#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 3.07 0.50 0.62 0.00 -1.26 -4.85 121.76 119.84 2kvb s ALA 579 Ca 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 51.96 49.26 2kvb s ALA 579 Cb 0.00 -4.62 0.00 0.00 0.00 0.00 0.00 23.12 18.50 2kvb s ALA 579 CO 0.00 -3.50 0.00 0.39 0.00 0.00 0.00 175.76 172.65 2kvb n GLU 580 N 8.51 -3.02 -3.33 0.00 1.02 -1.26 -5.03 120.64 117.53 2kvb n GLU 580 Ca 0.45 2.33 0.02 0.00 -0.02 0.00 0.00 57.16 59.94 2kvb n GLU 580 Cb 0.47 -3.57 -0.03 0.00 -0.02 0.00 0.00 31.44 28.28 2kvb n GLU 580 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kvb s ALA 581 N -3.52 -2.83 -0.10 0.62 0.00 -1.26 -5.06 121.76 109.60 2kvb s ALA 581 Ca 0.00 1.91 -0.12 0.00 0.00 0.00 0.00 51.96 53.75 2kvb s ALA 581 Cb 0.00 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 2kvb s ALA 581 CO 0.00 -1.07 -0.23 0.39 0.00 0.00 0.00 175.76 174.84 2kvb n GLU 582 N 5.09 0.36 -3.77 0.00 1.02 -1.26 -4.84 120.64 117.23 2kvb n GLU 582 Ca -0.08 0.14 -0.35 0.00 -0.02 0.00 0.00 57.16 56.85 2kvb n GLU 582 Cb 0.53 -1.11 -0.11 0.00 -0.02 0.00 0.00 31.44 30.73 2kvb n GLU 582 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2kvb s PHE 583 N -2.49 3.37 -0.06 -0.32 5.36 -1.26 -5.01 117.98 117.56 2kvb s PHE 583 Ca -0.19 -2.87 -0.20 0.00 -0.96 0.00 0.00 56.93 52.71 2kvb s PHE 583 Cb 0.03 -3.10 0.04 0.00 -0.34 0.00 0.00 43.02 39.65 2kvb s PHE 583 CO 0.29 -0.80 0.46 -1.17 -1.46 0.00 0.00 175.22 172.54 2kvb s LEU 584 N -0.25 0.25 -0.92 6.12 2.96 -1.26 -5.08 118.68 120.49 2kvb s LEU 584 Ca 0.18 0.48 -0.24 0.00 -0.22 0.00 0.00 54.13 54.33 2kvb s LEU 584 Cb -0.21 1.73 -0.05 0.00 0.50 0.00 0.00 46.19 48.16 2kvb s LEU 584 CO -0.03 -0.43 1.96 -0.44 -1.32 0.00 0.00 176.35 176.09 2kvb s SER 585 N -0.91 5.10 -0.02 3.68 0.01 -1.26 -4.91 113.70 115.39 2kvb s SER 585 Ca -0.10 -0.73 0.08 0.00 1.31 0.00 0.00 55.95 56.51 2kvb s SER 585 Cb -0.03 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 2kvb s SER 585 CO 0.05 -2.80 -0.26 -0.13 0.41 0.00 0.00 173.24 170.51 2kvb s ARG 586 N 7.02 2.11 -0.00 12.44 0.52 -1.25 -1.55 118.95 138.23 2kvb s ARG 586 Ca 0.71 -0.93 0.01 0.00 -0.52 0.00 0.00 55.73 55.00 2kvb s ARG 586 Cb -0.06 -2.03 -0.00 0.00 0.52 0.00 0.00 34.95 33.37 2kvb s ARG 586 CO 0.00 0.55 -0.05 -0.08 0.02 0.00 0.00 175.30 175.75 2kvb s THR 587 N -0.60 0.36 -0.17 0.02 -1.32 -0.90 -4.93 115.64 108.11 2kvb s THR 587 Ca 0.10 -0.20 -0.04 0.00 -1.21 0.00 0.00 61.69 60.34 2kvb s THR 587 Cb -0.10 -0.31 -0.03 0.00 -1.51 0.00 0.00 72.50 70.55 2kvb s THR 587 CO -0.01 0.10 -0.03 -0.70 -2.21 0.00 0.00 174.62 171.78 2kvb s GLU 588 N -0.10 3.65 0.23 7.08 2.12 -1.26 -1.04 118.70 129.37 2kvb s GLU 588 Ca 0.02 -0.52 -0.07 0.00 0.36 0.00 0.00 54.97 54.75 2kvb s GLU 588 Cb -0.02 -2.96 -0.06 0.00 0.26 0.00 0.00 34.13 31.35 2kvb s GLU 588 CO -0.00 0.17 0.51 0.20 -0.54 0.00 0.00 175.26 175.60 2kvb s GLY 589 N 0.57 2.12 -0.15 -1.50 0.00 0.16 -4.93 107.32 103.59 2kvb s GLY 589 Ca -0.02 -0.44 -0.23 0.00 0.00 0.00 0.00 44.72 44.03 2kvb s GLY 589 CO 0.02 -0.32 0.55 -1.80 0.00 0.00 0.00 173.10 171.55 2kvb h ASP 590 N 2.30 0.11 -3.99 1.64 3.58 -1.83 -3.19 116.42 115.04 2kvb h ASP 590 Ca -0.47 -0.80 -0.04 0.00 0.42 0.00 0.00 57.03 56.14 2kvb h ASP 590 Cb 1.18 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 42.19 2kvb h ASP 590 CO 0.69 1.32 -0.01 0.59 -2.88 0.00 0.00 179.24 178.95 2kvb n ASN 591 N -4.37 0.60 -1.46 2.28 3.02 -1.26 -4.07 115.26 110.00 2kvb n ASN 591 Ca -0.21 -1.14 0.00 0.00 -0.03 0.00 0.00 54.58 53.20 2kvb n ASN 591 Cb 0.66 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.81 2kvb n ASN 591 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kvb s THR 593 N 0.40 1.26 -0.01 0.00 -4.23 -1.26 -1.23 115.64 110.57 2kvb s THR 593 Ca 0.00 -0.92 0.04 0.00 -1.18 0.00 0.00 61.69 59.62 2kvb s THR 593 Cb 0.00 -1.10 -0.01 0.00 1.34 0.00 0.00 72.50 72.73 2kvb s THR 593 CO 0.00 0.16 -0.11 0.54 -0.54 0.00 0.00 174.62 174.67 2kvb s VAL 594 N -0.67 0.90 -0.06 2.29 0.11 0.10 -4.25 120.40 118.83 2kvb s VAL 594 Ca 0.04 -0.51 0.01 0.00 -2.93 0.00 0.00 61.98 58.59 2kvb s VAL 594 Cb -0.07 -0.76 0.02 0.00 -1.53 0.00 0.00 36.38 34.04 2kvb s VAL 594 CO 0.01 0.24 -0.06 0.12 -3.33 0.00 0.00 175.10 172.07 2kvb s PHE 595 N -0.30 0.95 -0.10 1.54 5.36 -1.26 -0.38 117.98 123.79 2kvb s PHE 595 Ca 0.04 -0.31 0.01 0.00 -0.96 0.00 0.00 56.93 55.71 2kvb s PHE 595 Cb -0.05 -0.80 -0.02 0.00 -0.34 0.00 0.00 43.02 41.81 2kvb s PHE 595 CO -0.00 -0.24 -0.13 0.16 -1.46 0.00 0.00 175.22 173.54 2kvb s ASP 596 N 0.99 4.05 0.38 6.13 -4.77 -1.18 -4.89 116.67 117.37 2kvb s ASP 596 Ca -0.10 -0.27 0.19 0.00 -3.30 0.00 0.00 52.55 49.06 2kvb s ASP 596 Cb -0.14 -1.37 0.75 0.00 -1.09 0.00 0.00 42.92 