#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iva n ALA 652 N 0.00 0.00 0.00 -1.58 0.00 -1.26 -4.94 120.51 112.73 3iva n ALA 652 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3iva n ALA 652 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3iva n ALA 652 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3iva n GLU 653 N 0.00 0.00 0.07 0.00 4.07 -1.26 -4.23 120.64 119.29 3iva n GLU 653 Ca 0.00 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.22 3iva n GLU 653 Cb 0.00 0.00 0.47 0.00 -0.06 0.00 0.00 31.44 31.85 3iva n GLU 653 CO 0.00 0.00 0.00 -2.67 -0.06 0.00 0.00 177.13 174.40 3iva n TRP 654 N 0.00 0.52 1.39 4.31 4.27 -1.26 -2.17 117.44 124.50 3iva n TRP 654 Ca 0.00 0.17 0.14 0.00 -3.89 0.00 0.00 57.50 53.92 3iva n TRP 654 Cb 0.00 -0.77 0.62 0.00 -1.36 0.00 0.00 31.31 29.80 3iva n TRP 654 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 3iva n ARG 655 N -1.94 0.62 -0.27 -2.67 5.12 -1.26 -3.15 116.66 113.11 3iva n ARG 655 Ca 0.05 -0.19 0.08 0.00 -1.93 0.00 0.00 57.85 55.86 3iva n ARG 655 Cb 0.33 -1.50 0.23 0.00 -1.16 0.00 0.00 32.46 30.36 3iva n ARG 655 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3iva n SER 656 N -1.03 3.41 -4.86 0.55 3.41 -0.92 -4.99 113.62 109.20 3iva n SER 656 Ca 0.14 -2.03 -0.22 0.00 -0.26 0.00 0.00 58.87 56.50 3iva n SER 656 Cb 0.27 -0.35 0.07 0.00 -0.26 0.00 0.00 64.21 63.94 3iva n SER 656 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3iva s TRP 657 N -1.06 2.08 0.58 7.33 0.51 -1.19 -5.05 118.94 122.14 3iva s TRP 657 Ca 0.35 -0.27 -0.20 0.00 -2.12 0.00 0.00 56.10 53.86 3iva s TRP 657 Cb 0.18 -2.74 -0.05 0.00 -0.81 0.00 0.00 33.47 30.06 3iva s TRP 657 CO 0.23 -1.24 1.18 -1.91 -0.51 0.00 0.00 176.95 174.69 3iva n GLU 658 N -2.50 1.27 0.04 4.98 2.13 -1.26 -4.74 120.64 120.56 3iva n GLU 658 Ca 0.12 0.48 -0.10 0.00 0.66 0.00 0.00 57.16 58.32 3iva n GLU 658 Cb 0.60 -2.38 -0.04 0.00 0.27 0.00 0.00 31.44 29.89 3iva n GLU 658 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3iva h VAL 659 N 0.93 0.51 0.00 6.31 2.07 -1.96 0.75 116.25 124.86 3iva h VAL 659 Ca -0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3iva h VAL 659 Cb 1.33 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3iva h VAL 659 CO 0.54 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.72 3iva n ASN 660 N -5.34 0.00 -0.06 0.57 3.02 -1.26 -1.65 115.26 110.54 3iva n ASN 660 Ca -0.04 -0.17 -0.12 0.00 -0.03 0.00 0.00 54.58 54.23 3iva n ASN 660 Cb 0.25 -0.17 -0.15 0.00 -0.61 0.00 0.00 39.78 39.11 3iva n ASN 660 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3iva n LYS 661 N -1.17 0.67 0.16 3.52 4.81 0.07 -3.36 118.16 122.86 3iva n LYS 661 Ca 0.09 0.15 0.02 0.00 -0.87 0.00 0.00 58.31 57.71 3iva n LYS 661 Cb 0.09 -1.64 0.23 0.00 0.02 0.00 0.00 35.03 33.73 3iva n LYS 661 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3iva h ARG 662 N 0.01 0.00 -0.10 1.64 3.08 -0.08 -1.87 114.38 117.05 3iva h ARG 662 Ca -0.44 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.55 3iva h ARG 662 Cb 2.10 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.15 3iva h ARG 662 CO 0.04 0.51 -0.17 -0.07 -1.07 0.00 0.00 179.97 179.21 3iva h LEU 663 N 0.00 0.32 -0.79 3.04 4.07 -1.56 0.60 115.31 120.99 3iva h LEU 663 Ca -0.01 -0.54 0.03 0.00 0.08 0.00 0.00 57.88 57.44 3iva h LEU 663 Cb 1.04 -0.09 -0.05 0.00 1.08 0.00 0.00 40.66 42.64 3iva h LEU 663 CO 0.07 0.80 0.51 -0.08 -1.08 0.00 0.00 178.44 178.65 3iva h GLU 664 N -0.14 0.97 -0.18 1.13 4.81 -1.54 -0.04 114.58 119.59 3iva h GLU 664 Ca 0.01 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 3iva h GLU 664 Cb 0.73 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3iva h GLU 664 CO 0.04 0.65 0.01 -0.92 -0.73 0.00 0.00 179.01 178.05 3iva h TYR 665 N 1.00 0.35 -0.16 0.92 3.20 -1.24 -2.02 116.97 119.03 3iva h TYR 665 Ca 0.31 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 62.05 3iva h TYR 665 Cb -0.02 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 3iva h TYR 665 CO -0.03 0.51 -0.22 0.66 -1.64 0.00 0.00 178.16 177.45 3iva h SER 666 N 0.08 0.27 0.37 -2.11 4.64 -0.62 -1.09 113.55 115.09 3iva h SER 666 Ca 0.05 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 3iva h SER 666 Cb 0.37 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3iva h SER 666 CO 0.01 0.50 -0.18 -0.07 -0.87 0.00 0.00 176.83 176.22 3iva h LEU 667 N 0.25 -0.42 -0.08 5.97 3.38 -0.92 0.21 115.31 123.70 3iva h LEU 667 Ca 0.04 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.92 3iva h LEU 667 Cb 0.53 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 3iva h LEU 667 CO 0.04 0.01 -0.17 0.58 0.09 0.00 0.00 178.44 178.98 3iva h VAL 668 N -0.97 0.57 0.00 1.22 2.07 -1.33 -1.99 116.25 115.83 3iva h VAL 668 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3iva h VAL 668 Cb 0.53 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3iva h VAL 668 CO 0.08 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.96 3iva n LYS 669 N -5.31 0.06 -1.84 1.57 4.76 -0.42 -4.79 118.16 112.19 3iva n LYS 669 Ca -0.04 0.14 -0.07 0.00 -2.87 0.00 0.00 58.31 55.47 3iva n LYS 669 Cb 0.22 -1.58 -0.01 0.00 -1.84 0.00 0.00 35.03 31.82 3iva n LYS 669 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3iva n GLY 670 N 0.93 0.35 3.67 0.72 0.00 0.24 -4.99 105.19 106.12 3iva n GLY 670 Ca 0.05 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 3iva n GLY 670 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iva s ILE 671 N -2.33 4.31 -0.19 -0.61 -1.09 0.47 -4.91 121.20 116.86 3iva s ILE 671 Ca 0.00 1.61 0.09 0.00 -2.23 0.00 0.00 60.65 60.11 3iva s ILE 671 Cb 0.00 -4.04 -0.22 0.00 -1.58 0.00 0.00 42.46 36.62 3iva s ILE 671 CO 0.00 -0.07 0.09 0.41 -1.23 0.00 0.00 174.94 174.14 3iva n THR 672 N 4.99 1.51 -0.35 2.92 -1.04 -1.26 -4.46 114.28 116.59 3iva n THR 672 Ca 0.12 -0.72 0.24 0.00 -2.04 0.00 0.00 64.05 61.65 3iva n THR 672 Cb 0.46 -1.04 0.49 0.00 -1.82 0.00 0.00 70.33 68.41 3iva n THR 672 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3iva h GLU 673 N 0.01 0.36 -0.08 -2.82 3.07 -2.00 -2.62 114.58 110.51 3iva h GLU 673 Ca -0.51 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.33 3iva h GLU 673 Cb 2.07 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.90 3iva h GLU 673 CO 0.00 0.24 0.00 1.19 -1.40 0.00 0.00 179.01 179.04 3iva n PHE 674 N -4.84 0.08 0.04 4.33 3.72 -1.26 -4.60 117.46 114.94 3iva n PHE 674 Ca 0.29 -0.06 0.06 0.00 -0.05 0.00 0.00 57.45 57.69 3iva n PHE 674 Cb 0.96 -0.00 0.48 0.00 -0.94 0.00 0.00 39.48 39.98 3iva n PHE 674 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 176.76 177.68 3iva h ILE 675 N 3.06 1.05 0.22 4.37 6.09 -1.68 -3.00 117.51 127.62 3iva h ILE 675 Ca 0.00 -0.14 -0.01 0.00 -1.37 0.00 0.00 64.86 63.34 3iva h ILE 675 Cb 0.68 0.60 0.00 0.00 0.47 0.00 0.00 36.82 38.57 3iva h ILE 675 CO 0.00 0.08 -0.11 -0.33 -3.07 0.00 0.00 178.15 174.72 3iva h GLU 676 N 0.41 -0.28 -2.04 2.19 4.39 -1.81 -3.03 114.58 114.41 3iva h GLU 676 Ca 0.14 0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.71 3iva h GLU 676 Cb 0.04 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.71 3iva h GLU 676 CO -0.03 -0.19 -0.28 1.04 -1.16 0.00 0.00 179.01 178.39 3iva n GLN 677 N -3.21 1.73 0.00 2.33 3.00 -1.20 -2.94 117.38 117.09 3iva n GLN 677 Ca -0.04 -0.78 0.00 0.00 -0.01 0.00 0.00 57.00 56.18 3iva n GLN 677 Cb 0.12 -1.80 0.00 0.00 0.00 0.00 0.00 30.24 28.56 3iva n GLN 677 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 3iva n ASP 678 N 2.34 0.00 0.01 1.08 2.03 -1.14 -4.87 116.55 116.01 3iva n ASP 678 Ca 0.33 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.75 3iva n ASP 678 Cb 0.80 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 41.07 3iva n ASP 678 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 3iva n THR 679 N -0.14 0.13 0.19 5.18 5.66 -1.14 -3.64 114.28 120.52 3iva n THR 679 Ca 0.00 -0.50 0.07 0.00 -3.05 0.00 0.00 64.05 60.57 3iva n THR 679 Cb 0.00 -0.06 0.32 0.00 -1.55 0.00 0.00 70.33 69.04 3iva n THR 679 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 3iva h GLU 680 N 0.00 0.00 0.01 1.09 4.57 -1.82 -2.10 114.58 116.32 3iva h GLU 680 Ca 0.00 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 57.95 3iva h GLU 680 Cb 0.99 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.55 3iva h GLU 680 CO 0.00 0.32 -1.17 1.49 -1.18 0.00 0.00 179.01 178.47 3iva h GLU 681 N 0.00 0.01 0.00 1.92 4.81 -1.87 -3.27 114.58 116.18 3iva h GLU 681 Ca -0.00 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 3iva h GLU 681 Cb 0.93 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 3iva h GLU 681 CO 0.04 0.89 -0.26 0.00 -0.73 0.00 0.00 179.01 178.95 3iva h ALA 682 N 0.98 0.86 0.00 2.92 0.00 -1.56 -3.12 119.26 119.34 3iva h ALA 682 Ca -0.08 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 3iva h ALA 682 Cb 1.83 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.57 3iva h ALA 682 CO 0.12 0.33 -0.55 0.07 0.00 0.00 0.00 179.25 179.22 3iva h ARG 683 N 0.00 0.00 -0.08 0.00 0.11 -1.44 -2.98 114.38 109.99 3iva h ARG 683 Ca -0.00 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.05 3iva h ARG 683 Cb 1.11 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.18 3iva h ARG 683 CO 0.03 0.55 -0.04 1.96 0.10 0.00 0.00 179.97 182.57 3iva h GLN 684 N 0.00 0.17 -0.83 0.08 4.20 -1.59 -3.00 115.11 114.13 3iva h GLN 684 Ca -0.01 -0.07 0.09 0.00 0.06 0.00 0.00 58.65 58.72 3iva h GLN 684 Cb 1.30 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.02 3iva h GLN 684 CO 0.07 0.54 0.54 1.96 -0.67 0.00 0.00 178.83 181.28 3iva h GLN 685 N -0.21 0.81 -7.11 1.46 4.20 -1.56 -3.42 115.11 109.27 3iva h GLN 685 Ca 0.02 -0.05 -0.47 0.00 0.06 0.00 0.00 58.65 58.21 3iva h GLN 685 Cb 0.50 -0.18 0.02 0.00 0.30 0.00 0.00 27.48 28.12 3iva h GLN 685 CO 0.01 0.53 0.37 0.00 -0.67 0.00 0.00 178.83 179.08 3iva s ALA 686 N -5.76 2.90 -0.35 3.87 0.00 -1.13 -4.96 121.76 116.34 3iva s ALA 686 Ca -0.10 0.48 0.24 0.00 0.00 0.00 0.00 51.96 52.58 3iva s ALA 686 Cb 0.20 -3.21 0.48 0.00 0.00 0.00 0.00 23.12 20.59 3iva s ALA 686 CO 0.79 -0.31 1.66 1.79 0.00 0.00 0.00 175.76 179.69 3iva h THR 687 N 1.35 0.03 -3.38 0.00 1.35 -1.81 -3.47 112.91 106.99 3iva h THR 687 Ca -0.49 -0.97 -0.10 0.00 -0.55 0.00 0.00 66.41 64.30 3iva h THR 687 Cb 1.21 1.94 -0.17 0.00 -1.73 0.00 0.00 68.15 69.40 3iva h THR 687 CO 0.59 0.02 -0.30 0.00 -0.25 0.00 0.00 175.52 175.58 3iva s ARG 688 N -3.27 0.77 0.50 4.72 1.70 -1.26 -5.06 118.95 117.04 3iva s ARG 688 Ca 0.06 -0.54 0.24 0.00 -0.47 0.00 0.00 55.73 55.02 3iva s ARG 688 Cb 0.06 0.33 1.31 0.00 -0.57 0.00 0.00 34.95 36.08 3iva s ARG 688 CO 0.65 -0.24 1.94 -1.35 -1.08 0.00 0.00 175.30 175.22 3iva h PRO 689 N 3.31 0.13 0.00 3.89 0.11 -1.89 -2.25 132.00 135.30 3iva h PRO 689 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3iva h PRO 689 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3iva h PRO 689 CO 0.47 0.09 0.00 0.00 -0.21 0.00 0.00 178.00 178.34 3iva h GLU 691 N 0.00 0.00 -0.11 0.00 5.08 -1.80 -1.76 114.58 115.98 3iva h GLU 691 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 3iva h GLU 691 Cb 0.34 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.60 3iva h GLU 691 CO 0.00 0.69 -0.48 -0.39 -1.00 0.00 0.00 179.01 177.83 3iva h VAL 692 N 0.00 1.36 0.16 3.13 -1.51 -1.73 0.34 116.25 118.00 3iva h VAL 692 Ca -0.01 -1.80 -0.01 0.00 -1.23 0.00 0.00 66.70 63.66 3iva h VAL 692 Cb 1.46 2.16 0.00 0.00 -2.13 0.00 0.00 31.29 32.79 3iva h VAL 692 CO 0.09 0.54 -0.08 0.40 -1.23 0.00 0.00 177.57 177.29 3iva h ILE 693 N 0.13 0.97 0.00 7.19 5.03 -1.70 -1.84 117.51 127.29 3iva h ILE 693 Ca -0.03 -0.71 0.00 0.00 -0.12 0.00 0.00 64.86 64.00 