU 708 Ca 0.00 1.20 -0.25 0.00 -0.15 0.00 0.00 54.97 55.78 2kvb s GLU 708 Cb 0.00 0.26 -0.03 0.00 -0.44 0.00 0.00 34.13 33.92 2kvb s GLU 708 CO 0.00 -0.15 0.77 -2.00 0.95 0.00 0.00 175.26 174.83 2kvb s GLU 709 N 1.83 4.40 0.01 -4.83 -6.30 -1.26 -2.88 118.70 109.68 2kvb s GLU 709 Ca -0.09 0.97 0.00 0.00 -2.50 0.00 0.00 54.97 53.35 2kvb s GLU 709 Cb -0.06 -3.49 0.00 0.00 0.00 0.00 0.00 34.13 30.58 2kvb s GLU 709 CO -0.19 -0.07 0.00 -3.47 0.02 0.00 0.00 175.26 171.55 2kvb n ASP 710 N 4.25 -0.09 -1.50 -1.70 -0.08 -1.25 -4.90 116.55 111.28 2kvb n ASP 710 Ca 0.01 0.03 -0.07 0.00 -1.51 0.00 0.00 54.79 53.25 2kvb n ASP 710 Cb 0.51 0.35 0.13 0.00 2.34 0.00 0.00 41.12 44.45 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 -2.53 3.42 0.00 1.67 0.23 -1.26 -4.79 115.26 112.00 2kvb n ASN 711 Ca 0.00 -2.72 0.00 0.00 -0.53 0.00 0.00 54.58 51.33 2kvb n ASN 711 Cb 0.00 -0.65 0.00 0.00 -2.08 0.00 0.00 39.78 37.05 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 -0.13 0.00 -4.19 0.53 3.41 -1.26 -4.95 113.62 107.03 2kvb n SER 712 Ca 0.26 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.58 2kvb n SER 712 Cb 0.99 -0.99 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 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 -2.73 1.68 -0.24 6.66 2.01 -1.26 -3.00 115.64 118.75 2kvb s THR 713 Ca 0.00 -0.86 -0.27 0.00 0.31 0.00 0.00 61.69 60.88 2kvb s THR 713 Cb 0.00 -1.43 0.00 0.00 0.01 0.00 0.00 72.50 71.08 2kvb s THR 713 CO 0.00 0.48 0.94 -0.31 -0.69 0.00 0.00 174.62 175.03 2kvb s TYR 714 N -0.04 3.32 -0.22 4.92 1.51 0.18 -3.81 117.35 123.21 2kvb s TYR 714 Ca -0.04 1.30 -0.10 0.00 -1.01 0.00 0.00 57.07 57.22 2kvb s TYR 714 Cb -0.12 -3.17 -0.05 0.00 -0.11 0.00 0.00 41.96 38.50 2kvb s TYR 714 CO 0.03 -0.45 0.14 -0.80 -1.11 0.00 0.00 175.55 173.36 2kvb s ASN 715 N 1.28 6.11 0.01 2.29 -0.87 -1.14 0.65 114.94 123.27 2kvb s ASN 715 Ca 0.39 0.15 0.05 0.00 -1.57 0.00 0.00 52.86 51.89 2kvb s ASN 715 Cb -0.15 -2.09 -0.03 0.00 -0.02 0.00 0.00 41.25 38.96 2kvb s ASN 715 CO 0.07 0.11 -0.15 -0.36 -2.57 0.00 0.00 177.10 174.20 2kvb s PHE 716 N 0.77 2.65 -0.28 2.20 0.40 -0.23 -1.73 117.98 121.77 2kvb s PHE 716 Ca 0.07 -0.19 -0.09 0.00 -0.60 0.00 0.00 56.93 56.12 2kvb s PHE 716 Cb -0.13 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 41.85 2kvb s PHE 716 CO 0.02 0.25 0.13 0.50 0.70 0.00 0.00 175.22 176.82 2kvb s ARG 717 N -1.25 3.60 -0.20 0.44 3.52 0.17 0.05 118.95 125.28 2kvb s ARG 717 Ca 0.14 -0.53 0.00 0.00 -0.13 0.00 0.00 55.73 55.21 2kvb s ARG 717 Cb -0.11 -3.49 0.02 0.00 -1.56 0.00 0.00 34.95 29.82 2kvb s ARG 717 CO 0.04 -0.27 -0.15 -0.46 -0.81 0.00 0.00 175.30 173.66 2kvb s TRP 718 N 1.65 2.88 -0.47 5.12 -0.11 0.61 0.39 118.94 129.01 2kvb s TRP 718 Ca 0.06 -1.57 -0.20 0.00 1.22 0.00 0.00 56.10 55.61 2kvb s TRP 718 Cb -0.16 -1.97 0.04 0.00 -1.50 0.00 0.00 33.47 29.88 2kvb s TRP 718 CO 0.06 -0.76 0.62 0.71 -4.62 0.00 0.00 176.95 172.96 2kvb s TYR 719 N 1.31 3.06 0.00 5.86 2.02 -1.15 0.06 117.35 128.50 2kvb s TYR 719 Ca 0.03 -0.33 -0.00 0.00 -0.37 0.00 0.00 57.07 56.41 2kvb s TYR 719 Cb -0.14 -3.39 -0.00 0.00 -0.40 0.00 0.00 41.96 38.02 2kvb s TYR 719 CO -0.10 -0.94 0.00 -0.08 -1.57 0.00 0.00 175.55 172.87 2kvb s THR 720 N 2.67 0.01 0.17 -0.71 -1.32 -0.30 -3.57 115.64 112.60 2kvb s THR 720 Ca 0.18 -0.10 0.22 0.00 -1.21 0.00 0.00 61.69 60.78 2kvb s THR 720 Cb -0.17 -0.05 0.21 0.00 -1.51 0.00 0.00 72.50 70.98 2kvb s THR 720 CO 0.15 -0.06 1.81 -1.28 -2.21 0.00 0.00 174.62 173.04 2kvb h SER 721 N 5.97 0.00 0.55 8.08 0.87 -1.15 -3.17 113.55 124.70 2kvb h SER 721 Ca -0.25 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.26 2kvb h SER 721 Cb 1.21 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.16 2kvb h SER 721 CO 0.50 0.26 -0.26 1.88 -0.53 0.00 0.00 176.83 178.68 2kvb h TYR 722 N 0.00 0.00 -0.37 2.24 -1.99 -1.88 -1.84 116.97 113.13 2kvb h TYR 722 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2kvb h TYR 722 Cb 0.76 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.49 2kvb h TYR 722 CO 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 178.16 178.42 2kvb n ALA 723 N -2.33 2.61 -2.46 3.88 0.00 -1.20 -4.79 120.51 116.22 2kvb n ALA 723 Ca -0.01 -0.75 -0.29 0.00 0.00 0.00 0.00 53.44 52.39 2kvb n ALA 723 Cb 0.37 -0.99 -0.16 0.00 0.00 0.00 0.00 19.45 18.67 2kvb n ALA 723 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50