41.07 2kvb s ASP 596 CO 0.00 0.23 1.77 0.77 0.70 0.00 0.00 175.17 178.64 2kvb h SER 597 N 6.24 0.00 -0.07 2.11 4.64 -1.96 -1.25 113.55 123.26 2kvb h SER 597 Ca -0.33 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.82 2kvb h SER 597 Cb 1.19 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2kvb h SER 597 CO 0.54 0.36 -0.62 0.06 -0.87 0.00 0.00 176.83 176.30 2kvb h GLN 598 N 0.00 0.54 0.00 4.77 -0.00 -1.97 -3.27 115.11 115.17 2kvb h GLN 598 Ca -0.00 -0.49 -0.06 0.00 -0.00 0.00 0.00 58.65 58.10 2kvb h GLN 598 Cb 0.82 0.12 -0.01 0.00 -0.00 0.00 0.00 27.48 28.41 2kvb h GLN 598 CO 0.05 1.12 -1.57 0.00 -0.00 0.00 0.00 178.83 178.42 2kvb n ALA 599 N -2.58 2.46 -3.05 0.06 0.00 -1.25 -4.97 120.51 111.17 2kvb n ALA 599 Ca -0.09 -0.48 -0.14 0.00 0.00 0.00 0.00 53.44 52.73 2kvb n ALA 599 Cb 0.67 -0.87 0.04 0.00 0.00 0.00 0.00 19.45 19.29 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 1.29 0.05 3.15 0.00 0.00 -0.48 -5.02 105.19 104.18 2kvb n GLY 600 Ca -0.06 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.13 1.70 -0.19 1.61 0.08 -1.21 -4.99 117.98 111.85 2kvb s PHE 601 Ca 0.31 -0.44 -0.12 0.00 0.12 0.00 0.00 56.93 56.80 2kvb s PHE 601 Cb -0.14 -1.13 -0.05 0.00 -0.57 0.00 0.00 43.02 41.14 2kvb s PHE 601 CO 0.39 -0.13 0.23 0.45 -0.10 0.00 0.00 175.22 176.06 2kvb s SER 602 N -0.10 6.32 -0.09 1.36 0.15 -1.26 -3.12 113.70 116.95 2kvb s SER 602 Ca -0.01 0.37 0.02 0.00 0.70 0.00 0.00 55.95 57.03 2kvb s SER 602 Cb -0.10 -2.14 0.02 0.00 -1.71 0.00 0.00 66.02 62.08 2kvb s SER 602 CO 0.01 0.12 -0.12 -0.36 1.20 0.00 0.00 173.24 174.09 2kvb s PHE 603 N 0.53 1.58 -0.23 3.44 0.08 0.49 -5.00 117.98 118.87 2kvb s PHE 603 Ca 0.13 -0.67 -0.01 0.00 0.12 0.00 0.00 56.93 56.49 2kvb s PHE 603 Cb -0.12 -1.19 0.02 0.00 -0.57 0.00 0.00 43.02 41.16 2kvb s PHE 603 CO 0.02 -0.38 -0.09 0.16 -0.10 0.00 0.00 175.22 174.83 2kvb s ASP 604 N 0.98 4.09 -0.13 1.36 -4.77 -1.26 0.02 116.67 116.96 2kvb s ASP 604 Ca -0.08 -0.83 0.17 0.00 -3.30 0.00 0.00 52.55 48.50 2kvb s ASP 604 Cb -0.15 -1.62 0.66 0.00 -1.09 0.00 0.00 42.92 40.72 2kvb s ASP 604 CO -0.00 -0.10 1.57 0.18 0.70 0.00 0.00 175.17 177.52 2kvb n LEU 605 N 4.65 4.57 -0.22 2.11 7.99 -0.36 -4.58 117.00 131.16 2kvb n LEU 605 Ca -0.17 -2.57 -0.03 0.00 -0.01 0.00 0.00 56.01 53.22 2kvb n LEU 605 Cb 0.47 -0.55 0.07 0.00 -0.11 0.00 0.00 43.42 43.31 2kvb n LEU 605 CO 0.26 0.75 1.10 0.71 -1.51 0.00 0.00 177.39 178.71 2kvb h THR 606 N 3.45 1.04 0.00 -5.08 1.35 -1.89 -2.05 112.91 109.73 2kvb h THR 606 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 2kvb h THR 606 Cb 1.46 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 2kvb h THR 606 CO 0.25 0.13 0.00 -0.65 -0.25 0.00 0.00 175.52 175.00 2kvb h PRO 607 N 0.72 0.00 0.00 4.72 0.11 -1.93 -2.34 132.00 133.28 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 0.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.19 2kvb h PRO 607 CO -0.13 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.94 2kvb n LEU 608 N -2.84 0.00 -4.71 2.35 7.99 -0.77 -4.81 117.00 114.21 2kvb n LEU 608 Ca -0.01 0.49 -0.42 0.00 -0.01 0.00 0.00 56.01 56.06 2kvb n LEU 608 Cb 0.13 -0.49 -0.03 0.00 -0.11 0.00 0.00 43.42 42.91 2kvb n LEU 608 CO 0.19 -0.03 0.82 -0.89 -1.51 0.00 0.00 177.39 175.98 2kvb s THR 609 N -2.99 4.29 0.01 -5.08 2.01 -0.88 -4.33 115.64 108.67 2kvb s THR 609 Ca 0.14 1.64 0.04 0.00 0.31 0.00 0.00 61.69 63.82 2kvb s THR 609 Cb 0.18 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 2kvb s THR 609 CO 0.50 0.13 -0.13 -0.54 -0.69 0.00 0.00 174.62 173.88 2kvb s LYS 610 N 1.04 0.97 0.07 4.92 1.02 -1.26 -4.98 119.74 121.52 2kvb s LYS 610 Ca 0.57 -0.60 -0.16 0.00 0.02 0.00 0.00 55.97 55.79 2kvb s LYS 610 Cb -0.27 -0.95 -0.13 0.00 -0.52 0.00 0.00 37.83 35.96 2kvb s LYS 610 CO 0.29 0.25 1.33 -0.22 -0.92 0.00 0.00 175.35 176.07 2kvb h LYS 611 N 5.38 0.60 0.00 1.68 3.64 -1.96 -2.97 116.57 122.94 2kvb h LYS 611 Ca -0.36 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 58.64 2kvb h LYS 611 Cb 1.17 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2kvb h LYS 611 CO 0.46 1.00 0.00 -0.44 -2.27 0.00 0.00 179.45 178.21 2kvb h ASP 612 N 0.27 0.00 -3.50 4.20 3.32 -1.96 -3.27 116.42 115.48 2kvb h ASP 612 Ca 0.01 0.00 0.28 0.00 0.02 0.00 0.00 57.03 57.33 2kvb h ASP 612 Cb 0.99 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.47 2kvb h ASP 612 CO 0.09 0.00 -0.38 0.00 -1.72 0.00 0.00 179.24 177.23 2kvb n ALA 613 N -2.00 -2.63 -3.56 3.45 0.00 -1.12 -4.82 120.51 109.83 2kvb n ALA 613 Ca 0.00 0.32 -0.34 0.00 0.00 0.00 0.00 53.44 53.43 2kvb n ALA 613 Cb 0.25 -0.91 -0.15 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.89 2.86 -0.18 0.00 1.51 0.08 -4.97 117.35 114.76 2kvb s