3iva h ILE 693 Cb 1.12 1.40 0.00 0.00 -3.03 0.00 0.00 36.82 36.31 3iva h ILE 693 CO 0.10 0.16 0.00 1.21 -0.68 0.00 0.00 178.15 178.94 3iva n GLU 694 N -5.03 0.02 0.00 2.37 2.13 -0.66 -2.68 120.64 116.79 3iva n GLU 694 Ca -0.09 0.17 0.00 0.00 0.66 0.00 0.00 57.16 57.90 3iva n GLU 694 Cb 0.23 -1.52 0.00 0.00 0.27 0.00 0.00 31.44 30.41 3iva n GLU 694 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3iva n GLY 695 N 0.55 0.21 0.37 8.31 0.00 0.12 -4.69 105.19 110.05 3iva n GLY 695 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.09 3iva n GLY 695 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iva h PRO 696 N 0.00 1.08 -1.01 1.61 0.13 -1.73 -1.41 132.00 130.67 3iva h PRO 696 Ca 0.00 -0.06 0.14 0.00 -0.87 0.00 0.00 66.00 65.21 3iva h PRO 696 Cb 0.00 -0.24 -0.09 0.00 0.13 0.00 0.00 31.00 30.80 3iva h PRO 696 CO 0.00 0.71 0.63 1.25 -0.23 0.00 0.00 178.00 180.36 3iva h LEU 697 N 1.11 0.89 0.00 1.56 5.85 -1.50 -1.65 115.31 121.58 3iva h LEU 697 Ca 0.39 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 59.11 3iva h LEU 697 Cb 0.11 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3iva h LEU 697 CO -0.13 0.43 -1.15 0.24 -0.34 0.00 0.00 178.44 177.48 3iva h MET 698 N 0.93 0.00 -0.58 1.25 2.86 -1.20 -3.29 114.93 114.90 3iva h MET 698 Ca 0.52 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 58.15 3iva h MET 698 Cb 0.61 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 3iva h MET 698 CO -0.30 0.11 0.31 -0.44 1.06 0.00 0.00 176.91 177.65 3iva h ASP 699 N 0.00 0.73 -0.52 1.22 3.32 -0.35 0.01 116.42 120.83 3iva h ASP 699 Ca -0.06 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 3iva h ASP 699 Cb 1.22 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 3iva h ASP 699 CO 0.02 0.62 0.22 1.23 -1.72 0.00 0.00 179.24 179.60 3iva h GLY 700 N 0.78 0.83 1.92 2.75 0.00 -1.54 -1.57 103.07 106.24 3iva h GLY 700 Ca 0.20 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 3iva h GLY 700 CO -0.03 0.42 -0.16 -0.33 0.00 0.00 0.00 176.54 176.44 3iva h MET 701 N 0.70 0.10 0.00 4.80 2.86 -1.54 0.18 114.93 122.03 3iva h MET 701 Ca 0.17 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.70 3iva h MET 701 Cb 0.18 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 3iva h MET 701 CO -0.02 0.27 -0.44 -0.97 1.06 0.00 0.00 176.91 176.81 3iva h ASN 702 N 0.10 0.00 -0.13 1.22 -1.24 -0.36 0.12 115.58 115.29 3iva h ASN 702 Ca 0.02 0.00 -0.22 0.00 0.71 0.00 0.00 56.30 56.81 3iva h ASN 702 Cb 0.34 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.40 3iva h ASN 702 CO 0.02 0.44 -0.77 0.58 -1.29 0.00 0.00 177.43 176.41 3iva h VAL 703 N 0.00 1.29 -0.82 2.57 2.07 0.06 -2.74 116.25 118.68 3iva h VAL 703 Ca -0.00 -1.99 -0.03 0.00 0.82 0.00 0.00 66.70 65.50 3iva h VAL 703 Cb 0.81 2.07 -0.04 0.00 -1.52 0.00 0.00 31.29 32.61 3iva h VAL 703 CO 0.06 0.62 0.41 0.58 0.02 0.00 0.00 177.57 179.26 3iva h VAL 704 N 0.46 1.25 0.02 2.57 2.07 -0.27 -0.76 116.25 121.60 3iva h VAL 704 Ca -0.06 -0.70 0.01 0.00 0.82 0.00 0.00 66.70 66.77 3iva h VAL 704 Cb 1.41 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3iva h VAL 704 CO 0.16 0.30 -0.06 1.23 0.02 0.00 0.00 177.57 179.22 3iva h GLY 705 N 1.17 -0.08 1.95 2.17 0.00 -0.65 0.17 103.07 107.79 3iva h GLY 705 Ca 0.28 0.06 -0.20 0.00 0.00 0.00 0.00 47.33 47.47 3iva h GLY 705 CO -0.04 -0.06 -0.96 1.29 0.00 0.00 0.00 176.54 176.77 3iva h ASP 706 N -0.11 0.06 -0.26 0.19 -0.00 -1.46 -1.28 116.42 113.56 3iva h ASP 706 Ca 0.01 -0.06 0.01 0.00 -0.00 0.00 0.00 57.03 56.99 3iva h ASP 706 Cb 0.13 -0.02 -0.02 0.00 -0.00 0.00 0.00 39.33 39.42 3iva h ASP 706 CO -0.04 0.98 0.15 0.25 -0.00 0.00 0.00 179.24 180.58 3iva h LEU 707 N 0.02 0.23 -0.46 0.15 5.85 -1.03 -1.18 115.31 118.89 3iva h LEU 707 Ca -0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3iva h LEU 707 Cb 1.68 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.64 3iva h LEU 707 CO 0.13 0.17 0.24 0.15 -0.34 0.00 0.00 178.44 178.79 3iva h PHE 708 N 0.30 0.65 0.00 1.25 3.57 -0.60 -2.49 116.94 119.63 3iva h PHE 708 Ca 0.10 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3iva h PHE 708 Cb 0.00 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.54 3iva h PHE 708 CO -0.08 0.50 0.00 0.78 -2.23 0.00 0.00 178.31 177.28 3iva h GLY 709 N 0.60 0.00 0.68 2.40 0.00 -0.63 -2.43 103.07 103.69 3iva h GLY 709 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3iva h GLY 709 CO -0.02 0.00 -1.14 1.18 0.00 0.00 0.00 176.54 176.56 3iva n GLU 710 N -2.29 0.45 -0.51 4.80 1.02 -0.50 -4.97 120.64 118.63 3iva n GLU 710 Ca 0.01 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3iva n GLU 710 Cb 0.16 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 3iva n GLU 710 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iva n GLY 711 N 1.29 1.32 0.41 0.62 0.00 -0.91 -4.95 105.19 102.96 3iva n GLY 711 Ca 0.00 -0.28 0.04 0.00 0.00 0.00 0.00 46.02 45.78 3iva n GLY 711 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iva n LYS 712 N -1.37 1.50 -3.66 1.61 5.02 -1.08 -4.98 118.16 115.20 3iva n LYS 712 Ca 0.00 -1.45 -0.15 0.00 -2.02 0.00 0.00 58.31 54.70 3iva n LYS 712 Cb 0.11 -1.18 -0.08 0.00 -0.02 0.00 0.00 35.03 33.85 3iva n LYS 712 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 3iva s MET 713 N -0.85 0.76 0.30 1.97 1.75 -1.24 -4.91 119.30 117.08 3iva s MET 713 Ca 0.14 0.34 0.04 0.00 -1.25 0.00 0.00 55.69 54.96 3iva s MET 713 Cb 0.08 0.36 -0.06 0.00 2.84 0.00 0.00 34.83 38.05 3iva s MET 713 CO 0.11 -0.18 0.03 -0.06 -0.65 0.00 0.00 175.02 174.27 3iva s PHE 714 N -0.59 1.90 0.23 4.11 0.08 -1.26 -4.52 117.98 117.93 3iva s PHE 714 Ca -0.07 -0.90 -0.16 0.00 0.12 0.00 0.00 56.93 55.92 3iva s PHE 714 Cb -0.03 -1.20 0.25 0.00 -0.57 0.00 0.00 43.02 41.48 3iva s PHE 714 CO 0.04 0.06 1.57 1.25 -0.10 0.00 0.00 175.22 178.05 3iva h LEU 715 N 2.20 -1.14 -0.97 -0.37 5.85 -1.85 -0.20 115.31 118.82 3iva h LEU 715 Ca -0.40 0.27 0.18 0.00 0.84 0.00 0.00 57.88 58.76 3iva h LEU 715 Cb 1.24 0.63 -0.10 0.00 0.37 0.00 0.00 40.66 42.79 3iva h LEU 715 CO 0.68 -0.29 0.58 -0.65 -0.34 0.00 0.00 178.44 178.42 3iva h PRO 716 N -0.05 0.73 -0.17 5.25 0.11 -1.95 -1.12 132.00 134.81 3iva h PRO 716 Ca 0.34 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 66.20 3iva h PRO 716 Cb 0.60 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.55 3iva h PRO 716 CO -0.86 0.48 -0.71 1.96 -0.21 0.00 0.00 178.00 178.66 3iva h GLN 717 N 0.75 0.72 -0.43 1.05 4.20 -1.49 -3.14 115.11 116.77 3iva h GLN 717 Ca 0.55 -0.55 0.03 0.00 0.06 0.00 0.00 58.65 58.74 3iva h GLN 717 Cb 0.82 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.66 3iva h GLN 717 CO -0.37 1.17 0.22 0.28 -0.67 0.00 0.00 178.83 179.46 3iva h VAL 718 N 0.51 0.98 0.00 -0.54 2.07 -0.10 -1.01 116.25 118.16 3iva h VAL 718 Ca -0.03 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 3iva h VAL 718 Cb 1.31 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 3iva h VAL 718 CO 0.14 0.08 -0.18 -0.37 0.02 0.00 0.00 177.57 177.26 3iva h VAL 719 N 0.44 0.90 -0.02 2.57 -1.51 -1.35 -0.99 116.25 116.31 3iva h VAL 719 Ca 0.19 -0.69 -0.10 0.00 -1.23 0.00 0.00 66.70 64.87 3iva h VAL 719 Cb 0.09 1.40 -0.01 0.00 -2.13 0.00 0.00 31.29 30.63 3iva h VAL 719 CO -0.13 0.18 -0.45 0.11 -1.23 0.00 0.00 177.57 176.05 3iva h LYS 720 N 0.00 0.04 -0.22 5.19 1.57 -1.16 -1.27 116.57 120.72 3iva h LYS 720 Ca -0.00 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.59 3iva h LYS 720 Cb 0.38 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 3iva h LYS 720 CO 0.02 0.48 -0.54 0.77 -0.57 0.00 0.00 179.45 179.61 3iva h SER 721 N 0.03 0.72 -0.61 0.86 0.02 -0.42 -2.86 113.55 111.29 3iva h SER 721 Ca -0.00 -0.38 -0.03 0.00 -0.84 0.00 0.00 61.79 60.54 3iva h SER 721 Cb 0.81 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 3iva h SER 721 CO 0.06 1.12 0.30 0.00 -1.14 0.00 0.00 176.83 177.16 3iva h ALA 722 N 0.90 1.31 -0.11 3.77 0.00 -0.76 -0.46 119.26 123.91 3iva h ALA 722 Ca 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3iva h ALA 722 Cb 1.10 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3iva h ALA 722 CO 0.11 0.53 -0.04 -0.09 0.00 0.00 0.00 179.25 179.75 3iva h ARG 723 N 0.91 0.16 0.12 0.00 2.43 -1.02 0.34 114.38 117.32 3iva h ARG 723 Ca 0.22 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 59.16 3iva h ARG 723 Cb 0.11 -0.03 0.02 0.00 -0.42 0.00 0.00 29.97 29.66 3iva h ARG 723 CO -0.03 0.22 -0.91 0.28 -1.51 0.00 0.00 179.97 178.02 3iva h VAL 724 N 0.15 1.44 0.36 0.20 2.07 -1.19 -2.81 116.25 116.47 3iva h VAL 724 Ca 0.04 -2.45 -0.02 0.00 0.82 0.00 0.00 66.70 65.09 3iva h VAL 724 Cb 0.18 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 3iva h VAL 724 CO 0.01 0.71 -0.17 -0.03 0.02 0.00 0.00 177.57 178.11 3iva h MET 725 N -0.17 -0.46 -0.15 1.57 1.85 -0.68 -0.43 114.93 116.46 3iva h MET 725 Ca -0.15 0.03 0.04 0.00 -0.61 0.00 0.00 59.70 59.02 3iva h MET 725 Cb 1.68 0.11 -0.01 0.00 0.43 0.00 0.00 31.60 33.80 3iva h MET 725 CO 0.17 -0.31 0.50 -0.22 -0.40 0.00 0.00 176.91 176.65 3iva h LYS 726 N -0.50 0.00 0.00 0.39 3.64 -0.50 1.08 116.57 120.69 3iva h LYS 726 Ca -0.05 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 3iva h LYS 726 Cb 0.37 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3iva h LYS 726 CO 0.08 0.00 -1.22 0.94 -2.27 0.00 0.00 179.45 176.98 3iva n GLN 727 N -3.05 0.62 0.12 1.90 7.27 -1.06 -2.43 117.38 120.76 3iva n GLN 727 Ca 0.02 0.09 -0.21 0.00 0.07 0.00 0.00 57.00 56.97 3iva n GLN 727 Cb 0.58 -1.78 -0.14 0.00 2.41 0.00 0.00 30.24 31.32 3iva n GLN 727 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3iva h ALA 728 N 1.90 -0.02 -0.17 1.69 0.00 0.29 -3.05 119.26 119.89 3iva h ALA 728 Ca -0.03 -0.83 -0.07 0.00 0.00 0.00 0.00 54.91 53.98 3iva h ALA 728 Cb 1.10 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3iva h ALA 728 CO 0.01 0.77 -0.15 0.28 0.00 0.00 0.00 179.25 180.16 3iva h VAL 729 N 0.17 1.33 -0.64 0.00 2.07 -1.13 -2.04 116.25 116.01 3iva h VAL 729 Ca -0.20 -1.29 0.13 0.00 0.82 0.00 0.00 66.70 66.17 3iva h VAL 729 Cb 2.02 1.79 -0.10 0.00 -1.52 0.00 0.00 31.29 33.48 3iva h VAL 729 CO 0.24 0.39 0.06 0.00 0.02 0.00 0.00 177.57 178.28 3iva h ALA 730 N 0.64 0.70 -0.02 1.67 0.00 -1.54 0.54 119.26 121.25 3iva h ALA 730 Ca 0.03 0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 3iva h ALA 730 Cb 0.68 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3iva h ALA 730 CO 0.04 -0.37 -0.58 -0.92 0.00 0.00 0.00 179.25 177.42 3iva h TYR 731 N 0.17 0.07 -0.55 0.00 3.20 -1.53 -3.14 116.97 115.20 3iva h TYR 731 Ca 0.34 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.18 3iva h TYR 731 Cb 0.55 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.81 3iva h TYR 731 CO -0.32 0.63 0.00 -0.11 -1.64 0.00 0.00 178.16 176.72 3iva n LEU 732 N -3.86 4.08 0.03 2.82 0.00 0.58 -4.22 117.00 116.42 3iva n LEU 732 Ca -0.01 -2.06 -0.02 0.00 0.00 0.00 0.00 56.01 53.92 3iva n LEU 732 Cb 0.59 -0.53 -0.09 0.00 0.00 0.00 0.00 43.42 43.39 3iva n LEU 732 CO 0.42 0.70 -0.29 1.05 0.00 0.00 0.00 177.39 179.27 3iva h GLU 733 N 3.46 0.00 0.00 1.96 4.11 -0.04 -3.19 114.58 120.88 3iva h GLU 733 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 3iva h GLU 733 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 3iva h GLU 733 CO 0.20 0.37 -0.34 -1.35 0.07 0.00 0.00 179.01 177.96 3iva h PRO 734 N 0.00 0.00 0.08 1.06 0.11 -1.78 -2.64 132.00 128.84 3iva h PRO 734 Ca -0.18 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.67 3iva h PRO 734 Cb 1.68 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.78 3iva h PRO 734 CO 0.06 0.34 -1.23 0.74 -0.21 0.00 0.00 178.00 177.70 3iva h PHE 735 N 0.00 0.32 0.40 0.65 