TYR 614 Ca 0.00 -1.06 -0.07 0.00 -1.01 0.00 0.00 57.07 54.93 2kvb s TYR 614 Cb 0.00 -1.98 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 2kvb s TYR 614 CO 0.00 -0.53 0.05 0.21 -1.11 0.00 0.00 175.55 174.16 2kvb s LYS 615 N 1.13 3.90 -0.06 -0.62 2.20 -1.26 -0.91 119.74 124.11 2kvb s LYS 615 Ca 0.01 -0.39 -0.02 0.00 -0.36 0.00 0.00 55.97 55.22 2kvb s LYS 615 Cb -0.14 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 2kvb s LYS 615 CO -0.03 0.23 0.04 0.08 -0.36 0.00 0.00 175.35 175.30 2kvb s VAL 616 N 0.48 4.56 0.02 4.02 1.01 0.13 -4.92 120.40 125.71 2kvb s VAL 616 Ca 0.02 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 61.82 2kvb s VAL 616 Cb -0.13 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 2kvb s VAL 616 CO 0.01 0.52 -0.24 -1.61 0.00 0.00 0.00 175.10 173.78 2kvb s GLU 617 N -1.19 1.79 0.00 2.72 2.02 -1.26 0.13 118.70 122.91 2kvb s GLU 617 Ca 0.17 -0.96 0.00 0.00 0.02 0.00 0.00 54.97 54.19 2kvb s GLU 617 Cb -0.12 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.27 2kvb s GLU 617 CO 0.06 0.49 0.00 0.25 0.02 0.00 0.00 175.26 176.08 2kvb n THR 618 N 2.12 0.00 -0.03 3.63 -2.24 0.42 -4.98 114.28 113.21 2kvb n THR 618 Ca -0.16 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.51 2kvb n THR 618 Cb 0.52 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.70 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 0.19 0.00 3.42 3.32 -2.04 -3.38 116.42 117.94 2kvb h ASP 619 Ca 0.00 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2kvb h ASP 619 Cb 0.00 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.50 2kvb h ASP 619 CO 0.00 0.23 0.00 0.29 -1.72 0.00 0.00 179.24 178.04 2kvb n LYS 620 N -4.93 2.55 -4.87 3.56 5.02 -1.26 -4.93 118.16 113.30 2kvb n LYS 620 Ca -0.05 -0.13 -0.27 0.00 -2.02 0.00 0.00 58.31 55.85 2kvb n LYS 620 Cb 0.08 -0.53 -0.15 0.00 -0.02 0.00 0.00 35.03 34.41 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 -0.40 1.85 0.03 2.13 1.51 -1.26 -0.34 117.35 120.87 2kvb s TYR 621 Ca 0.00 -0.36 0.08 0.00 -1.01 0.00 0.00 57.07 55.78 2kvb s TYR 621 Cb 0.00 -1.16 -0.02 0.00 -0.11 0.00 0.00 41.96 40.67 2kvb s TYR 621 CO 0.00 0.02 -0.22 -1.83 -1.11 0.00 0.00 175.55 172.41 2kvb s GLU 622 N -0.76 1.57 -0.14 -0.62 -1.05 0.03 -0.43 118.70 117.30 2kvb s GLU 622 Ca 0.08 -0.94 0.02 0.00 -0.15 0.00 0.00 54.97 53.98 2kvb s GLU 622 Cb -0.08 -1.66 0.01 0.00 -0.44 0.00 0.00 34.13 31.96 2kvb s GLU 622 CO 0.00 0.43 -0.22 -0.06 0.95 0.00 0.00 175.26 176.37 2kvb s PHE 623 N -0.74 2.67 -0.20 4.83 0.40 0.12 -0.77 117.98 124.28 2kvb s PHE 623 Ca 0.09 -1.27 -0.05 0.00 -0.60 0.00 0.00 56.93 55.09 2kvb s PHE 623 Cb -0.09 -1.81 -0.02 0.00 0.51 0.00 0.00 43.02 41.61 2kvb s PHE 623 CO 0.01 -0.57 0.00 -1.01 0.70 0.00 0.00 175.22 174.36 2kvb s HIS 624 N 0.74 3.04 0.07 0.36 3.76 0.87 0.21 115.29 124.34 2kvb s HIS 624 Ca -0.09 -0.47 0.01 0.00 -0.15 0.00 0.00 55.06 54.37 2kvb s HIS 624 Cb -0.16 -2.10 -0.03 0.00 1.11 0.00 0.00 32.58 31.40 2kvb s HIS 624 CO -0.00 -0.26 -0.06 0.96 -0.85 0.00 0.00 174.74 174.53 2kvb s ILE 625 N 1.06 0.53 0.16 0.60 -4.36 -0.09 -0.17 121.20 118.92 2kvb s ILE 625 Ca 0.02 -1.53 0.06 0.00 -0.26 0.00 0.00 60.65 58.94 2kvb s ILE 625 Cb -0.14 -1.16 -0.04 0.00 1.25 0.00 0.00 42.46 42.36 2kvb s ILE 625 CO 0.02 -0.68 -0.12 0.21 0.24 0.00 0.00 174.94 174.60 2kvb s ASN 626 N -2.37 2.04 -0.56 4.36 2.47 -0.68 -0.74 114.94 119.46 2kvb s ASN 626 Ca 0.01 -0.98 -0.22 0.00 0.42 0.00 0.00 52.86 52.09 2kvb s ASN 626 Cb -0.01 -0.05 0.05 0.00 -1.45 0.00 0.00 41.25 39.79 2kvb s ASN 626 CO -0.03 -0.26 0.83 -0.69 -3.72 0.00 0.00 177.10 173.23 2kvb s VAL 627 N -3.05 4.56 0.19 -5.21 1.01 -1.26 -4.86 120.40 111.79 2kvb s VAL 627 Ca 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.00 2kvb s VAL 627 Cb 0.00 -4.48 0.00 0.00 0.00 0.00 0.00 36.38 31.90 2kvb s VAL 627 CO 0.03 -1.07 0.00 0.00 0.00 0.00 0.00 175.10 174.06 2kvb n GLY 629 N -1.70 -0.51 3.93 0.00 0.00 0.40 -4.84 105.19 102.46 2kvb n GLY 629 Ca 0.00 -1.11 -0.27 0.00 0.00 0.00 0.00 46.02 44.64 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 1.71 -0.11 1.61 0.04 -1.26 -2.63 135.00 134.36 2kvb s PRO 630 Ca 0.00 -0.27 -0.01 0.00 0.04 0.00 0.00 61.00 60.75 2kvb s PRO 630 Cb 0.00 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 2kvb s PRO 630 CO 0.00 -1.64 -0.06 0.54 0.04 0.00 0.00 177.00 175.89 2kvb s VAL 631 N -3.48 3.77 -1.03 -0.36 0.11 0.12 -4.76 120.40 114.76 2kvb s VAL 631 Ca 0.65 -0.43 -0.05 0.00 -2.93 0.00 0.00 61.98 59.22 2kvb s VAL 631 Cb -0.09 -2.60 0.27 0.00 -1.53 0.00 0.00 36.38 32.44 2kvb s VAL 631 CO 0.48 0.55 1.12 -0.24 -3.33 0.00 0.00 175.10 173.67 2kvb n SER 632 N 2.90 5.36 -4.33 3.54 2.88 -1.23 -4.64 113.62 118.09 2kvb n SER 632 Ca -0.18 -3.19 -0.32 0.00 -1.33 0.00 0.00 58.87 53.85 2kvb n SER 632 Cb 0.53 -1.23 -0.15 0.00 -0.75 0.00 0.00 64.21 62.60 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 -1.79 2.55 -0.07 2.46 1.01 -1.26 -4.55 120.40 118.74 2kvb s VAL 633 Ca 0.31 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.42 2kvb s VAL 633 Cb -0.04 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.35 2kvb s VAL 633 CO -0.04 0.56 0.76 0.61 0.00 0.00 0.00 175.10 176.99 2kvb n GLY 634 N 3.11 1.54 0.00 4.51 0.00 -1.26 -1.39 105.19 111.70 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 0.57 0.75 -2.29 4.61 0.00 -1.26 -5.08 120.51 117.81 2kvb n ALA 635 Ca 0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 53.44 52.96 2kvb n ALA 635 Cb 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.73 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 -3.46 4.48 0.15 0.00 0.04 -1.26 -4.69 135.00 130.26 2kvb s PRO 637 Ca 0.09 1.29 0.14 0.00 0.04 0.00 0.00 61.00 62.56 2kvb s PRO 637 Cb 0.02 -2.64 0.67 0.00 0.04 0.00 0.00 34.50 32.59 2kvb s PRO 637 CO -0.03 0.19 1.42 -2.30 0.04 0.00 0.00 177.00 176.32 2kvb n PRO 638 N 0.24 0.08 -0.06 0.56 -0.02 -1.26 -1.57 135.00 132.98 2kvb n PRO 638 Ca 0.03 0.49 0.10 0.00 -2.02 0.00 0.00 63.50 62.10 2kvb n PRO 638 Cb 0.51 -1.72 0.42 0.00 -0.02 0.00 0.00 33.50 32.69 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 -1.88 1.15 -4.31 2.55 9.92 -1.26 -4.66 116.55 118.05 2kvb n ASP 639 Ca 0.00 -1.63 -0.30 0.00 -0.53 0.00 0.00 54.79 52.34 2kvb n ASP 639 Cb 0.08 -0.07 -0.15 0.00 -0.64 0.00 0.00 41.12 40.33 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 -1.56 3.01 -0.01 -2.24 1.04 -0.61 -1.46 113.70 111.87 2kvb s SER 640 Ca 0.30 -0.51 0.20 0.00 0.48 0.00 0.00 55.95 56.42 2kvb s SER 640 Cb 0.16 -0.30 -0.26 0.00 0.10 0.00 0.00 66.02 65.71 2kvb s SER 640 CO 0.24 0.28 0.65 0.61 0.98 0.00 0.00 173.24 176.00 2kvb n GLY 641 N 2.15 -0.89 2.74 7.32 0.00 -0.04 0.11 105.19 116.58 2kvb n GLY 641 Ca -0.16 -0.52 -0.17 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.13 0.10 -0.01 4.61 0.00 -1.16 -1.69 121.76 120.49 2kvb s ALA 642 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.27 2kvb s ALA 642 Cb 0.14 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.78 2kvb s ALA 642 CO 0.83 -0.33 0.00 0.00 0.00 0.00 0.00 175.76 176.26 2kvb s GLN 644 N 0.51 2.78 -0.04 0.00 -2.07 -0.67 -0.09 119.66 120.09 2kvb s GLN 644 Ca -0.05 -0.62 0.01 0.00 -1.82 0.00 0.00 55.36 52.89 2kvb s GLN 644 Cb -0.07 -2.67 0.02 0.00 -1.09 0.00 0.00 33.01 29.21 2kvb s GLN 644 CO -0.01 0.62 -0.03 0.54 -1.32 0.00 0.00 175.29 175.09 2kvb s VAL 645 N -1.10 0.41 -0.43 3.63 0.11 0.05 0.04 120.40 123.10 2kvb s VAL 645 Ca 0.20 -0.04 -0.28 0.00 -2.93 0.00 0.00 61.98 58.92 2kvb s VAL 645 Cb -0.12 -0.46 0.00 0.00 -1.53 0.00 0.00 36.38 34.27 2kvb s VAL 645 CO 0.11 0.20 1.53 -0.55 -3.33 0.00 0.00 175.10 173.06 2kvb s SER 646 N 0.98 6.12 0.50 3.54 0.15 0.17 -0.79 113.70 124.38 2kvb s SER 646 Ca -0.10 0.80 0.29 0.00 0.70 0.00 0.00 55.95 57.64 2kvb s SER 646 Cb -0.14 -2.54 1.18 0.00 -1.71 0.00 0.00 66.02 62.81 2kvb s SER 646 CO -0.01 -1.61 1.92 0.08 1.20 0.00 0.00 173.24 174.82 2kvb h ARG 647 N 11.57 0.00 0.05 5.44 0.11 -1.00 0.33 114.38 130.89 2kvb h ARG 647 Ca -0.29 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.71 2kvb h ARG 647 Cb 1.12 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.21 2kvb h ARG 647 CO 1.10 0.11 -0.35 0.66 0.10 0.00 0.00 179.97 181.59 2kvb h SER 648 N 0.00 0.18 -0.01 0.08 4.64 -1.83 -3.39 113.55 113.22 2kvb h SER 648 Ca -0.00 -0.97 0.00 0.00 -0.47 0.00 0.00 61.79 60.35 2kvb h SER 648 Cb 0.60 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2kvb h SER 648 CO 0.01 1.17 -0.48 -0.67 -0.87 0.00 0.00 176.83 175.99 2kvb n ASP 649 N -4.42 1.47 -0.52 4.97 2.03 -1.17 -4.98 116.55 113.93 2kvb n ASP 649 Ca -0.12 -1.23 -0.07 0.00 0.52 0.00 0.00 54.79 53.89 2kvb n ASP 649 Cb 0.62 0.61 -0.03 0.00 -0.72 0.00 0.00 41.12 41.60 2kvb n ASP 649 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2kvb n ARG 650 N -0.44 -0.55 -3.46 -0.67 3.00 0.12 -5.01 116.66 109.64 2kvb n ARG 650 Ca 0.06 0.71 -0.38 0.00 -0.00 0.00 0.00 57.85 58.24 2kvb n ARG 650 Cb 0.34 -4.50 -0.06 0.00 0.00 0.00 0.00 32.46 28.24 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 -2.44 4.02 0.08 -0.14 -0.14 -1.22 -4.84 119.74 115.06 2kvb s LYS 651 Ca 0.00 0.42 0.09 0.00 -1.36 0.00 0.00 55.97 55.12 2kvb s LYS 651 Cb 0.00 -3.27 -0.03 0.00 -1.68 0.00 0.00 37.83 32.85 2kvb s LYS 651 CO 0.00 0.58 -0.25 -1.12 -0.76 0.00 0.00 175.35 173.80 2kvb s SER 652 N -0.73 3.02 0.17 2.83 0.01 -1.26 0.44 113.70 118.18 2kvb s SER 652 Ca 0.24 -0.64 0.07 0.00 1.31 0.00 0.00 55.95 56.92 2kvb s SER 652 