0.04 -1.83 -3.02 116.94 113.50 3iva h PHE 735 Ca -0.00 -0.23 -0.02 0.00 2.80 0.00 0.00 57.97 60.51 3iva h PHE 735 Cb 0.79 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.93 3iva h PHE 735 CO 0.00 1.20 -0.19 0.82 -0.60 0.00 0.00 178.31 179.54 3iva h ILE 736 N 0.05 0.00 -0.65 -0.55 2.04 -1.51 -3.18 117.51 113.70 3iva h ILE 736 Ca -0.12 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.17 3iva h ILE 736 Cb 1.92 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.96 3iva h ILE 736 CO 0.17 0.00 0.42 1.05 0.00 0.00 0.00 178.15 179.79 3iva h GLU 737 N -1.13 0.80 -0.11 2.37 4.11 -1.66 0.78 114.58 119.75 3iva h GLU 737 Ca -0.05 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.33 3iva h GLU 737 Cb 0.41 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3iva h GLU 737 CO 0.09 0.53 0.00 0.00 0.07 0.00 0.00 179.01 179.70 3iva n ALA 738 N -2.29 2.02 -2.15 1.06 0.00 -1.14 -1.40 120.51 116.61 3iva n ALA 738 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.48 3iva n ALA 738 Cb 0.06 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 3iva n ALA 738 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3iva n SER 739 N -0.36 -0.14 -0.32 0.00 7.64 -0.18 -5.01 113.62 115.25 3iva n SER 739 Ca 0.00 -1.84 0.00 0.00 1.01 0.00 0.00 58.87 58.04 3iva n SER 739 Cb 0.03 0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 3iva n SER 739 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3iva n LYS 740 N 0.15 0.00 -0.40 1.43 4.76 0.09 -4.95 118.16 119.24 3iva n LYS 740 Ca -0.10 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 3iva n LYS 740 Cb 0.80 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.99 3iva n LYS 740 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3iva n GLU 741 N -0.65 -0.72 -0.46 1.97 1.02 -1.26 -4.38 120.64 116.16 3iva n GLU 741 Ca 0.00 0.66 0.11 0.00 -0.02 0.00 0.00 57.16 57.91 3iva n GLU 741 Cb 0.00 -0.57 0.33 0.00 -0.02 0.00 0.00 31.44 31.19 3iva n GLU 741 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3iva n GLN 742 N -0.16 3.05 -1.79 3.49 3.00 -1.26 -4.65 117.38 119.06 3iva n GLN 742 Ca 0.00 -2.69 0.00 0.00 -0.01 0.00 0.00 57.00 54.30 3iva n GLN 742 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 30.24 28.56 3iva n GLN 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3iva n LYS 744 N 0.10 2.37 -4.34 0.00 3.00 -1.26 -5.01 118.16 113.03 3iva n LYS 744 Ca 0.00 0.84 -0.17 0.00 -0.00 0.00 0.00 58.31 58.98 3iva n LYS 744 Cb 0.00 -2.57 -0.10 0.00 0.00 0.00 0.00 35.03 32.36 3iva n LYS 744 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3iva s THR 745 N 0.02 0.86 -1.71 3.15 -4.23 -1.26 -4.88 115.64 107.58 3iva s THR 745 Ca 0.67 -2.01 0.27 0.00 -1.18 0.00 0.00 61.69 59.44 3iva s THR 745 Cb -0.57 -2.51 0.31 0.00 1.34 0.00 0.00 72.50 71.07 3iva s THR 745 CO 0.48 -0.16 1.64 0.59 -0.54 0.00 0.00 174.62 176.63 3iva n ASN 746 N -0.47 0.87 0.00 3.99 4.13 -1.23 -5.00 115.26 117.56 3iva n ASN 746 Ca -0.03 -0.79 0.00 0.00 1.68 0.00 0.00 54.58 55.44 3iva n ASN 746 Cb 0.65 0.08 0.00 0.00 -1.54 0.00 0.00 39.78 38.97 3iva n ASN 746 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3iva n GLY 747 N 1.33 4.09 3.65 7.41 0.00 -1.26 -4.92 105.19 115.49 3iva n GLY 747 Ca 0.13 -1.22 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 3iva n GLY 747 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iva s LYS 748 N -2.85 2.39 -0.15 1.61 2.20 -1.26 0.74 119.74 122.42 3iva s LYS 748 Ca 0.00 -1.01 -0.13 0.00 -0.36 0.00 0.00 55.97 54.47 3iva s LYS 748 Cb 0.00 -2.40 0.04 0.00 -1.51 0.00 0.00 37.83 33.96 3iva s LYS 748 CO 0.00 0.49 0.39 1.41 -0.36 0.00 0.00 175.35 177.28 3iva s MET 749 N -2.61 0.45 -0.26 4.03 -2.45 0.52 -1.78 119.30 117.20 3iva s MET 749 Ca 0.26 0.57 -0.11 0.00 -1.25 0.00 0.00 55.69 55.16 3iva s MET 749 Cb -0.10 0.19 -0.05 0.00 1.25 0.00 0.00 34.83 36.12 3iva s MET 749 CO 0.18 -0.07 0.18 0.08 1.05 0.00 0.00 175.02 176.43 3iva s VAL 750 N 0.35 5.33 -0.01 10.11 1.01 -0.67 -0.38 120.40 136.14 3iva s VAL 750 Ca -0.01 0.17 0.08 0.00 0.00 0.00 0.00 61.98 62.22 3iva s VAL 750 Cb -0.03 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 3iva s VAL 750 CO -0.01 0.30 -0.25 -0.51 0.00 0.00 0.00 175.10 174.63 3iva s ILE 751 N 1.43 2.19 -0.11 2.22 1.10 0.14 0.11 121.20 128.28 3iva s ILE 751 Ca 0.07 -1.14 -0.30 0.00 -0.51 0.00 0.00 60.65 58.78 3iva s ILE 751 Cb -0.15 -1.79 0.11 0.00 0.15 0.00 0.00 42.46 40.78 3iva s ILE 751 CO 0.08 0.53 0.90 0.00 -2.11 0.00 0.00 174.94 174.33 3iva s ALA 752 N -0.67 -1.87 -0.21 1.50 0.00 -0.92 -1.04 121.76 118.55 3iva s ALA 752 Ca 0.11 1.42 -0.20 0.00 0.00 0.00 0.00 51.96 53.29 3iva s ALA 752 Cb -0.10 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 3iva s ALA 752 CO -0.00 -0.38 0.60 0.99 0.00 0.00 0.00 175.76 176.97 3iva s THR 753 N -1.45 5.04 0.54 0.00 2.01 0.58 -1.80 115.64 120.56 3iva s THR 753 Ca -0.03 1.12 -0.14 0.00 0.31 0.00 0.00 61.69 62.95 3iva s THR 753 Cb -0.00 -3.92 -0.12 0.00 0.01 0.00 0.00 72.50 68.47 3iva s THR 753 CO 0.02 0.11 -0.30 0.52 -0.69 0.00 0.00 174.62 174.29 3iva n VAL 754 N 4.73 0.00 -1.73 3.82 0.31 -0.50 -2.06 118.33 122.90 3iva n VAL 754 Ca -0.02 -0.40 -0.42 0.00 -0.01 0.00 0.00 64.34 63.49 3iva n VAL 754 Cb 0.50 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.42 3iva n VAL 754 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3iva n LYS 755 N 1.48 2.41 0.00 5.55 4.81 -0.72 -2.38 118.16 129.31 3iva n LYS 755 Ca 0.03 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 3iva n LYS 755 Cb 0.40 -2.53 0.00 0.00 0.02 0.00 0.00 35.03 32.91 3iva n LYS 755 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3iva n GLY 756 N 1.27 2.51 3.87 3.14 0.00 -1.26 -4.89 105.19 109.83 3iva n GLY 756 Ca 0.06 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3iva n GLY 756 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3iva s ASP 757 N 0.29 6.21 0.00 1.61 -1.08 -1.00 -4.45 116.67 118.24 3iva s ASP 757 Ca 0.00 1.40 0.00 0.00 -0.52 0.00 0.00 52.55 53.43 3iva s ASP 757 Cb 0.00 -2.45 0.00 0.00 -1.46 0.00 0.00 42.92 39.01 3iva s ASP 757 CO 0.00 -0.88 0.00 0.55 0.52 0.00 0.00 175.17 175.36 3iva n VAL 758 N -2.74 0.00 -2.51 1.11 3.14 -1.26 -1.81 118.33 114.26 3iva n VAL 758 Ca 0.06 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 61.02 3iva n VAL 758 Cb 0.54 0.11 -0.03 0.00 -1.06 0.00 0.00 33.84 33.40 3iva n VAL 758 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 3iva s HIS 759 N -0.77 3.47 0.00 1.45 5.04 -1.26 -4.83 115.29 118.38 3iva s HIS 759 Ca 0.00 1.40 0.00 0.00 -1.54 0.00 0.00 55.06 54.92 3iva s HIS 759 Cb 0.00 -3.33 0.00 0.00 0.04 0.00 0.00 32.58 29.29 3iva s HIS 759 CO 0.00 -0.92 0.66 -0.40 -2.34 0.00 0.00 174.74 171.74 3iva n ASP 760 N 4.12 0.71 -0.07 9.88 3.85 -1.26 -4.75 116.55 129.03 3iva n ASP 760 Ca 0.08 -1.34 -0.07 0.00 -0.71 0.00 0.00 54.79 52.75 3iva n ASP 760 Cb 0.48 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.23 3iva n ASP 760 CO 0.00 0.00 0.00 0.40 -1.01 0.00 0.00 177.20 176.59 3iva h ILE 761 N 1.85 0.75 -0.93 2.12 2.04 -1.99 0.44 117.51 121.80 3iva h ILE 761 Ca 0.00 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.87 3iva h ILE 761 Cb 0.79 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 3iva h ILE 761 CO 0.00 0.00 0.61 1.23 0.00 0.00 0.00 178.15 180.00 3iva h GLY 762 N 0.02 1.31 0.87 5.37 0.00 -1.97 -2.26 103.07 106.42 3iva h GLY 762 Ca 0.13 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 3iva h GLY 762 CO -0.26 0.46 -0.07 1.70 0.00 0.00 0.00 176.54 178.36 3iva h LYS 763 N 1.23 -0.20 -0.76 4.80 3.64 -1.69 -1.64 116.57 121.95 3iva h LYS 763 Ca 0.35 0.01 0.21 0.00 -1.27 0.00 0.00 60.65 59.95 3iva h LYS 763 Cb -0.10 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 3iva h LYS 763 CO -0.08 -0.03 0.53 -0.91 -2.27 0.00 0.00 179.45 176.69 3iva h ASN 764 N -0.34 0.08 -0.00 4.20 -0.26 -0.57 0.55 115.58 119.24 3iva h ASN 764 Ca -0.02 0.01 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 3iva h ASN 764 Cb 0.27 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.52 3iva h ASN 764 CO 0.04 0.04 -0.02 0.40 -1.06 0.00 0.00 177.43 176.82 3iva h ILE 765 N 0.08 1.57 -0.64 2.81 2.04 -0.97 -2.07 117.51 120.33 3iva h ILE 765 Ca 0.37 -1.70 0.06 0.00 1.00 0.00 0.00 64.86 64.59 3iva h ILE 765 Cb 1.33 2.71 -0.05 0.00 -0.74 0.00 0.00 36.82 40.06 3iva h ILE 765 CO -0.04 0.44 0.34 0.58 0.00 0.00 0.00 178.15 179.48 3iva h VAL 766 N -0.69 0.95 0.09 1.67 2.07 -0.31 -1.98 116.25 118.04 3iva h VAL 766 Ca -0.00 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3iva h VAL 766 Cb 0.74 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3iva h VAL 766 CO 0.00 0.12 -0.04 1.23 0.02 0.00 0.00 177.57 178.90 3iva h GLY 767 N 0.63 -0.12 1.01 2.17 0.00 -0.97 -2.20 103.07 103.58 3iva h GLY 767 Ca 0.29 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.67 3iva h GLY 767 CO -0.19 -0.04 0.43 -2.08 0.00 0.00 0.00 176.54 174.66 3iva h VAL 768 N -0.20 1.17 -1.00 4.60 2.07 -1.20 -1.87 116.25 119.82 3iva h VAL 768 Ca -0.01 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.19 3iva h VAL 768 Cb 0.16 0.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.10 3iva h VAL 768 CO 0.02 0.17 0.65 0.58 0.02 0.00 0.00 177.57 179.01 3iva h VAL 769 N 0.89 1.26 -0.32 2.57 2.07 -1.32 -1.92 116.25 119.49 3iva h VAL 769 Ca 0.24 -0.49 -0.11 0.00 0.82 0.00 0.00 66.70 67.17 3iva h VAL 769 Cb -0.09 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.46 3iva h VAL 769 CO -0.05 0.25 -0.24 -0.07 0.02 0.00 0.00 177.57 177.48 3iva h LEU 770 N 1.36 0.63 -1.57 2.57 3.38 -0.94 -2.02 115.31 118.72 3iva h LEU 770 Ca 0.37 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3iva h LEU 770 Cb -0.14 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3iva h LEU 770 CO -0.08 0.86 -0.19 1.56 0.09 0.00 0.00 178.44 180.68 3iva h GLN 771 N 0.55 0.00 0.00 1.13 4.20 -0.75 -0.67 115.11 119.56 3iva h GLN 771 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3iva h GLN 771 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 3iva h GLN 771 CO 0.05 0.19 0.00 0.00 -0.67 0.00 0.00 178.83 178.41 3iva n ASN 773 N -0.72 1.45 0.00 0.00 3.02 -0.30 -4.80 115.26 113.91 3iva n ASN 773 Ca 0.10 -2.72 0.00 0.00 -0.03 0.00 0.00 54.58 51.94 3iva n ASN 773 Cb 0.05 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 3iva n ASN 773 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3iva n ASN 774 N -0.86 0.00 -4.77 6.41 5.15 -0.74 -4.72 115.26 115.73 3iva n ASN 774 Ca 0.10 0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.67 3iva n ASN 774 Cb 0.68 -1.29 -0.01 0.00 -0.53 0.00 0.00 39.78 38.62 3iva n ASN 774 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 3iva s TYR 775 N -1.89 2.81 -0.06 1.20 2.02 -0.93 -3.50 117.35 117.00 3iva s TYR 775 Ca 0.00 1.27 -0.20 0.00 -0.37 0.00 0.00 57.07 57.77 3iva s TYR 775 Cb 0.00 -3.86 -0.04 0.00 -0.40 0.00 0.00 41.96 37.65 3iva s TYR 775 CO 0.00 -2.48 0.58 -2.00 -1.57 0.00 0.00 175.55 170.08 3iva s GLU 776 N -1.89 4.35 -0.12 -0.62 2.12 0.23 -3.89 118.70 118.88 3iva s GLU 776 Ca 0.51 0.66 0.03 0.00 0.36 0.00 0.00 54.97 56.54 3iva s GLU 776 Cb -0.43 -3.40 0.01 0.00 0.26 0.00 0.00 34.13 30.56 3iva s GLU 776 CO 0.58 0.21 -0.23 0.42 -0.54 0.00 0.00 175.26 175.70 3iva s ILE 777 N 0.38 2.03 -0.35 -3.70 1.09 -1.26 -0.35 121.20 119.04 3iva s ILE 777 Ca 0.31 -0.98 -0.07 0.00 -1.10 0.00 0.00 60.65 58.81 3iva s ILE 777 Cb -0.17 -1.77 0.04 0.00 -1.06 0.00 0.00 42.46 39.50 3iva s ILE 777 CO 0.15 0.55 0.13 0.68 -0.10 0.00 0.00 174.94 176.34 3iva s VAL 778 N 0.59 3.95 -0.41 2.92 -7.23 0.49 -4.97 120.40 115.74 3iva s VAL 778 Ca -0.13 -1.09 -0.18 0.00 -1.81 0.00 0.00 61.98 58.78 3iva s VAL 778 Cb -0.17 -3.24 0.02 0.00 0.56 0.00 0.00 36.38 33.55 3iva s VAL 778 CO 0.03 -0.20 0.48 -0.62 -0.31 0.00 0.00 175.10 174.48 3iva s ASP 779 N 1.45 6.23 0.00 4.85 3.68 -1.26 -0.68 116.67 130.93 3iva s ASP 779 Ca -0.01 -0.52 0.28 0.00 2.13 0.00 0.00 52.55 54.44 3iva s ASP 779 Cb -0.20 -2.24 1.21 0.00 -1.45 0.00 0.00 42.92 40.24 3iva s ASP 779 CO 0.04 -0.59 1.91 0.18 0.13 0.00 0.00 175.17 176.84 3iva n LEU 780 N 5.73 0.01 0.00 -1.34 4.32 -0.21 -5.00 117.00 120.50 3iva n LEU 780 Ca -0.06 0.50 0.00 0.00 -0.02 0.00 0.00 56.01 56.43 3iva n LEU 780 Cb 0.48 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 41.78 3iva n LEU 780 CO 0.47 -0.01 0.00 0.61 -1.22 0.00 0.00 177.39 177.24 3iva n GLY 781 N 1.44 0.66 3.46 -0.72 0.00 -1.26 -4.89 105.19 103.88 3iva n GLY 781 Ca 0.07 -1.56 -0.22 0.00 0.00 0.00 0.00 46.02 44.30 3iva n GLY 781 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iva s VAL 782 N 0.00 1.57 -1.44 1.61 -7.23 -1.26 -0.31 120.40 113.35 3iva s VAL 782 Ca 0.00 -2.08 -0.06 0.00 -1.81 0.00 0.00 61.98 58.03 3iva s VAL 782 Cb 0.00 -2.62 0.03 0.00 0.56 0.00 0.00 36.38 34.35 3iva s VAL 782 CO 0.00 -0.17 0.51 0.23 -0.31 0.00 0.00 175.10 175.36 3iva n MET 783 N -0.67 -4.11 -2.84 4.82 2.81 -0.75 -4.88 117.12 111.50 3iva n MET 783 Ca -0.04 0.74 -0.42 0.00 -1.81 0.00 0.00 57.70 56.17 3iva n MET 783 Cb 0.65 -5.52 -0.04 0.00 -0.71 0.00 0.00 33.22 27.60 3iva n MET 783 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3iva s VAL 784 N -3.05 4.87 0.39 2.03 1.01 -0.87 -4.43 120.40 120.34 3iva s VAL 784 Ca 0.31 1.74 -0.27 0.00 0.00 0.00 0.00 61.98 63.77 3iva s VAL 784 Cb -0.15 -4.18 -0.09 0.00 0.00 0.00 0.00 36.38 31.95 3iva s VAL 784 CO 0.39 0.04 1.30 -2.84 0.00 0.00 0.00 175.10 174.00 3iva s PRO 785 N 1.95 4.06 0.48 2.72 0.02 -1.26 -1.76 135.00 141.22 3iva s PRO 785 Ca 0.41 2.17 0.22 0.00 0.02 0.00 0.00 61.00 63.82 3iva s PRO 785 Cb -0.17 -2.83 1.25 0.00 0.02 0.00 0.00 34.50 32.77 3iva s PRO 785 CO 0.15 -0.42 1.94 0.00 -0.33 0.00 0.00 177.00 178.34 3iva h ALA 786 N 2.84 2.38 0.54 -1.55 0.00 -1.96 -2.22 119.26 119.30 3iva h ALA 786 Ca -0.49 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 3iva h ALA 786 Cb 1.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3iva h ALA 786 CO 0.63 -0.58 -0.34 1.49 0.00 0.00 0.00 179.25 180.45 3iva h GLU 787 N 0.19 -0.81 0.00 0.00 4.57 -2.00 -2.18 114.58 114.35 3iva h GLU 787 Ca 0.34 0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.55 3iva h GLU 787 Cb 1.06 0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 29.83 3iva h GLU 787 CO -0.06 -0.54 -0.13 -0.22 -1.18 0.00 0.00 179.01 176.88 3iva h LYS 788 N -0.84 0.00 0.68 1.92 3.64 -1.79 -0.50 116.57 119.68 3iva h LYS 788 Ca -0.06 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 3iva h LYS 788 Cb 0.69 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.52 3iva h LYS 788 CO 0.05 0.13 -0.33 0.82 -2.27 0.00 0.00 179.45 177.85 3iva h ILE 789 N 0.00 0.23 0.00 2.00 2.04 -1.13 0.12 117.51 120.77 3iva h ILE 789 Ca -0.00 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 3iva h ILE 789 Cb 0.24 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3iva h ILE 789 CO 0.02 0.02 -0.24 -0.07 0.00 0.00 0.00 178.15 177.88 3iva h LEU 790 N -1.08 0.00 -0.06 1.44 4.07 -1.29 -2.18 115.31 116.20 3iva h LEU 790 Ca -0.09 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.62 3iva h LEU 790 Cb 0.74 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.48 3iva h LEU 790 CO 0.15 0.24 -1.06 -0.09 -1.08 0.00 0.00 178.44 176.60 3iva h ARG 791 N 0.00 0.36 -0.21 1.13 2.43 -0.98 -2.94 114.38 114.16 3iva h ARG 791 Ca -0.00 -0.46 -0.18 0.00 -0.81 0.00 0.00 59.98 58.53 3iva h ARG 791 Cb 0.65 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 3iva h ARG 791 CO 0.03 1.15 -0.59 1.15 -1.51 0.00 0.00 179.97 180.20 3iva h THR 792 N 0.17 1.29 -0.92 0.20 2.02 -0.58 0.34 112.91 115.43 3iva h THR 792 Ca -0.10 -1.79 0.04 0.00 0.77 0.00 0.00 66.41 65.32 3iva h THR 792 Cb 1.72 1.84 -0.05 0.00 -1.74 0.00 0.00 68.15 69.93 3iva h THR 792 CO 0.18 0.57 0.60 0.00 0.37 0.00 0.00 175.52 177.24 3iva h ALA 793 N 0.60 1.43 -0.01 6.16 0.00 -1.46 -1.58 119.26 124.40 3iva h ALA 793 Ca -0.01 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3iva h ALA 793 Cb 1.20 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3iva h ALA 793 CO 0.13 0.48 -0.26 0.87 0.00 0.00 0.00 179.25 180.47 3iva h LYS 794 N 1.14 0.19 -0.97 0.00 1.57 -1.45 -1.10 116.57 115.96 3iva h LYS 794 Ca 0.37 -0.19 0.20 0.00 -1.87 0.00 0.00 60.65 59.16 3iva h LYS 794 Cb 0.04 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.31 3iva h LYS 794 CO -0.12 0.91 0.61 1.49 -0.57 0.00 0.00 179.45 181.78 3iva h GLU 795 N -0.46 0.58 -0.81 3.15 4.57 -0.53 -2.76 114.58 118.33 3iva h GLU 795 Ca -0.03 -0.04 -0.47 0.00 -1.18 0.00 0.00 59.36 57.64 3iva h GLU 795 Cb 0.99 -0.13 -0.42 0.00 -0.16 0.00 0.00 28.75 29.03 3iva h GLU 795 CO 0.05 0.39 -0.90 1.33 -1.18 0.00 0.00 179.01 178.70 3iva n VAL 796 N -4.64 2.12 -0.76 0.32 0.24 -0.63 -5.06 118.33 109.92 3iva n VAL 796 Ca 0.22 -3.96 0.00 0.00 -2.04 0.00 0.00 64.34 58.55 3iva n VAL 796 Cb 0.64 -0.49 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 3iva n VAL 796 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3iva n ASN 797 N -0.61 -1.48 -4.56 -1.34 3.02 -0.99 -4.94 115.26 104.36 3iva n ASN 797 Ca 0.33 0.16 -0.33 0.00 -0.03 0.00 0.00 54.58 54.70 3iva n ASN 797 Cb 0.87 -0.31 -0.12 0.00 -0.61 0.00 0.00 39.78 39.61 3iva n ASN 797 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iva s ALA 798 N -0.07 2.91 -0.28 5.41 0.00 -0.45 -4.80 121.76 124.49 3iva s ALA 798 Ca 0.00 -0.94 0.20 0.00 0.00 0.00 0.00 51.96 51.22 3iva s ALA 798 Cb 0.00 -1.15 0.14 0.00 0.00 0.00 0.00 23.12 22.11 3iva s ALA 798 CO 0.00 0.58 1.37 -0.44 0.00 0.00 0.00 175.76 177.27 3iva h ASP 799 N 5.14 0.00 -5.06 0.00 3.32 -1.70 -3.47 116.42 114.65 3iva h ASP 799 Ca -0.48 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.44 3iva h ASP 799 Cb 1.17 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.53 3iva h ASP 799 CO 0.52 0.22 -0.52 -0.76 -1.72 0.00 0.00 179.24 176.98 3iva s LEU 800 N -6.09 1.76 -0.10 1.55 1.02 -1.17 -3.79 118.68 111.86 3iva s LEU 800 Ca 0.04 -0.45 0.03 0.00 0.02 0.00 0.00 54.13 53.77 3iva s LEU 800 Cb 0.07 0.60 0.00 0.00 0.02 0.00 0.00 46.19 46.89 3iva s LEU 800 CO 0.73 -0.47 -0.21 -0.63 0.02 0.00 0.00 176.35 175.80 3iva s ILE 801 N -2.26 1.81 -0.14 -0.59 1.01 -1.16 -1.68 121.20 118.19 3iva s ILE 801 Ca -0.08 -0.87 0.01 0.00 0.00 0.00 0.00 60.65 59.72 3iva s ILE 801 Cb -0.03 -1.58 -0.00 0.00 0.01 0.00 0.00 42.46 40.85 3iva s ILE 801 CO -0.03 0.50 -0.17 -0.83 0.00 0.00 0.00 174.94 174.41 3iva s GLY 802 N 0.50 1.44 -0.08 6.18 0.00 0.12 -1.60 107.32 113.88 3iva s GLY 802 Ca -0.16 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 43.56 3iva s GLY 802 CO 0.06 -0.07 -0.10 1.08 0.00 0.00 0.00 173.10 174.07 3iva s LEU 803 N 0.67 2.96 0.08 0.66 1.43 -0.47 -2.16 118.68 121.85 3iva s LEU 803 Ca -0.09 -0.13 0.09 0.00 -1.03 0.00 0.00 54.13 52.98 3iva s LEU 803 Cb -0.16 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 3iva s LEU 803 CO 0.02 0.32 -0.23 -0.55 0.23 0.00 0.00 176.35 176.13 3iva s SER 804 N -0.55 3.48 -0.29 2.29 0.15 -0.75 -1.44 113.70 116.60 3iva s SER 804 Ca 0.08 -0.60 -0.13 0.00 0.70 0.00 0.00 55.95 56.00 3iva s SER 804 Cb -0.12 -0.38 0.11 0.00 -1.71 0.00 0.00 66.02 63.92 3iva s SER 804 CO 0.02 0.22 0.67 -0.83 1.20 0.00 0.00 173.24 174.52 3iva s GLY 805 N -1.70 -0.69 -0.16 9.45 0.00 -1.10 -1.40 107.32 111.71 3iva s GLY 805 Ca 0.14 2.39 -0.15 0.00 0.00 0.00 0.00 44.72 47.10 3iva s GLY 805 CO 0.05 2.75 0.29 -2.00 0.00 0.00 0.00 173.10 174.20 3iva h LEU 806 N 7.52 0.21 -9.99 0.66 5.85 -1.91 -2.66 115.31 114.98 3iva h LEU 806 Ca -0.24 -0.72 -0.53 0.00 0.84 0.00 0.00 57.88 57.24 3iva h LEU 806 Cb 1.16 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 3iva h LEU 806 CO 0.13 1.67 -0.49 0.27 -0.34 0.00 0.00 178.44 179.68 3iva s ILE 807 N -2.46 4.99 0.26 4.05 -4.36 -1.26 -3.44 121.20 118.99 3iva s ILE 807 Ca -0.26 -0.94 -0.04 0.00 -0.26 0.00 0.00 60.65 59.15 3iva s ILE 807 Cb 0.06 -3.61 0.29 0.00 1.25 0.00 0.00 42.46 40.45 3iva s ILE 807 CO 0.68 -0.18 1.64 0.74 0.24 0.00 0.00 174.94 178.05 3iva h THR 808 N 1.61 0.32 0.00 8.37 2.02 -1.94 0.33 112.91 123.62 3iva h THR 808 Ca -0.49 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 66.64 3iva h THR 808 Cb 1.21 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 3iva h THR 808 CO 0.65 0.03 0.20 -0.65 0.37 0.00 0.00 175.52 176.11 3iva h PRO 809 N 0.14 0.00 -0.11 6.66 0.11 -1.92 -0.83 132.00 136.05 3iva h PRO 809 Ca 0.46 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.41 3iva h PRO 809 Cb 0.86 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 3iva h PRO 809 CO -0.67 0.00 -0.64 0.77 -0.21 0.00 0.00 178.00 177.25 3iva h SER 810 N 0.00 0.48 -0.39 -2.05 0.02 -1.27 -3.03 113.55 107.31 3iva h SER 810 Ca 0.00 -0.29 0.11 0.00 -0.84 0.00 0.00 61.79 60.77 3iva h SER 810 Cb 0.40 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 3iva h SER 810 CO 0.00 1.00 0.29 -0.07 -1.14 0.00 0.00 176.83 176.91 3iva h LEU 811 N 0.30 0.00 0.01 5.07 3.38 -1.27 0.04 115.31 122.84 3iva h LEU 811 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3iva h LEU 811 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3iva h LEU 811 CO 0.11 0.00 -0.00 -0.78 0.09 0.00 0.00 178.44 177.86 3iva h ASP 812 N 0.00 -0.01 0.41 -0.43 1.82 -1.66 -2.45 116.42 114.10 3iva h ASP 812 Ca 0.18 -0.51 -0.02 0.00 -0.39 0.00 0.00 57.03 56.29 3iva h ASP 812 Cb 0.76 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.77 3iva h ASP 812 CO -0.00 0.51 -0.08 -0.08 -1.61 0.00 0.00 179.24 177.98 3iva h GLU 813 N -0.53 0.00 0.35 0.28 4.57 -1.29 -1.93 114.58 116.04 3iva h GLU 813 Ca -0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3iva h GLU 813 Cb 0.52 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 3iva h GLU 813 CO 0.00 0.08 -0.17 0.52 -1.18 0.00 0.00 179.01 178.26 3iva h MET 814 N 0.00 -0.45 -1.03 1.92 2.86 -0.94 -2.22 114.93 115.07 3iva h MET 814 Ca -0.00 0.03 0.27 0.00 -2.06 0.00 0.00 59.70 57.94 3iva h MET 814 Cb 0.30 0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.99 3iva h MET 814 CO 0.01 -0.20 0.70 0.28 1.06 0.00 0.00 176.91 178.76 3iva h VAL 815 N -1.05 0.52 -0.00 -2.22 2.07 -1.24 0.33 116.25 114.66 3iva h VAL 815 Ca -0.05 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3iva h VAL 815 Cb 0.47 0.26 -0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3iva h VAL 815 CO 0.08 0.04 0.00 -1.13 0.02 0.00 0.00 177.57 176.58 3iva h ASN 816 N 0.24 0.00 -0.97 0.57 -0.73 -1.24 -1.39 115.58 112.07 3iva h ASN 816 Ca 0.54 -0.10 0.07 0.00 1.87 0.00 0.00 56.30 58.68 3iva h ASN 816 Cb 1.66 -0.00 -0.07 0.00 0.27 0.00 0.00 38.32 40.18 3iva h ASN 816 CO -0.17 0.10 0.62 0.58 -0.37 0.00 0.00 177.43 178.19 3iva h VAL 817 N -0.09 1.06 -0.54 2.57 2.07 0.27 -1.12 116.25 120.47 3iva h VAL 817 Ca 0.00 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 3iva h VAL 817 Cb 0.10 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.70 3iva h VAL 817 CO -0.00 0.20 -0.03 0.00 0.02 0.00 0.00 177.57 177.76 3iva h ALA 818 N 1.45 0.73 -0.06 1.67 0.00 -1.16 -0.23 119.26 121.66 3iva h ALA 818 Ca 0.42 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3iva h ALA 818 Cb 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3iva h ALA 818 CO -0.18 0.58 -0.34 0.87 0.00 0.00 0.00 179.25 180.19 3iva h LYS 819 N 0.85 0.12 0.03 0.00 1.57 -0.72 -2.52 116.57 115.90 3iva h LYS 819 Ca 0.15 -0.05 -0.21 0.00 -1.87 0.00 0.00 60.65 58.67 3iva h LYS 819 Cb 0.58 