Cb -0.16 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.79 2kvb s SER 652 CO 0.13 0.19 -0.14 0.26 0.41 0.00 0.00 173.24 174.09 2kvb s TRP 653 N -0.93 1.55 -0.30 2.43 0.51 0.11 -4.97 118.94 117.34 2kvb s TRP 653 Ca 0.11 -0.60 -0.15 0.00 -2.12 0.00 0.00 56.10 53.34 2kvb s TRP 653 Cb -0.10 -0.76 -0.03 0.00 -0.81 0.00 0.00 33.47 31.78 2kvb s TRP 653 CO 0.04 0.25 0.38 1.21 -0.51 0.00 0.00 176.95 178.31 2kvb s ASN 654 N -3.03 6.24 -0.03 2.95 3.84 -1.26 -1.66 114.94 121.98 2kvb s ASN 654 Ca 0.18 0.13 0.15 0.00 0.21 0.00 0.00 52.86 53.53 2kvb s ASN 654 Cb -0.01 -2.21 0.47 0.00 -0.55 0.00 0.00 41.25 38.94 2kvb s ASN 654 CO 0.04 -0.25 1.39 0.18 -2.79 0.00 0.00 177.10 175.68 2kvb n LEU 655 N 5.38 3.52 0.00 3.21 4.77 -0.32 -1.19 117.00 132.37 2kvb n LEU 655 Ca -0.08 -2.16 0.00 0.00 -0.03 0.00 0.00 56.01 53.74 2kvb n LEU 655 Cb 0.50 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 2kvb n LEU 655 CO 0.39 0.80 0.00 0.61 -1.33 0.00 0.00 177.39 177.86 2kvb n GLY 656 N 0.77 3.00 3.73 -0.72 0.00 -1.21 -2.82 105.19 107.94 2kvb n GLY 656 Ca 0.18 0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.51 1.04 -0.17 1.61 0.52 -1.25 -0.86 118.95 119.33 2kvb s ARG 657 Ca 0.00 0.55 -0.33 0.00 -0.52 0.00 0.00 55.73 55.44 2kvb s ARG 657 Cb 0.00 -1.81 -0.10 0.00 0.52 0.00 0.00 34.95 33.57 2kvb s ARG 657 CO 0.00 -2.32 2.04 0.43 0.02 0.00 0.00 175.30 175.47 2kvb n SER 658 N -3.90 3.18 -3.74 0.23 7.64 -0.54 -3.96 113.62 112.53 2kvb n SER 658 Ca 0.06 0.66 -0.13 0.00 1.01 0.00 0.00 58.87 60.47 2kvb n SER 658 Cb 0.57 -1.40 -0.10 0.00 -1.01 0.00 0.00 64.21 62.26 2kvb n SER 658 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2kvb s ASN 659 N 5.86 -0.39 0.00 6.43 2.47 -1.08 -4.81 114.94 123.42 2kvb s ASN 659 Ca 0.98 0.75 0.04 0.00 0.42 0.00 0.00 52.86 55.06 2kvb s ASN 659 Cb -0.62 0.75 0.12 0.00 -1.45 0.00 0.00 41.25 40.05 2kvb s ASN 659 CO 0.46 -0.13 1.09 0.00 -3.72 0.00 0.00 177.10 174.80 2kvb n ALA 660 N 3.02 2.08 -2.36 1.71 0.00 -1.26 -0.45 120.51 123.24 2kvb n ALA 660 Ca -0.14 -1.05 -0.42 0.00 0.00 0.00 0.00 53.44 51.83 2kvb n ALA 660 Cb 0.57 -0.18 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.99 3.34 0.41 0.00 -0.14 -1.26 -3.32 119.74 117.78 2kvb s LYS 661 Ca 0.09 0.58 -0.14 0.00 -1.36 0.00 0.00 55.97 55.15 2kvb s LYS 661 Cb 0.05 -4.11 -0.08 0.00 -1.68 0.00 0.00 37.83 32.01 2kvb s LYS 661 CO 0.06 -1.89 0.83 -0.51 -0.76 0.00 0.00 175.35 173.08 2kvb s LEU 662 N 6.05 3.85 0.04 3.17 1.43 -1.21 -3.66 118.68 128.36 2kvb s LEU 662 Ca 0.55 1.31 0.05 0.00 -1.03 0.00 0.00 54.13 55.01 2kvb s LEU 662 Cb -0.12 -4.18 -0.02 0.00 0.03 0.00 0.00 46.19 41.90 2kvb s LEU 662 CO 0.27 -0.39 -0.14 -0.44 0.23 0.00 0.00 176.35 175.88 2kvb s SER 663 N -2.85 1.61 -0.21 2.29 0.01 0.74 0.40 113.70 115.69 2kvb s SER 663 Ca 0.55 -0.48 -0.03 0.00 1.31 0.00 0.00 55.95 57.30 2kvb s SER 663 Cb -0.10 -0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.03 2kvb s SER 663 CO 0.27 0.01 -0.06 -0.47 0.41 0.00 0.00 173.24 173.39 2kvb s TYR 664 N -0.92 2.93 -0.08 2.43 6.14 -0.21 -0.84 117.35 126.81 2kvb s TYR 664 Ca 0.01 -0.99 -0.04 0.00 0.64 0.00 0.00 57.07 56.69 2kvb s TYR 664 Cb -0.08 -2.07 -0.04 0.00 0.42 0.00 0.00 41.96 40.19 2kvb s TYR 664 CO 0.01 -0.55 0.08 -0.47 0.64 0.00 0.00 175.55 175.26 2kvb s TYR 665 N 1.39 3.38 -0.24 4.97 5.04 -0.28 -2.11 117.35 129.49 2kvb s TYR 665 Ca 0.05 0.34 -0.38 0.00 -2.44 0.00 0.00 57.07 54.64 2kvb s TYR 665 Cb -0.14 -1.84 -0.14 0.00 0.35 0.00 0.00 41.96 40.19 2kvb s TYR 665 CO -0.04 0.60 1.85 -3.47 -1.34 0.00 0.00 175.55 173.15 2kvb n ASP 666 N 1.84 2.64 0.00 4.32 2.03 -0.60 -0.87 116.55 125.92 2kvb n ASP 666 Ca -0.18 0.95 0.00 0.00 0.52 0.00 0.00 54.79 56.09 2kvb n ASP 666 Cb 0.54 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 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 4.62 3.09 3.35 0.27 0.00 -1.26 -5.02 105.19 110.24 2kvb n GLY 667 Ca 0.28 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 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 1.14 0.11 1.61 0.23 -0.05 -5.12 119.30 117.22 2kvb s MET 668 Ca 0.00 -0.64 -0.23 0.00 -1.03 0.00 0.00 55.69 53.79 2kvb s MET 668 Cb 0.00 0.51 -0.07 0.00 -1.53 0.00 0.00 34.83 33.74 2kvb s MET 668 CO 0.00 -0.46 0.70 0.42 -2.03 0.00 0.00 175.02 173.65 2kvb s ILE 669 N -3.79 4.57 0.03 3.16 1.09 -1.26 -1.13 121.20 123.88 2kvb s ILE 669 Ca 0.02 1.52 0.02 0.00 -1.10 0.00 0.00 60.65 61.12 2kvb s ILE 669 Cb 0.01 -4.05 -0.02 0.00 -1.06 0.00 0.00 42.46 37.34 2kvb s ILE 669 CO -0.12 0.50 -0.08 -1.10 -0.10 0.00 0.00 174.94 174.04 2kvb s GLN 670 N -0.90 0.56 -0.15 2.79 -0.21 -0.02 -0.81 119.66 120.92 2kvb s GLN 670 Ca 0.34 -0.64 0.01 0.00 0.02 0.00 0.00 55.36 55.09 2kvb s GLN 670 Cb -0.21 -0.41 0.01 0.00 1.00 0.00 0.00 33.01 33.39 2kvb s GLN 670 CO 0.23 0.09 -0.19 -1.17 -2.12 0.00 0.00 175.29 172.13 2kvb s LEU 671 N -1.23 2.28 -0.10 2.90 0.20 -0.04 -0.18 118.68 122.51 2kvb s LEU 671 Ca -0.06 -0.55 -0.01 0.00 0.69 0.00 0.00 54.13 54.21 2kvb s LEU 671 Cb -0.08 -1.50 -0.03 0.00 -0.43 0.00 0.00 46.19 44.15 2kvb s LEU 671 CO 0.00 0.08 -0.06 0.28 -0.29 0.00 0.00 176.35 176.36 2kvb s THR 672 N 0.85 3.72 0.62 3.68 -1.32 -1.24 -0.31 115.64 121.64 2kvb s THR 672 Ca -0.06 -0.45 0.07 0.00 -1.21 0.00 0.00 61.69 60.04 2kvb s THR 672 Cb -0.15 -2.56 0.10 0.00 -1.51 0.00 0.00 72.50 68.39 2kvb s THR 672 CO -0.02 0.56 0.86 -0.31 -2.21 0.00 0.00 174.62 173.50 2kvb s TYR 673 N -0.37 1.33 0.78 9.09 2.02 0.21 -4.62 117.35 125.79 2kvb s TYR 673 Ca 0.05 -0.65 -0.03 0.00 -0.37 0.00 0.00 57.07 56.08 2kvb s TYR 673 Cb -0.12 -2.40 0.16 0.00 -0.40 0.00 0.00 41.96 39.20 2kvb s TYR 673 CO 0.02 -1.36 1.07 0.54 -1.57 0.00 0.00 175.55 174.25 2kvb n ARG 674 N -2.42 -0.31 -0.31 -0.62 5.12 -1.26 -4.32 116.66 112.54 2kvb n ARG 674 Ca 0.16 -2.66 0.19 0.00 -1.93 0.00 0.00 57.85 53.61 2kvb n ARG 674 Cb 0.61 -0.79 0.45 0.00 -1.16 0.00 0.00 32.46 31.58 2kvb n ARG 674 CO 0.00 0.00 0.00 0.38 -1.93 0.00 0.00 177.63 176.08 2kvb h ASP 675 N -0.79 0.55 0.00 0.55 2.03 -1.91 -3.29 116.42 113.56 2kvb h ASP 675 Ca -0.35 0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 2kvb h ASP 675 Cb 1.24 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 2kvb h ASP 675 CO 0.35 0.16 0.00 0.61 -1.03 0.00 0.00 179.24 179.33 2kvb n GLY 676 N -1.43 3.22 3.17 7.15 0.00 -1.26 -1.70 105.19 114.34 2kvb n GLY 676 Ca 0.23 0.27 -0.33 0.00 0.00 0.00 0.00 46.02 46.19 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 2.27 0.73 2.61 2.01 -0.33 -4.90 115.64 118.03 2kvb s THR 677 Ca 0.00 -0.88 -0.15 0.00 0.31 0.00 0.00 61.69 60.97 2kvb s THR 677 Cb 0.00 -1.95 0.04 0.00 0.01 0.00 0.00 72.50 70.60 2kvb s THR 677 CO 0.00 0.53 1.18 -2.16 -0.69 0.00 0.00 174.62 173.48 2kvb s PRO 678 N 1.09 2.18 0.00 4.92 0.04 -1.26 -3.25 135.00 138.72 2kvb s PRO 678 Ca -0.00 1.67 0.00 0.00 0.04 0.00 0.00 61.00 62.71 2kvb s PRO 678 Cb -0.14 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2kvb s PRO 678 CO -0.07 -1.78 0.44 0.66 0.04 0.00 0.00 177.00 176.28 2kvb n TYR 679 N -2.78 0.00 0.00 0.56 4.02 0.10 -4.83 117.16 114.23 2kvb n TYR 679 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 2kvb n TYR 679 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 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 -0.90 0.00 -4.94 7.72 0.23 -1.26 -5.06 115.26 111.05 2kvb n ASN 680 Ca 0.00 0.00 -0.24 0.00 -0.53 0.00 0.00 54.58 53.81 2kvb n ASN 680 Cb 0.00 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 37.72 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 5.80 0.41 0.53 4.22 -1.26 -4.96 114.94 119.69 2kvb s ASN 681 Ca 0.00 0.45 0.10 0.00 -2.14 0.00 0.00 52.86 51.28 2kvb s ASN 681 Cb 0.00 -1.64 0.88 0.00 1.28 0.00 0.00 41.25 41.77 2kvb s ASN 681 CO 0.00 -0.79 1.98 -0.08 -2.04 0.00 0.00 177.10 176.17 2kvb h GLU 682 N 0.23 0.23 0.00 3.55 4.22 -2.03 -1.04 114.58 119.74 2kvb h GLU 682 Ca -0.46 -0.04 -0.12 0.00 0.08 0.00 0.00 59.36 58.82 2kvb h GLU 682 Cb 1.25 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2kvb h GLU 682 CO 0.59 0.30 -0.58 -0.22 -2.18 0.00 0.00 179.01 176.92 2kvb h LYS 683 N 0.22 0.00 -4.75 1.92 3.11 -2.06 -3.48 116.57 111.53 2kvb h LYS 683 Ca 0.05 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 2kvb h LYS 683 Cb 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.48 2kvb h LYS 683 CO 0.01 0.58 -0.51 0.54 -2.81 0.00 0.00 179.45 177.26 2kvb n ARG 684 N -3.51 -2.15 -3.38 1.90 5.12 -0.40 -4.99 116.66 109.26 2kvb n ARG 684 Ca 0.00 1.94 -0.42 0.00 -1.93 0.00 0.00 57.85 57.44 2kvb n ARG 684 Cb 0.66 -4.68 -0.09 0.00 -1.16 0.00 0.00 32.46 27.19 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 -1.96 5.15 0.43 0.55 2.01 -1.26 -4.95 115.64 115.61 2kvb s THR 685 Ca 0.14 -0.30 -0.26 0.00 0.31 0.00 0.00 61.69 61.57 2kvb s THR 685 Cb -0.04 -3.94 -0.09 0.00 0.01 0.00 0.00 72.50 68.44 2kvb s THR 685 CO 0.61 -0.29 1.42 -2.16 -0.69 0.00 0.00 174.62 173.51 2kvb s PRO 686 N 1.99 3.81 -0.17 4.92 0.04 -1.26 -0.72 135.00 143.62 2kvb s PRO 686 Ca 0.10 2.42 -0.08 0.00 0.04 0.00 0.00 61.00 63.48 2kvb s PRO 686 Cb -0.17 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 2kvb s PRO 686 CO 0.12 -0.71 0.11 1.03 0.04 0.00 0.00 177.00 177.59 2kvb s ARG 687 N -2.34 3.85 0.29 4.56 0.52 -0.69 -4.81 118.95 120.33 2kvb s ARG 687 Ca 0.59 -0.24 0.05 0.00 -0.52 0.00 0.00 55.73 55.61 2kvb s ARG 687 Cb -0.44 -3.27 -0.06 0.00 0.52 0.00 0.00 34.95 31.71 2kvb s ARG 687 CO 0.57 0.45 -0.00 0.00 0.02 0.00 