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 3iva h LYS 819 CO 0.03 0.45 -0.99 1.49 -0.57 0.00 0.00 179.45 179.86 3iva h GLU 820 N 0.11 0.13 0.00 3.15 4.57 -0.91 -2.04 114.58 119.58 3iva h GLU 820 Ca 0.01 -0.18 -0.05 0.00 -1.18 0.00 0.00 59.36 57.97 3iva h GLU 820 Cb 0.65 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 3iva h GLU 820 CO 0.05 1.01 -0.23 0.52 -1.18 0.00 0.00 179.01 179.18 3iva h MET 821 N 0.05 0.00 0.15 1.92 2.86 -0.77 -1.54 114.93 117.60 3iva h MET 821 Ca -0.05 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.38 3iva h MET 821 Cb 1.68 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.36 3iva h MET 821 CO 0.14 0.23 -0.98 1.49 1.06 0.00 0.00 176.91 178.85 3iva h GLU 822 N 0.00 0.32 0.00 1.72 4.57 -1.34 0.11 114.58 119.95 3iva h GLU 822 Ca -0.00 -0.54 -0.02 0.00 -1.18 0.00 0.00 59.36 57.62 3iva h GLU 822 Cb 0.59 0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.38 3iva h GLU 822 CO 0.03 1.26 -0.10 0.00 -1.18 0.00 0.00 179.01 179.02 3iva h ARG 823 N -0.31 0.00 -0.02 1.92 2.47 -1.13 -2.63 114.38 114.67 3iva h ARG 823 Ca -0.18 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 3iva h ARG 823 Cb 1.72 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.04 3iva h ARG 823 CO 0.15 0.10 -0.25 1.04 0.56 0.00 0.00 179.97 181.57 3iva n GLN 824 N -3.67 1.69 -0.80 0.04 6.02 -0.60 -5.00 117.38 115.06 3iva n GLN 824 Ca -0.02 -1.37 0.00 0.00 -0.01 0.00 0.00 57.00 55.60 3iva n GLN 824 Cb 0.21 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.03 3iva n GLN 824 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iva n GLY 825 N 1.33 0.59 3.55 1.08 0.00 -0.99 -5.03 105.19 105.72 3iva n GLY 825 Ca 0.11 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 3iva n GLY 825 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3iva n PHE 826 N -2.80 0.18 0.00 1.61 3.72 0.35 -4.93 117.46 115.59 3iva n PHE 826 Ca 0.00 0.43 0.00 0.00 -0.05 0.00 0.00 57.45 57.83 3iva n PHE 826 Cb 0.00 -2.06 0.00 0.00 -0.94 0.00 0.00 39.48 36.48 3iva n PHE 826 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 3iva n THR 827 N -1.81 0.00 -1.51 4.37 5.66 -1.26 -4.64 114.28 115.09 3iva n THR 827 Ca 0.13 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.77 3iva n THR 827 Cb 0.48 -0.91 0.08 0.00 -1.55 0.00 0.00 70.33 68.43 3iva n THR 827 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 3iva n ILE 828 N -1.87 3.63 -1.73 1.09 -5.35 -1.26 -4.43 119.36 109.44 3iva n ILE 828 Ca 0.00 -0.42 -0.36 0.00 -0.27 0.00 0.00 62.75 61.70 3iva n ILE 828 Cb 0.46 -1.24 0.07 0.00 -1.74 0.00 0.00 39.64 37.18 3iva n ILE 828 CO 0.00 0.00 0.00 -2.84 -1.76 0.00 0.00 176.55 171.95 3iva s PRO 829 N -3.30 2.55 -0.23 6.28 0.02 -1.25 -4.53 135.00 134.54 3iva s PRO 829 Ca 0.77 1.92 0.02 0.00 0.02 0.00 0.00 61.00 63.73 3iva s PRO 829 Cb -0.37 -1.86 0.05 0.00 0.02 0.00 0.00 34.50 32.34 3iva s PRO 829 CO 0.46 -1.56 -0.14 -1.17 -0.33 0.00 0.00 177.00 174.27 3iva s LEU 830 N -4.50 3.01 -0.26 -5.54 2.96 0.14 -2.98 118.68 111.52 3iva s LEU 830 Ca 0.79 -1.14 -0.09 0.00 -0.22 0.00 0.00 54.13 53.47 3iva s LEU 830 Cb -0.33 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 3iva s LEU 830 CO 0.39 -0.13 0.12 -0.76 -1.32 0.00 0.00 176.35 174.66 3iva s LEU 831 N 1.17 3.72 -0.15 -0.68 1.43 -0.63 -0.66 118.68 122.87 3iva s LEU 831 Ca -0.04 -0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 52.94 3iva s LEU 831 Cb -0.18 -2.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 3iva s LEU 831 CO -0.08 -0.03 -0.12 0.27 0.23 0.00 0.00 176.35 176.61 3iva s ILE 832 N 1.64 2.97 0.21 -0.59 -5.25 -1.04 -1.37 121.20 117.77 3iva s ILE 832 Ca 0.07 -0.67 -0.05 0.00 -0.99 0.00 0.00 60.65 59.01 3iva s ILE 832 Cb -0.15 -2.27 -0.03 0.00 2.95 0.00 0.00 42.46 42.96 3iva s ILE 832 CO 0.07 0.51 0.23 -0.83 -1.79 0.00 0.00 174.94 173.12 3iva s GLY 833 N 0.68 1.12 0.00 6.27 0.00 -0.52 -3.50 107.32 111.37 3iva s GLY 833 Ca -0.06 -1.43 0.00 0.00 0.00 0.00 0.00 44.72 43.23 3iva s GLY 833 CO 0.02 -1.16 0.00 0.61 0.00 0.00 0.00 173.10 172.57 3iva n GLY 834 N -0.29 1.52 0.17 0.20 0.00 -1.26 -2.72 105.19 102.81 3iva n GLY 834 Ca 0.00 -1.71 0.06 0.00 0.00 0.00 0.00 46.02 44.37 3iva n GLY 834 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iva h ALA 835 N 0.00 0.81 0.00 4.61 0.00 -1.73 -3.16 119.26 119.78 3iva h ALA 835 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3iva h ALA 835 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3iva h ALA 835 CO 0.00 0.45 -0.58 -2.37 0.00 0.00 0.00 179.25 176.75 3iva n THR 836 N -3.25 0.20 -3.34 0.00 5.66 -1.06 -4.89 114.28 107.60 3iva n THR 836 Ca 0.02 -0.16 -0.38 0.00 -3.05 0.00 0.00 64.05 60.48 3iva n THR 836 Cb 0.63 0.01 -0.06 0.00 -1.55 0.00 0.00 70.33 69.37 3iva n THR 836 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3iva s THR 837 N -3.10 5.04 0.37 1.09 -4.23 -1.20 -4.92 115.64 108.70 3iva s THR 837 Ca 0.08 1.00 0.04 0.00 -1.18 0.00 0.00 61.69 61.64 3iva s THR 837 Cb 0.15 -3.82 -0.06 0.00 1.34 0.00 0.00 72.50 70.11 3iva s THR 837 CO 0.71 0.44 0.05 -0.94 -0.54 0.00 0.00 174.62 174.33 3iva s SER 838 N -0.17 2.96 0.22 3.99 1.04 -1.26 -4.71 113.70 115.77 3iva s SER 838 Ca 0.27 -1.43 0.10 0.00 0.48 0.00 0.00 55.95 55.37 3iva s SER 838 Cb -0.17 -0.05 0.10 0.00 0.10 0.00 0.00 66.02 66.01 3iva s SER 838 CO 0.13 -0.62 1.46 0.50 0.98 0.00 0.00 173.24 175.69 3iva h LYS 839 N 1.92 0.00 -0.05 4.02 3.64 -1.98 -2.79 116.57 121.33 3iva h LYS 839 Ca -0.41 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 58.72 3iva h LYS 839 Cb 1.25 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.09 3iva h LYS 839 CO 0.72 0.75 -0.94 0.00 -2.27 0.00 0.00 179.45 177.70 3iva h ALA 840 N 1.25 0.23 -0.35 5.00 0.00 -1.98 -2.93 119.26 120.49 3iva h ALA 840 Ca -0.01 -0.66 -0.17 0.00 0.00 0.00 0.00 54.91 54.07 3iva h ALA 840 Cb 1.41 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 3iva h ALA 840 CO 0.10 0.70 -0.44 1.25 0.00 0.00 0.00 179.25 180.85 3iva h HIS 841 N 0.43 1.11 -0.37 0.00 -0.00 -1.97 0.16 115.15 114.50 3iva h HIS 841 Ca -0.10 -0.35 -0.03 0.00 -0.00 0.00 0.00 60.37 59.89 3iva h HIS 841 Cb 1.58 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 28.75 3iva h HIS 841 CO 0.09 1.18 0.09 1.15 -0.00 0.00 0.00 177.93 180.45 3iva h THR 842 N 0.73 1.17 0.08 6.26 2.02 -1.56 0.66 112.91 122.26 3iva h THR 842 Ca 0.04 -0.60 -0.27 0.00 0.77 0.00 0.00 66.41 66.35 3iva h THR 842 Cb 1.04 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 3iva h THR 842 CO 0.10 0.22 -1.35 0.00 0.37 0.00 0.00 175.52 174.87 3iva h ALA 843 N 1.57 0.31 0.00 6.16 0.00 -1.37 0.15 119.26 126.08 3iva h ALA 843 Ca 0.13 -1.05 -0.03 0.00 0.00 0.00 0.00 54.91 53.95 3iva h ALA 843 Cb 0.20 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3iva h ALA 843 CO -0.00 1.18 -1.53 0.28 0.00 0.00 0.00 179.25 179.18 3iva n VAL 844 N -3.40 0.45 0.00 0.00 0.31 0.03 -4.63 118.33 111.10 3iva n VAL 844 Ca -0.10 -0.56 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 3iva n VAL 844 Cb 1.01 -0.24 0.00 0.00 -0.91 0.00 0.00 33.84 33.70 3iva n VAL 844 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3iva n LYS 845 N -2.53 2.38 -0.11 5.55 4.76 0.23 -4.95 118.16 123.49 3iva n LYS 845 Ca -0.04 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.23 3iva n LYS 845 Cb 0.61 -0.81 -0.06 0.00 -1.84 0.00 0.00 35.03 32.94 3iva n LYS 845 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3iva n ILE 846 N -1.12 1.50 -0.02 -0.18 5.41 -1.03 -4.71 119.36 119.21 3iva n ILE 846 Ca 0.00 -0.05 -0.03 0.00 1.00 0.00 0.00 62.75 63.68 3iva n ILE 846 Cb 0.12 -2.16 -0.02 0.00 -0.71 0.00 0.00 39.64 36.87 3iva n ILE 846 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 3iva h GLU 847 N -1.00 -0.08 -0.28 0.38 4.81 -0.97 -2.70 114.58 114.73 3iva h GLU 847 Ca -0.28 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.04 3iva h GLU 847 Cb 1.17 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 3iva h GLU 847 CO -0.17 -0.05 0.97 1.96 -0.73 0.00 0.00 179.01 180.99 3iva h GLN 848 N -0.08 0.00 -0.13 1.92 4.20 -1.84 0.37 115.11 119.55 3iva h GLN 848 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 3iva h GLN 848 Cb 0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.89 3iva h GLN 848 CO -0.10 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.15 3iva n ASN 849 N -2.77 1.15 -3.72 1.46 5.03 -1.02 -4.80 115.26 110.58 3iva n ASN 849 Ca 0.06 -1.67 -0.15 0.00 0.87 0.00 0.00 54.58 53.70 3iva n ASN 849 Cb 1.06 -0.08 -0.15 0.00 -1.02 0.00 0.00 39.78 39.59 3iva n ASN 849 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 3iva s TYR 850 N -1.83 -0.15 0.42 3.10 5.04 0.13 -3.87 117.35 120.18 3iva s TYR 850 Ca 0.29 0.49 0.14 0.00 -2.44 0.00 0.00 57.07 55.54 3iva s TYR 850 Cb 0.15 -0.16 0.89 0.00 0.35 0.00 0.00 41.96 43.20 3iva s TYR 850 CO 0.23 -0.19 1.93 0.77 -1.34 0.00 0.00 175.55 176.95 3iva h SER 851 N 7.60 0.01 -4.08 4.32 0.02 -1.87 -3.44 113.55 116.10 3iva h SER 851 Ca -0.34 -0.00 -0.45 0.00 -0.84 0.00 0.00 61.79 60.16 3iva h SER 851 Cb 1.13 -0.00 0.15 0.00 0.14 0.00 0.00 62.40 63.82 3iva h SER 851 CO 0.34 0.26 0.37 -0.83 -1.14 0.00 0.00 176.83 175.83 3iva s GLY 852 N -4.23 1.70 0.33 -3.77 0.00 -1.26 -5.01 107.32 95.08 3iva s GLY 852 Ca -0.04 -1.01 -0.28 0.00 0.00 0.00 0.00 44.72 43.39 3iva s GLY 852 CO 0.71 -0.29 1.23 -4.14 0.00 0.00 0.00 173.10 170.61 3iva s PRO 853 N -5.72 4.40 -0.16 2.90 0.02 -1.26 -4.91 135.00 130.27 3iva s PRO 853 Ca 0.71 2.05 -0.02 0.00 0.02 0.00 0.00 61.00 63.76 3iva s PRO 853 Cb -0.07 -3.06 0.05 0.00 0.02 0.00 0.00 34.50 31.45 3iva s PRO 853 CO 0.53 -0.09 0.02 0.99 -0.33 0.00 0.00 177.00 178.12 3iva s THR 854 N -1.18 0.56 -0.11 0.99 2.01 -1.26 0.27 115.64 116.92 3iva s THR 854 Ca 0.49 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 62.08 3iva s THR 854 Cb -0.36 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.20 3iva s THR 854 CO 0.48 -0.07 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.49 3iva s VAL 855 N 1.86 1.55 0.09 3.82 1.01 0.17 -4.90 120.40 123.99 3iva s VAL 855 Ca 0.00 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.12 3iva s VAL 855 Cb -0.16 -1.41 -0.07 0.00 0.00 0.00 0.00 36.38 34.75 3iva s VAL 855 CO -0.07 0.45 0.58 -0.47 0.00 0.00 0.00 175.10 175.59 3iva s TYR 856 N 0.95 3.79 -0.04 5.22 5.04 -1.26 -2.50 117.35 128.55 3iva s TYR 856 Ca -0.07 1.27 -0.02 0.00 -2.44 0.00 0.00 57.07 55.81 3iva s TYR 856 Cb -0.15 -2.50 0.03 0.00 0.35 0.00 0.00 41.96 39.69 3iva s TYR 856 CO -0.01 0.57 0.06 0.54 -1.34 0.00 0.00 175.55 175.36 3iva s VAL 857 N -1.16 -0.11 0.02 3.14 0.11 -1.23 -4.99 120.40 116.19 3iva s VAL 857 Ca 0.30 0.42 -0.04 0.00 -2.93 0.00 0.00 61.98 59.74 3iva s VAL 857 Cb -0.19 -0.15 -0.01 0.00 -1.53 0.00 0.00 36.38 34.50 3iva s VAL 857 CO 0.19 0.18 1.06 1.56 -3.33 0.00 0.00 175.10 174.76 3iva h GLN 858 N 8.40 -0.02 0.00 1.54 7.50 -1.95 -3.44 115.11 127.13 3iva h GLN 858 Ca -0.13 0.00 -0.17 0.00 0.50 0.00 0.00 58.65 58.85 3iva h GLN 858 Cb 1.12 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.62 3iva h GLN 858 CO 0.16 -0.01 -0.12 0.27 -1.50 0.00 0.00 178.83 177.62 3iva n ASN 859 N -3.13 2.07 -0.07 1.46 0.23 -1.26 -4.77 115.26 109.79 3iva n ASN 859 Ca -0.00 -1.58 0.16 0.00 -0.53 0.00 0.00 54.58 52.62 3iva n ASN 859 Cb 0.03 0.13 0.86 0.00 -2.08 0.00 0.00 39.78 38.72 3iva n ASN 859 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3iva n ALA 860 N -2.56 2.66 -0.12 -2.53 0.00 -1.26 -3.38 120.51 113.33 3iva n ALA 860 Ca -0.05 -0.23 -0.25 0.00 0.00 0.00 0.00 53.44 52.90 3iva n ALA 860 Cb 0.17 -1.46 -0.11 0.00 0.00 0.00 0.00 19.45 18.05 3iva n ALA 860 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3iva n SER 861 N -0.86 1.92 0.00 0.00 3.41 -1.26 -4.15 113.62 112.68 3iva n SER 861 Ca 0.22 0.35 0.10 0.00 -0.26 0.00 0.00 58.87 59.28 3iva n SER 861 Cb 0.16 -0.87 0.53 0.00 -0.26 0.00 0.00 64.21 63.77 3iva n SER 861 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3iva n ARG 862 N -4.25 0.38 -0.04 4.33 1.85 -1.25 -3.00 116.66 114.68 3iva n ARG 862 Ca -0.43 0.07 -0.14 0.00 -1.00 0.00 0.00 57.85 56.35 3iva n ARG 862 Cb 0.81 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.60 3iva n ARG 862 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 3iva h THR 863 N 0.00 1.59 0.00 8.89 2.02 -1.71 -2.53 112.91 121.17 3iva h THR 863 Ca 0.00 -1.90 -0.00 0.00 0.77 0.00 0.00 66.41 65.28 3iva h THR 863 Cb 0.14 2.84 -0.00 0.00 -1.74 0.00 0.00 68.15 69.39 3iva h THR 863 CO 0.00 0.50 -0.00 1.62 0.37 0.00 0.00 175.52 178.01 3iva h VAL 864 N -0.67 0.57 0.00 3.16 3.04 -1.71 0.11 116.25 120.75 3iva h VAL 864 Ca -0.01 -0.01 -0.15 0.00 -1.01 0.00 0.00 66.70 65.52 3iva h VAL 864 Cb 0.88 1.01 -0.02 0.00 -2.01 0.00 0.00 31.29 31.15 3iva h VAL 864 CO 0.02 0.00 -0.70 1.23 -1.01 0.00 0.00 177.57 177.12 3iva h GLY 865 N 0.02 0.00 0.00 3.17 0.00 -1.61 -2.60 103.07 102.04 3iva h GLY 865 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3iva h GLY 865 CO 0.00 0.00 -0.07 -2.08 0.00 0.00 0.00 176.54 174.39 3iva h VAL 866 N 0.00 1.58 0.00 4.60 2.07 -0.45 -2.93 116.25 121.13 3iva h VAL 866 Ca -0.01 -2.21 0.00 0.00 0.82 0.00 0.00 66.70 65.30 3iva h VAL 866 Cb 1.39 3.02 0.00 0.00 -1.52 0.00 0.00 31.29 34.18 3iva h VAL 866 CO 0.09 0.54 0.05 0.58 0.02 0.00 0.00 177.57 178.84 3iva h VAL 867 N -1.00 0.00 0.00 2.57 2.07 -1.03 0.33 116.25 119.19 3iva h VAL 867 Ca -0.02 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 3iva h VAL 867 Cb 0.93 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 3iva h VAL 867 CO -0.01 0.00 -0.09 0.00 0.02 0.00 0.00 177.57 177.49 3iva h ALA 868 N 1.90 0.01 -0.06 1.67 0.00 -1.48 -2.96 119.26 118.34 3iva h ALA 868 Ca 0.00 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.37 3iva h ALA 868 Cb 0.09 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3iva h ALA 868 CO 0.00 0.06 -0.81 0.00 0.00 0.00 0.00 179.25 178.50 3iva h ALA 869 N -0.48 0.47 0.00 0.00 0.00 -1.26 -2.65 119.26 115.34 3iva h ALA 869 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3iva h ALA 869 Cb 0.58 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3iva h ALA 869 CO -0.01 0.76 0.00 1.25 0.00 0.00 0.00 179.25 181.25 3iva h LEU 870 N 0.31 0.00 -3.01 0.00 5.85 -0.53 -0.52 115.31 117.42 3iva h LEU 870 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3iva h LEU 870 Cb 1.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.44 3iva h LEU 870 CO 0.14 0.00 0.00 -0.11 -0.34 0.00 0.00 178.44 178.13 3iva n LEU 871 N -2.83 3.26 0.00 2.25 7.94 -1.12 -4.76 117.00 121.74 3iva n LEU 871 Ca 0.02 -2.32 0.00 0.00 -1.11 0.00 0.00 56.01 52.60 3iva n LEU 871 Cb 0.36 -0.33 0.00 0.00 0.53 0.00 0.00 43.42 43.98 3iva n LEU 871 CO 0.28 0.71 0.00 -1.54 -1.11 0.00 0.00 177.39 175.73 3iva n SER 872 N 0.20 0.06 -0.02 1.96 3.41 -1.01 -5.00 113.62 113.23 3iva n SER 872 Ca 0.15 -0.81 -0.03 0.00 -0.26 0.00 0.00 58.87 57.92 3iva n SER 872 Cb 0.58 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.51 3iva n SER 872 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3iva n ASP 873 N -2.38 3.79 -0.28 4.04 9.92 -1.26 -4.03 116.55 126.34 3iva n ASP 873 Ca 0.00 -0.02 0.10 0.00 -0.53 0.00 0.00 54.79 54.34 3iva n ASP 873 Cb 0.00 0.09 0.48 0.00 -0.64 0.00 0.00 41.12 41.04 3iva n ASP 873 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 3iva n THR 874 N -2.51 0.10 0.00 -3.53 5.66 -1.26 -4.19 114.28 108.55 3iva n THR 874 Ca -0.07 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 3iva n THR 874 Cb 0.59 0.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.41 3iva n THR 874 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 3iva n GLN 875 N -0.24 0.08 -0.36 1.09 -0.06 -1.26 -4.90 117.38 111.74 3iva n GLN 875 Ca 0.15 0.00 -0.07 0.00 -2.00 0.00 0.00 57.00 55.08 3iva n GLN 875 Cb 0.20 -0.51 -0.06 0.00 -4.06 0.00 0.00 30.24 25.81 3iva n GLN 875 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 3iva n ARG 876 N -0.68 -0.34 -0.26 3.69 0.63 -0.21 -1.10 116.66 118.39 3iva n ARG 876 Ca 0.00 1.33 -0.06 0.00 -0.92 0.00 0.00 57.85 58.20 3iva n ARG 876 Cb 0.01 -1.96 0.05 0.00 0.45 0.00 0.00 32.46 31.01 3iva n ARG 876 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3iva h ASP 877 N 0.00 0.93 -0.03 6.15 5.19 -1.85 -2.83 116.42 123.98 3iva h ASP 877 Ca 0.18 -0.14 -0.12 0.00 -0.62 0.00 0.00 57.03 56.33 3iva h ASP 877 Cb 0.40 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 3iva h ASP 877 CO -0.84 0.81 -0.37 -0.78 -3.12 0.00 0.00 179.24 174.94 3iva h ASP 878 N 0.99 0.56 -0.44 6.45 1.82 -1.58 -2.99 116.42 121.23 3iva h ASP 878 Ca 0.24 -0.24 -0.07 0.00 -0.39 0.00 0.00 57.03 56.58 3iva h ASP 878 Cb 0.14 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 39.98 3iva h ASP 878 CO -0.03 0.88 0.00 0.15 -1.61 0.00 0.00 179.24 178.64 3iva h PHE 879 N 0.45 0.84 -0.36 0.28 3.57 -1.00 -2.18 116.94 118.53 3iva h PHE 879 Ca 0.04 -0.14 -0.03 0.00 3.53 0.00 0.00 57.97 61.37 3iva h PHE 879 Cb 0.85 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 3iva h PHE 879 CO 0.03 0.82 0.09 -0.39 -2.23 0.00 0.00 178.31 176.64 3iva h VAL 880 N 0.61 1.22 -0.98 1.41 -1.51 -1.51 -0.47 116.25 115.02 3iva h VAL 880 Ca 0.12 -0.75 0.01 0.00 -1.23 0.00 0.00 66.70 64.85 3iva h VAL 880 Cb 0.49 1.02 -0.05 0.00 -2.13 0.00 0.00 31.29 30.62 3iva h VAL 880 CO 0.02 0.26 0.65 0.00 -1.23 0.00 0.00 177.57 177.27 3iva h ALA 881 N 0.94 1.29 -0.45 5.19 0.00 -1.49 0.17 119.26 124.90 3iva h ALA 881 Ca 0.12 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3iva h ALA 881 Cb 0.30 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3iva h ALA 881 CO 0.00 0.66 -0.23 0.00 0.00 0.00 0.00 179.25 179.68 3iva h ARG 882 N 1.34 0.94 -0.63 0.00 2.47 -1.17 -1.66 114.38 115.67 3iva h ARG 882 Ca 0.36 -0.42 -0.08 0.00 -1.26 0.00 0.00 59.98 58.58 3iva h ARG 882 Cb -0.15 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.13 3iva h ARG 882 CO -0.08 1.08 0.06 1.15 0.56 0.00 0.00 179.97 182.75 3iva h THR 883 N 0.78 1.26 0.87 2.04 2.02 -0.43 -2.01 112.91 117.44 3iva h THR 883 Ca 0.10 -1.07 -0.04 0.00 0.77 0.00 0.00 66.41 66.16 3iva h THR 883 Cb 0.80 0.70 0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3iva h THR 883 CO 0.07 0.40 -0.42 0.03 0.37 0.00 0.00 175.52 175.97 3iva h ARG 884 N 0.99 -1.12 -0.41 6.66 3.08 -0.52 0.47 114.38 123.53 3iva h ARG 884 Ca 0.19 0.08 0.08 0.00 0.07 0.00 0.00 59.98 60.39 3iva h ARG 884 Cb 0.48 0.25 -0.09 0.00 0.08 0.00 0.00 29.97 30.69 3iva h ARG 884 CO 0.02 -0.75 -0.34 0.87 -1.07 0.00 0.00 179.97 178.70 3iva h LYS 885 N -1.26 -0.25 -0.17 0.04 1.79 -1.30 -0.99 116.57 114.44 3iva h LYS 885 Ca -0.12 0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.40 3iva h LYS 885 Cb 0.89 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.57 3iva h LYS 885 CO 0.20 -0.17 -0.02 1.49 -1.08 0.00 0.00 179.45 179.86 3iva h GLU 886 N -0.26 0.02 0.00 3.15 4.81 -1.38 0.11 114.58 121.04 3iva h GLU 886 Ca 0.17 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3iva h GLU 886 Cb 0.55 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3iva h GLU 886 CO -0.55 0.01 0.05 0.66 -0.73 0.00 0.00 179.01 178.45 3iva n TYR 887 N -5.16 0.04 -0.12 0.92 0.53 0.15 -1.69 117.16 111.84 3iva n TYR 887 Ca -0.03 0.02 -0.25 0.00 -1.02 0.00 0.00 57.90 56.62 3iva n TYR 887 Cb 0.10 -0.49 -0.11 0.00 -1.03 0.00 0.00 39.34 37.81 3iva n TYR 887 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 3iva n GLU 888 N -1.50 0.61 0.00 -0.72 1.02 0.24 -1.93 120.64 118.36 3iva n GLU 888 Ca -0.00 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 3iva n GLU 888 Cb 0.05 -1.58 0.02 0.00 -0.02 0.00 0.00 31.44 29.91 3iva n GLU 888 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3iva n THR 889 N -4.06 1.06 -0.03 2.62 -2.24 -0.34 0.74 114.28 112.03 3iva n THR 889 Ca -0.46 0.26 -0.03 0.00 -2.27 0.00 0.00 64.05 61.56 3iva n THR 889 Cb 0.87 -1.25 -0.04 0.00 -2.10 0.00 0.00 70.33 67.81 3iva n THR 889 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3iva n VAL 890 N -1.27 0.36 0.05 2.28 3.14 -0.96 -3.59 118.33 118.33 3iva n VAL 890 Ca 0.00 -0.21 -0.06 0.00 -2.96 0.00 0.00 64.34 61.11 3iva n VAL 890 Cb 0.01 -0.85 0.12 0.00 -1.06 0.00 0.00 33.84 32.06 3iva n VAL 890 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 3iva h ARG 891 N 0.00 0.37 0.00 1.45 2.43 -0.01 -1.08 114.38 117.53 3iva h ARG 891 Ca -0.14 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 3iva h ARG 891 Cb 1.31 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 3iva h ARG 891 CO 0.00 0.81 -0.76 0.44 -1.51 0.00 0.00 179.97 178.95 3iva n ILE 892 N -3.94 0.04 -0.01 1.20 -5.35 0.23 -0.62 119.36 110.90 3iva n ILE 892 Ca -0.02 -0.05 -0.11 0.00 -0.27 0.00 0.00 62.75 62.30 3iva n ILE 892 Cb 0.58 0.47 -0.09 0.00 -1.74 0.00 0.00 39.64 38.86 3iva n ILE 892 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3iva h GLN 893 N 0.00 -0.08 0.15 6.28 4.15 -1.53 -3.17 115.11 120.91 3iva h GLN 893 Ca 0.00 0.01 -0.30 0.00 0.77 0.00 0.00 58.65 59.12 3iva h GLN 893 Cb 0.55 0.02 0.03 0.00 0.21 0.00 0.00 27.48 28.29 3iva h GLN 893 CO 0.00 0.51 -1.29 0.45 -1.93 0.00 0.00 178.83 176.57 3iva h HIS 894 N -0.88 0.95 -0.90 3.99 3.86 -1.35 -3.35 115.15 117.48 3iva h HIS 894 Ca -0.01 -0.62 0.09 0.00 -1.16 0.00 0.00 60.37 58.66 3iva h HIS 894 Cb 0.63 -0.07 -0.11 0.00 1.06 0.00 0.00 27.41 28.92 3iva h HIS 894 CO 0.15 1.47 -0.52 0.41 0.86 0.00 0.00 177.93 180.30 3iva n GLY 895 N 1.45 -2.30 0.00 2.45 0.00 0.21 -4.71 105.19 102.29 3iva n GLY 895 Ca -0.14 1.07 0.00 0.00 0.00 0.00 0.00 46.02 46.95 3iva n GLY 895 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3iva n ARG 896 N -5.15 3.92 -2.67 1.61 1.85 -1.20 -4.79 116.66 110.23 3iva n ARG 896 Ca 0.02 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.66 3iva n ARG 896 Cb 0.25 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.66 3iva n ARG 896 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3iva n LYS 897 N 0.00 -3.03 0.00 2.89 5.02 -1.26 -4.68 118.16 117.10 3iva n LYS 897 Ca 0.00 0.94 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 3iva n LYS 897 Cb 0.00 -5.68 0.00 0.00 -0.02 0.00 0.00 35.03 29.33 3iva n LYS 897 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3iva n LYS 898 N -3.43 0.00 -1.47 1.97 2.85 -1.26 -4.47 118.16 112.36 3iva n LYS 898 Ca -0.18 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 56.93 3iva n LYS 898 Cb 0.65 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.92 3iva n LYS 898 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3iva n PRO 899 N 0.00 0.23 -1.57 -1.58 -0.02 -1.26 -4.81 135.00 125.99 3iva n PRO 899 Ca 0.00 -0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 60.44 3iva n PRO 899 Cb 0.00 -2.53 -0.04 0.00 -0.02 0.00 0.00 33.50 30.91 3iva n PRO 899 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3iva n ARG 900 N 7.06 1.59 0.00 -0.52 3.00 -1.26 -4.49 116.66 122.04 3iva n ARG 900 Ca 0.46 0.35 0.00 0.00 -0.00 0.00 0.00 57.85 58.66 3iva n ARG 900 Cb 0.36 -3.19 0.00 0.00 0.00 0.00 0.00 32.46 29.63 3iva n ARG 900 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 3iva n THR 901 N 7.77 0.00 -1.69 5.15 5.66 -1.26 -5.14 114.28 124.77 3iva n THR 901 Ca 0.34 0.00 -0.66 0.00 -3.05 0.00 0.00 64.05 60.68 3iva n THR 901 Cb 0.44 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.13 3iva n THR 901 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 3iva n PRO 902 N 0.00 0.00 -0.49 1.09 -0.04 -1.26 -4.70 135.00 129.60 3iva n PRO 902 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 3iva n PRO 902 Cb 0.00 -1.46 0.27 0.00 -0.04 0.00 0.00 33.50 32.27 3iva n PRO 902 CO 0.00 0.00 0.00 -2.14 -0.04 0.00 0.00 175.50 173.32 3iva s PRO 903 N 2.71 -2.07 0.03 0.54 0.02 -1.26 -2.13 135.00 132.84 3iva s PRO 903 Ca 1.01 0.38 -0.04 0.00 0.02 0.00 0.00 61.00 62.38 3iva s PRO 903 Cb -1.45 -1.46 -0.02 0.00 0.02 0.00 0.00 34.50 31.60 3iva s PRO 903 CO 0.78 -4.37 0.05 0.08 -0.33 0.00 0.00 177.00 173.21 3iva s VAL 904 N -2.40 0.13 0.20 3.83 1.01 -1.23 -4.48 120.40 117.46 3iva s VAL 904 Ca 0.69 -1.07 -0.33 0.00 0.00 0.00 0.00 61.98 61.27 3iva s VAL 904 Cb -0.18 -0.74 -0.14 0.00 0.00 0.00 0.00 36.38 35.33 3iva s VAL 904 CO 0.60 -0.59 1.51 0.41 0.00 0.00 0.00 175.10 177.03 3iva n THR 905 N 1.00 0.43 0.05 3.92 -1.04 -1.26 -4.78 114.28 112.61 3iva n THR 905 Ca -0.20 -0.11 0.21 0.00 -2.04 0.00 0.00 64.05 61.91 3iva n THR 905 Cb 0.57 -1.53 0.74 0.00 -1.82 0.00 0.00 70.33 68.29 3iva n THR 905 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3iva h LEU 906 N 5.17 0.00 -0.19 -4.42 5.85 -1.97 0.19 115.31 119.94 3iva h LEU 906 Ca -0.45 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.17 3iva h LEU 906 Cb 1.26 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 3iva h LEU 906 CO 0.83 0.00 -0.28 -0.08 -0.34 0.00 0.00 178.44 178.57 3iva h GLU 907 N 0.00 0.53 -0.43 1.25 4.57 -1.99 -1.77 114.58 116.74 3iva h GLU 907 Ca 0.22 -0.31 -0.08 0.00 -1.18 0.00 0.00 59.36 58.01 3iva h GLU 907 Cb 1.06 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 3iva h GLU 907 CO -0.00 0.91 -0.05 0.00 -1.18 0.00 0.00 179.01 178.69 3iva h ALA 908 N 0.61 0.59 -0.19 2.92 0.00 -1.06 -2.30 119.26 119.83 3iva h ALA 908 Ca 0.02 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.67 3iva h ALA 908 Cb 0.86 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3iva h ALA 908 CO 0.06 0.42 -0.05 0.00 0.00 0.00 0.00 179.25 179.68 3iva h ALA 909 N 0.88 0.11 0.00 0.00 0.00 -1.03 -1.38 119.26 117.85 3iva h ALA 909 Ca 0.12 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3iva h ALA 909 Cb 0.56 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3iva h ALA 909 CO 0.03 -0.48 -0.00 0.00 0.00 0.00 0.00 179.25 178.79 3iva h ARG 910 N -0.01 0.00 0.00 0.00 3.08 -1.16 0.13 114.38 116.42 3iva h ARG 910 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3iva h ARG 910 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3iva h ARG 910 CO -0.20 0.00 -0.11 -3.47 -1.07 0.00 0.00 179.97 175.12 3iva n ASP 911 N -4.16 0.16 -1.06 7.04 2.03 -0.57 -2.85 116.55 117.14 3iva n ASP 911 Ca -0.03 0.35 0.08 0.00 0.52 0.00 0.00 54.79 55.71 3iva n ASP 911 Cb 0.09 -0.36 0.26 0.00 -0.72 0.00 0.00 41.12 40.39 3iva n ASP 911 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3iva n ASN 912 N -1.56 3.87 -4.46 1.67 4.05 0.41 -5.02 115.26 114.22 3iva n ASN 912 Ca 0.07 -2.45 -0.33 0.00 0.45 0.00 0.00 54.58 52.32 3iva n ASN 912 Cb 0.35 -0.45 0.13 0.00 1.23 0.00 0.00 39.78 41.04 3iva n ASN 912 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 177.26 173.31 3iva n ASP 913 N 0.46 -1.65 -4.66 1.20 5.75 -0.99 -2.74 116.55 113.92 3iva n ASP 913 Ca 0.20 0.35 -0.63 0.00 -0.01 0.00 0.00 54.79 54.69 3iva n ASP 913 Cb 0.73 -1.26 -0.09 0.00 -1.03 0.00 0.00 41.12 39.47 3iva n ASP 913 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 3iva n PHE 914 N -3.71 1.46 -2.97 2.11 7.35 -1.26 -4.83 117.46 115.62 3iva n PHE 914 Ca 0.08 1.01 -0.41 0.00 -0.76 0.00 0.00 57.45 57.37 3iva n PHE 914 Cb 0.53 -2.23 -0.05 0.00 0.35 0.00 0.00 39.48 38.09 3iva n PHE 914 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3iva s ALA 915 N 2.05 3.56 -0.23 3.13 0.00 -1.26 -5.03 121.76 123.98 3iva s ALA 915 Ca 0.99 -0.12 -0.20 0.00 0.00 0.00 0.00 51.96 52.63 3iva s ALA 915 Cb -1.34 -3.16 0.06 0.00 0.00 0.00 0.00 23.12 18.68 3iva s ALA 915 CO 0.70 -0.69 0.60 0.12 0.00 0.00 0.00 175.76 176.49 3iva s PHE 916 N 2.26 -0.67 -0.98 0.00 5.36 -1.26 -5.09 117.98 117.60 3iva s PHE 916 Ca 0.34 1.62 -0.17 0.00 -0.96 0.00 0.00 56.93 57.76 3iva s PHE 916 Cb -0.16 0.24 0.16 0.00 -0.34 0.00 0.00 43.02 42.91 3iva s PHE 916 CO 0.10 -0.32 1.14 0.34 -1.46 0.00 0.00 175.22 175.02 3iva s ASP 917 N 0.38 6.76 0.45 6.13 2.15 -1.26 -4.88 116.67 126.40 3iva s ASP 917 Ca -0.00 -2.37 0.19 0.00 0.43 0.00 0.00 52.55 50.80 3iva s ASP 917 Cb -0.04 -2.37 1.09 0.00 -0.30 0.00 0.00 42.92 41.29 3iva s ASP 917 CO -0.00 -0.91 1.97 -0.50 -0.17 0.00 0.00 175.17 175.56 3iva h TRP 918 N 8.30 0.00 0.00 -5.34 4.06 -1.99 -2.73 115.95 118.26 3iva h TRP 918 Ca 0.18 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.11 3iva h TRP 918 Cb 0.99 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.15 3iva h TRP 918 CO 1.12 0.21 -0.09 1.96 -3.56 0.00 0.00 178.44 178.09 3iva h GLN 919 N 0.00 0.00 0.00 0.49 1.08 -1.92 -2.20 115.11 112.57 3iva h GLN 919 Ca -0.00 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 3iva h GLN 919 Cb 0.43 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 3iva h GLN 919 CO 0.03 0.09 -0.99 0.00 -0.95 0.00 0.00 178.83 177.01 3iva h ALA 920 N 1.91 0.63 -2.82 3.87 0.00 -1.91 -3.46 119.26 117.48 3iva h ALA 920 Ca -0.00 -0.37 -0.64 0.00 0.00 0.00 0.00 54.91 53.90 3iva h ALA 920 Cb 0.22 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 3iva h ALA 920 CO 0.01 0.42 -0.50 -0.47 0.00 0.00 0.00 179.25 178.71 3iva s TYR 921 N -3.14 3.53 -0.25 0.00 5.04 -0.83 -5.09 117.35 116.62 3iva s TYR 921 Ca -0.00 0.36 -0.00 0.00 -2.44 0.00 0.00 57.07 54.98 3iva s TYR 921 Cb 0.08 -1.83 0.07 0.00 0.35 0.00 0.00 41.96 40.64 3iva s TYR 921 CO 0.78 0.65 0.02 0.95 -1.34 0.00 0.00 175.55 176.60 3iva s THR 922 N -1.29 1.18 0.25 4.34 -4.23 -1.26 -4.89 115.64 109.74 3iva s THR 922 Ca 0.26 -1.21 -0.31 0.00 -1.18 0.00 0.00 61.69 59.25 3iva s THR 922 Cb -0.13 -1.66 -0.13 0.00 1.34 0.00 0.00 72.50 71.93 3iva s THR 922 CO 0.17 -0.33 1.48 -2.65 -0.54 0.00 0.00 174.62 172.75 3iva n PRO 923 N 4.77 2.26 -1.63 3.99 -0.02 -1.26 -4.89 135.00 138.22 3iva n PRO 923 Ca -0.07 0.80 -0.40 0.00 -2.02 0.00 0.00 63.50 61.81 3iva n PRO 923 Cb 0.44 -2.51 0.02 0.00 -0.02 0.00 0.00 33.50 31.44 3iva n PRO 923 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3iva n PRO 924 N 2.14 1.33 -3.31 0.52 -0.04 -1.26 -4.90 135.00 129.47 3iva n PRO 924 Ca 0.11 0.48 -0.38 0.00 -0.04 0.00 0.00 63.50 63.67 3iva n PRO 924 Cb 0.33 -2.13 -0.06 0.00 -0.04 0.00 0.00 33.50 31.60 3iva n PRO 924 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3iva s VAL 925 N -1.33 5.18 0.26 0.52 1.01 -1.26 -4.80 120.40 119.98 3iva s VAL 925 Ca 0.66 0.92 -0.31 0.00 0.00 0.00 0.00 61.98 63.26 3iva s VAL 925 Cb -0.51 -3.81 -0.11 0.00 0.00 0.00 0.00 36.38 31.95 3iva s VAL 925 CO 0.55 0.29 1.61 0.00 0.00 0.00 0.00 175.10 177.55 3iva s ALA 926 N 0.86 3.79 0.38 5.51 0.00 -1.26 -4.84 121.76 126.20 3iva s ALA 926 Ca 0.25 1.54 0.21 0.00 0.00 0.00 0.00 51.96 53.96 3iva s ALA 926 Cb -0.15 -3.65 1.12 0.00 0.00 0.00 0.00 23.12 20.44 3iva s ALA 926 CO 0.10 -0.94 1.96 1.25 0.00 0.00 0.00 175.76 178.14 3iva h HIS 927 N 5.47 0.00 -3.96 0.00 2.76 -0.86 -3.44 115.15 115.12 3iva h HIS 927 Ca -0.46 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 57.45 3iva h HIS 927 Cb 1.21 0.00 -0.21 0.00 1.55 0.00 0.00 27.41 29.96 3iva h HIS 927 CO 0.60 0.21 -0.73 1.03 -1.30 0.00 0.00 177.93 177.75 3iva s ARG 928 N -4.22 0.52 0.08 5.26 0.52 0.22 -5.02 118.95 116.31 3iva s ARG 928 Ca -0.03 -0.76 0.05 0.00 -0.52 0.00 0.00 55.73 54.47 3iva s ARG 928 Cb 0.14 -0.26 -0.03 0.00 0.52 0.00 0.00 34.95 35.32 3iva s ARG 928 CO 0.65 0.04 -0.13 -0.51 0.02 0.00 0.00 175.30 175.37 3iva s LEU 929 N -1.61 2.31 0.00 2.53 1.43 -1.26 -4.69 118.68 117.38 3iva s LEU 929 Ca -0.10 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 3iva s LEU 929 Cb -0.10 -0.46 0.00 0.00 0.03 0.00 0.00 46.19 45.66 3iva s LEU 929 CO 0.00 -0.12 0.00 0.61 0.23 0.00 0.00 176.35 177.07 3iva n GLY 930 N 1.12 0.35 3.35 -3.19 0.00 -0.54 -4.89 105.19 101.38 3iva n GLY 930 Ca -0.20 -2.31 -0.32 0.00 0.00 0.00 0.00 46.02 43.19 3iva n GLY 930 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iva s VAL 931 N -0.21 2.71 -0.05 1.61 1.01 -1.26 -1.78 120.40 122.42 3iva s VAL 931 Ca 0.00 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.19 3iva s VAL 931 Cb 0.00 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.31 3iva s VAL 931 CO 0.00 0.55 -0.11 -1.58 0.00 0.00 0.00 175.10 173.97 3iva s GLN 932 N 0.03 1.40 -0.12 2.72 2.00 0.51 -4.99 119.66 121.21 3iva s GLN 932 Ca -0.06 -0.36 -0.29 0.00 -2.00 0.00 0.00 55.36 52.65 3iva s GLN 932 Cb -0.15 -1.21 -0.01 0.00 0.80 0.00 0.00 33.01 32.44 3iva s GLN 932 CO 0.05 0.05 0.98 -2.00 -0.50 0.00 0.00 175.29 173.87 3iva s GLU 933 N 0.54 4.40 0.28 1.67 2.12 -1.26 -1.15 118.70 125.30 3iva s GLU 933 Ca -0.11 1.34 0.12 0.00 0.36 0.00 0.00 54.97 56.68 3iva s GLU 933 Cb -0.14 -3.55 -0.05 0.00 0.26 0.00 0.00 34.13 30.66 3iva s GLU 933 CO 0.02 -0.32 -0.19 0.14 -0.54 0.00 0.00 175.26 174.37 3iva s VAL 934 N 2.05 2.52 -0.28 3.70 -7.23 -0.26 -4.96 120.40 115.94 3iva s VAL 934 Ca 0.47 -2.38 -0.24 0.00 -1.81 0.00 0.00 61.98 58.02 3iva s VAL 934 Cb -0.18 -2.33 0.09 0.00 0.56 0.00 0.00 36.38 34.52 3iva s VAL 934 CO 0.17 -0.39 0.84 -1.83 -0.31 0.00 0.00 175.10 173.58 3iva s GLU 935 N -3.52 0.69 0.04 4.82 -1.05 -1.26 -0.97 118.70 117.45 3iva s GLU 935 Ca 0.30 0.85 0.03 0.00 -0.15 0.00 0.00 54.97 56.01 3iva s GLU 935 Cb -0.05 0.32 -0.02 0.00 -0.44 0.00 0.00 34.13 33.94 3iva s GLU 935 CO 0.15 -0.09 -0.10 0.00 0.95 0.00 0.00 175.26 176.18 3iva s ALA 936 N 0.42 0.76 0.88 -0.84 0.00 -1.25 -5.05 121.76 116.69 3iva s ALA 936 Ca 0.00 -0.74 -0.12 0.00 0.00 0.00 0.00 51.96 51.10 3iva s ALA 936 Cb -0.05 -0.04 0.12 0.00 0.00 0.00 0.00 23.12 23.15 3iva s ALA 936 CO -0.03 0.07 1.15 -1.54 0.00 0.00 0.00 175.76 175.41 3iva s SER 937 N -1.32 3.81 0.22 0.00 1.04 -1.26 -4.29 113.70 111.90 3iva s SER 937 Ca -0.05 0.92 0.03 0.00 0.48 0.00 0.00 55.95 57.33 3iva s SER 937 Cb -0.08 -1.47 0.20 0.00 0.10 0.00 0.00 66.02 64.77 3iva s SER 937 CO 0.01 -2.36 1.54 0.40 0.98 0.00 0.00 173.24 173.81 3iva h ILE 938 N -1.36 1.38 -0.75 -1.02 2.04 -1.94 -2.51 117.51 113.35 3iva h ILE 938 Ca -0.49 -1.97 -0.00 0.00 1.00 0.00 0.00 64.86 63.39 3iva h ILE 938 Cb 1.33 1.98 -0.04 0.00 -0.74 0.00 0.00 36.82 39.36 3iva h ILE 938 CO 0.63 0.59 0.45 -0.33 0.00 0.00 0.00 178.15 179.49 3iva h GLU 939 N 0.23 1.01 0.02 2.37 4.39 -1.95 -0.60 114.58 120.05 3iva h GLU 939 Ca -0.01 -0.08 -0.22 0.00 0.34 0.00 0.00 59.36 59.39 3iva h GLU 939 Cb 1.13 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.56 3iva h GLU 939 CO 0.10 0.70 -0.97 1.15 -1.16 0.00 0.00 179.01 178.83 3iva h THR 940 N 1.03 1.47 0.00 1.13 2.02 -1.91 -3.33 112.91 113.31 3iva h THR 940 Ca 0.27 -2.66 -0.04 0.00 0.77 0.00 0.00 66.41 64.75 3iva h THR 940 Cb -0.05 2.