0.00 175.30 176.34 2kvb s ALA 688 N -0.11 2.25 -0.09 2.13 0.00 -1.22 -4.03 121.76 120.70 2kvb s ALA 688 Ca 0.09 -1.94 0.02 0.00 0.00 0.00 0.00 51.96 50.14 2kvb s ALA 688 Cb -0.12 0.42 0.01 0.00 0.00 0.00 0.00 23.12 23.43 2kvb s ALA 688 CO 0.00 -0.20 -0.15 0.99 0.00 0.00 0.00 175.76 176.41 2kvb s THR 689 N -3.19 1.41 -0.23 0.00 2.01 -1.13 -0.09 115.64 114.42 2kvb s THR 689 Ca 0.32 -0.61 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 2kvb s THR 689 Cb 0.06 -1.27 0.02 0.00 0.01 0.00 0.00 72.50 71.32 2kvb s THR 689 CO 0.13 0.42 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.62 2kvb s LEU 690 N 0.77 2.96 -0.26 4.42 2.01 0.11 -0.62 118.68 128.08 2kvb s LEU 690 Ca -0.12 -0.82 -0.10 0.00 0.01 0.00 0.00 54.13 53.11 2kvb s LEU 690 Cb -0.16 -1.63 -0.04 0.00 0.01 0.00 0.00 46.19 44.37 2kvb s LEU 690 CO 0.02 -0.09 0.15 -0.63 1.01 0.00 0.00 176.35 176.80 2kvb s ILE 691 N 1.32 5.06 -0.28 -0.59 1.01 0.58 -0.89 121.20 127.41 2kvb s ILE 691 Ca 0.01 0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.64 2kvb s ILE 691 Cb -0.16 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 2kvb s ILE 691 CO -0.06 0.31 0.17 -0.89 0.00 0.00 0.00 174.94 174.47 2kvb s THR 692 N 1.47 5.10 -0.26 2.92 2.01 0.21 -0.86 115.64 126.24 2kvb s THR 692 Ca 0.07 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 62.02 2kvb s THR 692 Cb -0.15 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 2kvb s THR 692 CO 0.07 0.24 0.17 -0.36 -0.69 0.00 0.00 174.62 174.05 2kvb s PHE 693 N 1.73 3.27 0.17 4.92 0.40 0.01 0.50 117.98 128.97 2kvb s PHE 693 Ca 0.07 0.17 0.09 0.00 -0.60 0.00 0.00 56.93 56.65 2kvb s PHE 693 Cb -0.16 -2.31 -0.04 0.00 0.51 0.00 0.00 43.02 41.02 2kvb s PHE 693 CO 0.09 -0.03 -0.11 -0.51 0.70 0.00 0.00 175.22 175.36 2kvb s LEU 694 N 1.34 2.92 -0.30 -0.37 2.01 0.11 -3.99 118.68 120.40 2kvb s LEU 694 Ca 0.07 -0.57 -0.21 0.00 0.01 0.00 0.00 54.13 53.43 2kvb s LEU 694 Cb -0.14 -1.64 -0.01 0.00 0.01 0.00 0.00 46.19 44.41 2kvb s LEU 694 CO 0.07 0.12 0.65 0.00 1.01 0.00 0.00 176.35 178.20 2kvb s ASP 696 N 1.62 0.06 0.00 0.00 1.01 -0.86 -4.86 116.67 113.65 2kvb s ASP 696 Ca 0.26 -0.16 0.27 0.00 0.71 0.00 0.00 52.55 53.64 2kvb s ASP 696 Cb -0.15 0.13 1.05 0.00 1.01 0.00 0.00 42.92 44.96 2kvb s ASP 696 CO 0.12 -0.18 1.74 -1.14 0.21 0.00 0.00 175.17 175.91 2kvb n ARG 697 N 2.24 1.65 -2.96 8.23 0.00 -1.26 -1.24 116.66 123.32 2kvb n ARG 697 Ca -0.18 -0.94 -0.40 0.00 -0.00 0.00 0.00 57.85 56.32 2kvb n ARG 697 Cb 0.57 -1.47 -0.05 0.00 0.00 0.00 0.00 32.46 31.51 2kvb n ARG 697 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2kvb s ASP 698 N -1.96 7.19 0.00 6.15 1.01 -1.26 -3.88 116.67 123.93 2kvb s ASP 698 Ca 0.38 1.43 0.00 0.00 0.71 0.00 0.00 52.55 55.07 2kvb s ASP 698 Cb 0.21 -2.47 0.00 0.00 1.01 0.00 0.00 42.92 41.67 2kvb s ASP 698 CO 0.33 -0.03 0.00 0.00 0.21 0.00 0.00 175.17 175.67 2kvb n ALA 699 N 3.08 0.00 0.00 5.23 0.00 -1.26 -4.53 120.51 123.03 2kvb n ALA 699 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2kvb n ALA 699 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 2.10 0.17 0.00 0.00 -1.25 -4.28 105.19 101.93 2kvb n GLY 700 Ca 0.00 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 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 1.24 0.00 1.61 3.04 -1.89 -1.37 116.25 118.89 2kvb h VAL 701 Ca 0.00 -0.85 0.00 0.00 -1.01 0.00 0.00 66.70 64.84 2kvb h VAL 701 Cb 0.00 1.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 2kvb h VAL 701 CO 0.00 0.28 0.00 0.61 -1.01 0.00 0.00 177.57 177.45 2kvb n GLY 702 N -0.43 -0.27 3.33 3.17 0.00 -1.25 -4.62 105.19 105.11 2kvb n GLY 702 Ca -0.02 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.70 2.46 0.55 1.61 0.08 -1.26 -4.93 117.98 114.79 2kvb s PHE 703 Ca 0.00 -0.51 -0.18 0.00 0.12 0.00 0.00 56.93 56.36 2kvb s PHE 703 Cb 0.00 -1.58 -0.06 0.00 -0.57 0.00 0.00 43.02 40.81 2kvb s PHE 703 CO 0.00 -0.08 1.07 -1.25 -0.10 0.00 0.00 175.22 174.86 2kvb s PRO 704 N -0.41 3.48 0.10 0.24 0.04 -1.26 -4.09 135.00 133.10 2kvb s PRO 704 Ca 0.04 1.36 0.10 0.00 0.04 0.00 0.00 61.00 62.54 2kvb s PRO 704 Cb -0.12 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 2kvb s PRO 704 CO 0.01 -0.70 -0.27 -1.21 0.04 0.00 0.00 177.00 174.88 2kvb s GLU 705 N -3.59 1.51 -0.25 4.56 0.41 0.18 -4.77 118.70 116.75 2kvb s GLU 705 Ca 0.67 -1.27 -0.07 0.00 -0.41 0.00 0.00 54.97 53.89 2kvb s GLU 705 Cb -0.18 -1.90 -0.03 0.00 -1.78 0.00 0.00 34.13 30.24 2kvb s GLU 705 CO 0.28 0.46 0.07 -0.47 -0.49 0.00 0.00 175.26 175.12 2kvb s TYR 706 N -0.99 3.08 0.00 1.61 5.04 -1.26 0.01 117.35 124.84 2kvb s TYR 706 Ca 0.13 -0.45 0.00 0.00 -2.44 0.00 0.00 57.07 54.31 2kvb s TYR 706 Cb -0.10 -2.24 0.00 0.00 0.35 0.00 0.00 41.96 39.97 2kvb s TYR 706 CO 0.05 -0.37 0.00 1.04 -1.34 0.00 0.00 175.55 174.93 2kvb n GLN 707 N 4.92 0.00 -3.64 4.97 1.13 -0.86 -4.96 117.38 118.94 2kvb n GLN 707 Ca -0.16 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 54.84 2kvb n GLN 707 Cb 0.51 -0.21 -0.07 0.00 0.11 0.00 0.00 30.24 30.59 2kvb n GLN 707 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2kvb s GLU 708 N 0.00 0.29 0.04 -1.09 2.56 -1.25 -5.04 118.70 114.21 2kvb s GLU 708 Ca 0.00 0.32 -0.24 0.00 0.00 0.00 0.00 54.97 55.04 2kvb s GLU 708 Cb 0.00 0.14 -0.05 0.00 2.00 0.00 0.00 34.13 36.21 2kvb s GLU 708 CO 0.00 -0.04 0.74 -2.00 -0.56 0.00 0.00 175.26 173.40 2kvb s GLU 709 N 0.04 4.47 0.00 4.30 -6.30 -1.26 -3.77 118.70 116.18 2kvb s GLU 709 Ca 0.05 1.01 0.00 0.00 -2.50 0.00 0.00 54.97 53.54 2kvb s GLU 709 Cb -0.05 -3.36 0.00 0.00 0.00 0.00 0.00 34.13 30.72 2kvb s GLU 709 CO -0.10 0.30 0.00 -3.47 0.02 0.00 0.00 175.26 172.01 2kvb n ASP 710 N 2.78 0.00 -1.49 -1.70 2.03 -1.24 -4.94 116.55 111.99 2kvb n ASP 710 Ca -0.03 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.23 2kvb n ASP 710 Cb 0.50 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 41.07 2kvb n ASP 710 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2kvb n ASN 711 N -0.64 3.59 0.00 1.67 0.23 -1.26 -4.79 115.26 114.05 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 -0.24 -0.93 0.00 0.00 177.26 176.09 2kvb n SER 712 N -0.02 -0.52 -3.86 0.53 2.88 -1.26 -4.99 113.62 106.38 2kvb n SER 712 Ca 0.25 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.67 2kvb n SER 712 Cb 0.97 -0.09 -0.13 0.00 -0.75 0.00 0.00 64.21 64.22 2kvb n SER 712 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2kvb s THR 713 N -3.47 0.01 -0.23 2.46 2.01 -1.26 -3.39 115.64 111.77 2kvb s THR 713 Ca 0.00 -0.10 -0.24 0.00 0.31 0.00 0.00 61.69 61.66 2kvb s THR 713 Cb 0.00 -0.14 -0.01 0.00 0.01 0.00 0.00 72.50 72.36 2kvb s THR 713 CO 0.00 -0.06 0.80 -0.31 -0.69 0.00 0.00 174.62 174.37 2kvb s TYR 714 N -0.14 3.32 -0.22 4.92 1.51 0.88 -3.63 117.35 123.99 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 -0.02 -3.02 -0.05 0.00 -0.11 0.00 0.00 41.96 38.77 2kvb s TYR 714 CO 0.00 -0.37 0.12 -0.80 -1.11 0.00 0.00 175.55 173.39 2kvb s ASN 715 N 1.32 5.89 -0.03 2.29 -0.87 -1.25 0.08 114.94 122.37 2kvb s ASN 715 Ca 0.34 0.09 0.05 0.00 -1.57 0.00 0.00 52.86 51.76 2kvb s ASN 715 Cb -0.15 -2.05 -0.03 0.00 -0.02 0.00 0.00 41.25 39.00 2kvb s ASN 715 CO 0.08 0.10 -0.16 -0.36 -2.57 0.00 0.00 177.10 174.19 2kvb s PHE 716 N 0.83 2.64 -0.21 2.20 0.40 -0.07 -2.04 117.98 121.73 2kvb s PHE 716 Ca 0.06 -0.20 -0.08 0.00 -0.60 0.00 0.00 56.93 56.11 2kvb s PHE 716 Cb -0.13 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 41.77 2kvb s PHE 716 CO 0.02 0.17 0.07 0.50 0.70 0.00 0.00 175.22 176.69 2kvb s ARG 717 N -0.81 3.86 -0.15 0.44 3.52 0.10 0.67 118.95 126.58 2kvb s ARG 717 Ca 0.12 -0.39 0.02 0.00 -0.13 0.00 0.00 55.73 55.35 2kvb s ARG 717 Cb -0.11 -3.28 0.01 0.00 -1.56 0.00 0.00 34.95 30.01 2kvb s ARG 717 CO 0.01 0.08 -0.21 -0.46 -0.81 0.00 0.00 175.30 173.91 2kvb s TRP 718 N 0.91 2.70 -0.44 5.12 -0.11 0.18 0.50 118.94 127.79 2kvb s TRP 718 Ca 0.04 -1.37 -0.14 0.00 1.22 0.00 0.00 56.10 55.84 2kvb s TRP 718 Cb -0.14 -1.84 0.05 0.00 -1.50 0.00 0.00 33.47 30.05 2kvb s TRP 718 CO 0.03 -0.64 0.34 0.71 -4.62 0.00 0.00 176.95 172.77 2kvb s TYR 719 N 0.89 3.25 0.01 5.86 2.02 -1.26 0.07 117.35 128.20 2kvb s TYR 719 Ca -0.05 -0.88 0.02 0.00 -0.37 0.00 0.00 57.07 55.79 2kvb s TYR 719 Cb -0.15 -2.92 -0.01 0.00 -0.40 0.00 0.00 41.96 38.48 2kvb s TYR 719 CO -0.04 -0.73 -0.08 -0.08 -1.57 0.00 0.00 175.55 173.06 2kvb s THR 720 N 1.63 0.60 0.29 -0.71 -1.32 0.32 -3.88 115.64 112.57 2kvb s THR 720 Ca 0.04 -0.56 0.26 0.00 -1.21 0.00 0.00 61.69 60.22 2kvb s THR 720 Cb -0.22 -0.55 0.27 0.00 -1.51 0.00 0.00 72.50 70.49 2kvb s THR 720 CO 0.07 0.01 1.96 0.28 -2.21 0.00 0.00 174.62 174.73 2kvb h SER 721 N 5.51 0.00 0.69 8.08 0.02 0.02 -2.20 113.55 125.67 2kvb h SER 721 Ca -0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2kvb h SER 721 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2kvb h SER 721 CO 0.47 0.17 0.00 -1.22 -1.14 0.00 0.00 176.83 175.11 2kvb n TYR 722 N -3.52 0.19 1.68 3.45 4.02 -1.26 -2.07 117.16 119.65 2kvb n TYR 722 Ca -0.01 0.07 0.15 0.00 -0.01 0.00 0.00 57.90 58.10 2kvb n TYR 722 Cb 0.32 -0.61 0.81 0.00 -0.02 0.00 0.00 39.34 39.85 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 -1.56 2.62 -2.70 -0.72 0.00 -1.00 -4.71 120.51 112.44 2kvb n ALA 723 Ca 0.04 -0.20 -0.32 0.00 0.00 0.00 0.00 53.44 52.96 2kvb n ALA 723 Cb 0.23 -1.47 -0.08 0.00 0.00 0.00 0.00 19.45 18.13 2kvb n ALA 723 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50