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 3iva h THR 940 CO -0.05 0.78 -0.27 -0.07 0.37 0.00 0.00 175.52 176.28 3iva h LEU 941 N 0.14 0.00 -1.10 2.58 3.38 -1.00 -3.32 115.31 115.99 3iva h LEU 941 Ca -0.07 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.02 3iva h LEU 941 Cb 1.62 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 42.29 3iva h LEU 941 CO 0.16 0.21 0.61 0.03 0.09 0.00 0.00 178.44 179.53 3iva h ARG 942 N 0.00 0.90 0.00 1.13 3.08 -1.23 -0.22 114.38 118.04 3iva h ARG 942 Ca -0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3iva h ARG 942 Cb 1.16 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.01 3iva h ARG 942 CO 0.03 0.59 0.00 0.09 -1.07 0.00 0.00 179.97 179.61 3iva n ASN 943 N -4.59 0.34 -0.60 7.04 3.02 -1.25 -2.16 115.26 117.07 3iva n ASN 943 Ca 0.18 0.59 0.07 0.00 -0.03 0.00 0.00 54.58 55.39 3iva n ASN 943 Cb 0.36 -0.66 0.08 0.00 -0.61 0.00 0.00 39.78 38.95 3iva n ASN 943 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3iva n TYR 944 N -1.88 0.09 -2.39 3.10 4.01 -0.12 -4.79 117.16 115.19 3iva n TYR 944 Ca 0.02 -0.08 -0.41 0.00 -0.16 0.00 0.00 57.90 57.27 3iva n TYR 944 Cb 0.19 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.18 3iva n TYR 944 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3iva s ILE 945 N -1.13 3.72 -0.49 -0.72 1.01 -0.92 -4.56 121.20 118.11 3iva s ILE 945 Ca 0.18 1.36 -0.12 0.00 0.00 0.00 0.00 60.65 62.08 3iva s ILE 945 Cb 0.12 -3.87 0.12 0.00 0.01 0.00 0.00 42.46 38.84 3iva s ILE 945 CO 0.18 0.17 0.40 -0.62 0.00 0.00 0.00 174.94 175.07 3iva s ASP 946 N 0.48 5.87 0.39 3.58 2.15 -1.26 -4.96 116.67 122.92 3iva s ASP 946 Ca 0.55 -1.87 0.28 0.00 0.43 0.00 0.00 52.55 51.95 3iva s ASP 946 Cb -0.32 -2.08 1.19 0.00 -0.30 0.00 0.00 42.92 41.42 3iva s ASP 946 CO 0.34 -0.75 1.84 -0.50 -0.17 0.00 0.00 175.17 175.93 3iva h TRP 947 N 8.60 0.00 -0.02 -5.34 4.06 -1.96 -3.34 115.95 117.95 3iva h TRP 947 Ca -0.24 0.00 0.03 0.00 2.06 0.00 0.00 58.89 60.74 3iva h TRP 947 Cb 1.08 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.19 3iva h TRP 947 CO 0.67 0.00 -0.27 1.15 -3.56 0.00 0.00 178.44 176.43 3iva h THR 948 N 0.00 0.40 -0.04 1.49 2.02 -1.91 -1.55 112.91 113.32 3iva h THR 948 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 3iva h THR 948 Cb 0.39 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.20 3iva h THR 948 CO 0.00 0.00 0.04 -0.65 0.37 0.00 0.00 175.52 175.28 3iva h PRO 949 N -0.40 0.00 -0.47 6.66 0.11 -1.94 -0.78 132.00 135.18 3iva h PRO 949 Ca 0.07 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.06 3iva h PRO 949 Cb 0.49 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 3iva h PRO 949 CO -0.24 0.00 -0.18 0.35 -0.21 0.00 0.00 178.00 177.72 3iva h PHE 950 N 0.00 1.05 -0.32 0.65 3.57 -1.51 -1.64 116.94 118.74 3iva h PHE 950 Ca 0.02 -0.23 -0.17 0.00 3.53 0.00 0.00 57.97 61.11 3iva h PHE 950 Cb 0.09 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 3iva h PHE 950 CO 0.00 1.02 -0.49 0.74 -2.23 0.00 0.00 178.31 177.36 3iva h PHE 951 N 0.81 1.08 -0.21 0.41 0.04 -0.44 -3.07 116.94 115.56 3iva h PHE 951 Ca 0.12 -0.36 0.04 0.00 2.80 0.00 0.00 57.97 60.57 3iva h PHE 951 Cb 0.73 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.62 3iva h PHE 951 CO 0.04 1.18 -0.05 0.52 -0.60 0.00 0.00 178.31 179.40 3iva h MET 952 N 0.69 -0.00 -0.47 1.51 2.86 -1.21 -0.92 114.93 117.40 3iva h MET 952 Ca 0.03 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.81 3iva h MET 952 Cb 1.08 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.72 3iva h MET 952 CO 0.11 -0.00 0.48 1.15 1.06 0.00 0.00 176.91 179.71 3iva h THR 953 N -0.00 0.38 -0.47 2.22 2.02 -1.21 0.18 112.91 116.04 3iva h THR 953 Ca 0.10 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.15 3iva h THR 953 Cb 0.16 0.62 -0.08 0.00 -1.74 0.00 0.00 68.15 67.11 3iva h THR 953 CO -0.22 0.00 0.09 0.79 0.37 0.00 0.00 175.52 176.55 3iva n TRP 954 N -3.75 1.56 -3.85 3.16 7.02 -0.50 -4.96 117.44 116.11 3iva n TRP 954 Ca 0.09 -1.21 -0.29 0.00 -1.02 0.00 0.00 57.50 55.07 3iva n TRP 954 Cb 0.67 -0.51 0.04 0.00 -2.42 0.00 0.00 31.31 29.09 3iva n TRP 954 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 3iva n SER 955 N -0.58 -4.87 -4.08 -0.99 7.64 0.63 -4.24 113.62 107.13 3iva n SER 955 Ca 0.32 -0.74 -0.33 0.00 1.01 0.00 0.00 58.87 59.13 3iva n SER 955 Cb 1.12 -4.09 -0.14 0.00 -1.01 0.00 0.00 64.21 60.09 3iva n SER 955 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3iva s LEU 956 N -7.26 4.21 0.43 -3.43 1.02 -0.47 -4.75 118.68 108.44 3iva s LEU 956 Ca 0.62 -1.71 -0.24 0.00 0.02 0.00 0.00 54.13 52.81 3iva s LEU 956 Cb -0.30 -1.64 -0.08 0.00 0.02 0.00 0.00 46.19 44.19 3iva s LEU 956 CO 0.81 -0.31 1.14 0.00 0.02 0.00 0.00 176.35 178.01 3iva s ALA 957 N 1.07 3.04 0.00 4.21 0.00 -1.26 -3.85 121.76 124.97 3iva s ALA 957 Ca 0.01 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.86 3iva s ALA 957 Cb -0.20 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3iva s ALA 957 CO -0.05 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.59 3iva n GLY 958 N 0.46 3.83 3.85 0.00 0.00 -1.26 -4.93 105.19 107.13 3iva n GLY 958 Ca 0.06 -1.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.15 3iva n GLY 958 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iva s LYS 959 N -4.08 3.90 0.27 1.61 2.20 -1.26 -4.82 119.74 117.55 3iva s LYS 959 Ca 0.00 0.37 -0.25 0.00 -0.36 0.00 0.00 55.97 55.74 3iva s LYS 959 Cb 0.00 -3.10 -0.09 0.00 -1.51 0.00 0.00 37.83 33.13 3iva s LYS 959 CO 0.00 0.61 0.86 -0.47 -0.36 0.00 0.00 175.35 175.99 3iva s TYR 960 N -1.25 3.74 -2.07 4.03 5.04 -1.26 -1.05 117.35 124.53 3iva s TYR 960 Ca 0.29 1.67 0.26 0.00 -2.44 0.00 0.00 57.07 56.85 3iva s TYR 960 Cb -0.16 -2.82 0.67 0.00 0.35 0.00 0.00 41.96 40.00 3iva s TYR 960 CO 0.16 0.31 1.51 -0.35 -1.34 0.00 0.00 175.55 175.85 3iva n PRO 961 N 0.83 1.21 -0.10 4.97 -0.04 -1.26 -4.90 135.00 135.72 3iva n PRO 961 Ca -0.01 -0.79 0.22 0.00 -0.04 0.00 0.00 63.50 62.89 3iva n PRO 961 Cb 0.50 -1.48 0.66 0.00 -0.04 0.00 0.00 33.50 33.14 3iva n PRO 961 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3iva h ARG 962 N 1.93 0.08 -0.32 0.54 2.43 -1.87 -0.90 114.38 116.28 3iva h ARG 962 Ca 0.00 -0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.25 3iva h ARG 962 Cb 0.58 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 3iva h ARG 962 CO 0.00 0.05 0.23 0.97 -1.51 0.00 0.00 179.97 179.71 3iva h ILE 963 N 0.08 0.85 0.00 1.20 2.10 -1.41 -0.59 117.51 119.75 3iva h ILE 963 Ca 0.34 -0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.27 3iva h ILE 963 Cb 1.22 0.83 0.00 0.00 -1.09 0.00 0.00 36.82 37.79 3iva h ILE 963 CO -0.03 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.22 3iva n LEU 964 N -4.45 0.54 -0.36 2.19 4.32 -0.34 -2.36 117.00 116.55 3iva n LEU 964 Ca 0.05 0.67 0.04 0.00 -0.02 0.00 0.00 56.01 56.75 3iva n LEU 964 Cb 0.39 -0.64 0.04 0.00 -1.62 0.00 0.00 43.42 41.58 3iva n LEU 964 CO 0.36 -0.65 0.40 -0.62 -1.22 0.00 0.00 177.39 175.66 3iva n GLU 965 N -2.14 0.39 -1.72 3.23 1.02 -0.23 -4.47 120.64 116.71 3iva n GLU 965 Ca 0.01 -1.08 -0.42 0.00 -0.02 0.00 0.00 57.16 55.64 3iva n GLU 965 Cb 0.15 -1.17 -0.02 0.00 -0.02 0.00 0.00 31.44 30.38 3iva n GLU 965 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3iva n ASP 966 N 0.48 3.68 0.22 1.62 2.03 -0.99 -4.84 116.55 118.74 3iva n ASP 966 Ca 0.05 1.13 0.15 0.00 0.52 0.00 0.00 54.79 56.64 3iva n ASP 966 Cb 0.23 -1.56 0.75 0.00 -0.72 0.00 0.00 41.12 39.82 3iva n ASP 966 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3iva h GLU 967 N 5.15 0.00 0.00 -0.67 9.09 -1.95 -1.26 114.58 124.94 3iva h GLU 967 Ca -0.46 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 58.93 3iva h GLU 967 Cb 1.23 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.33 3iva h GLU 967 CO 0.82 0.00 -1.01 0.28 0.05 0.00 0.00 179.01 179.16 3iva n VAL 968 N -2.59 1.48 0.79 -1.06 0.31 -1.26 -4.79 118.33 111.22 3iva n VAL 968 Ca -0.01 0.13 0.09 0.00 -0.01 0.00 0.00 64.34 64.55 3iva n VAL 968 Cb 0.12 -2.28 0.06 0.00 -0.91 0.00 0.00 33.84 30.83 3iva n VAL 968 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3iva n VAL 969 N -4.38 0.00 -0.21 2.52 0.24 -1.25 -4.61 118.33 110.64 3iva n VAL 969 Ca -0.15 -0.46 0.01 0.00 -2.04 0.00 0.00 64.34 61.71 3iva n VAL 969 Cb 0.50 1.35 0.11 0.00 -1.47 0.00 0.00 33.84 34.34 3iva n VAL 969 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3iva h GLY 970 N 3.74 0.75 0.82 7.63 0.00 -1.24 0.40 103.07 115.16 3iva h GLY 970 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 3iva h GLY 970 CO 0.00 -0.16 -0.21 -2.08 0.00 0.00 0.00 176.54 174.08 3iva h VAL 971 N 0.19 0.55 -0.23 4.60 2.07 -1.78 -0.31 116.25 121.33 3iva h VAL 971 Ca 0.33 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.79 3iva h VAL 971 Cb 0.52 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3iva h VAL 971 CO -0.47 0.00 -0.14 -0.33 0.02 0.00 0.00 177.57 176.65 3iva h GLU 972 N -0.49 0.39 -0.27 1.57 4.39 -1.69 -1.85 114.58 116.62 3iva h GLU 972 Ca -0.02 -0.11 -0.09 0.00 0.34 0.00 0.00 59.36 59.49 3iva h GLU 972 Cb 0.43 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 3iva h GLU 972 CO -0.01 0.53 -0.20 0.00 -1.16 0.00 0.00 179.01 178.18 3iva h ALA 973 N 1.49 1.15 -0.34 3.43 0.00 0.01 -0.85 119.26 124.16 3iva h ALA 973 Ca 0.07 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 3iva h ALA 973 Cb 0.47 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3iva h ALA 973 CO 0.03 0.54 -0.00 1.96 0.00 0.00 0.00 179.25 181.77 3iva h GLN 974 N 0.45 0.60 -0.15 0.00 4.20 -0.29 0.96 115.11 120.88 3iva h GLN 974 Ca 0.07 -0.19 -0.12 0.00 0.06 0.00 0.00 58.65 58.47 3iva h GLN 974 Cb 0.60 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3iva h GLN 974 CO 0.04 0.72 -0.45 0.00 -0.67 0.00 0.00 178.83 178.48 3iva h ARG 975 N 0.40 0.37 -0.23 1.46 3.08 -1.14 0.25 114.38 118.58 3iva h ARG 975 Ca 0.10 -0.19 -0.20 0.00 0.07 0.00 0.00 59.98 59.76 3iva h ARG 975 Cb 0.46 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3iva h ARG 975 CO 0.02 0.74 -0.64 1.25 -1.07 0.00 0.00 179.97 180.28 3iva h LEU 976 N 0.30 0.92 -0.47 3.04 7.12 -1.08 -1.21 115.31 123.93 3iva h LEU 976 Ca 0.02 -0.53 -0.09 0.00 0.13 0.00 0.00 57.88 57.41 3iva h LEU 976 Cb 0.91 -0.27 -0.02 0.00 -0.53 0.00 0.00 40.66 40.75 3iva h LEU 976 CO 0.08 1.32 -0.04 0.15 -0.13 0.00 0.00 178.44 179.82 3iva h PHE 977 N 0.59 0.95 -0.32 1.25 3.57 -0.53 -1.24 116.94 121.20 3iva h PHE 977 Ca -0.01 -0.18 -0.03 0.00 3.53 0.00 0.00 57.97 61.28 3iva h PHE 977 Cb 1.25 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 3iva h PHE 977 CO 0.07 0.92 0.08 -0.22 -2.23 0.00 0.00 178.31 176.93 3iva h LYS 978 N 0.71 0.52 0.08 1.11 1.63 -0.43 -1.92 116.57 118.26 3iva h LYS 978 Ca 0.13 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 3iva h LYS 978 Cb 0.57 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.12 3iva h LYS 978 CO 0.03 0.58 -0.08 -0.44 -3.45 0.00 0.00 179.45 176.09 3iva h ASP 979 N 0.36 -0.20 -0.58 4.20 3.32 -1.05 0.17 116.42 122.64 3iva h ASP 979 Ca 0.10 0.02 0.10 0.00 0.02 0.00 0.00 57.03 57.28 3iva h ASP 979 Cb 0.29 0.07 -0.08 0.00 0.22 0.00 0.00 39.33 39.83 3iva h ASP 979 CO 0.00 -0.12 0.14 0.00 -1.72 0.00 0.00 179.24 177.54 3iva h ALA 980 N 0.75 0.69 -0.10 3.45 0.00 -1.15 0.03 119.26 122.93 3iva h ALA 980 Ca 0.01 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3iva h ALA 980 Cb 0.17 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3iva h ALA 980 CO -0.02 -0.28 -0.40 -0.91 0.00 0.00 0.00 179.25 177.63 3iva h ASN 981 N 0.28 0.23 -0.21 0.00 2.35 -1.03 -0.88 115.58 116.32 3iva h ASN 981 Ca 0.30 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3iva h ASN 981 Cb 0.42 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 3iva h ASN 981 CO -0.37 0.61 0.12 0.44 -1.65 0.00 0.00 177.43 176.58 3iva h ASP 982 N 0.18 0.26 -0.46 5.81 5.19 0.11 -1.06 116.42 126.45 3iva h ASP 982 Ca 0.02 -0.07 -0.06 0.00 -0.62 0.00 0.00 57.03 56.29 3iva h ASP 982 Cb 0.79 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.21 3iva h ASP 982 CO 0.06 0.26 0.07 -0.03 -3.12 0.00 0.00 179.24 176.48 3iva h MET 983 N 0.24 0.83 -0.73 3.56 4.05 -0.75 -2.30 114.93 119.83 3iva h MET 983 Ca 0.07 -0.20 -0.05 0.00 -0.28 0.00 0.00 59.70 59.25 3iva h MET 983 Cb 0.05 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.71 3iva h MET 983 CO -0.01 0.79 0.28 -0.07 0.23 0.00 0.00 176.91 178.12 3iva h LEU 984 N 0.79 1.02 -0.41 3.39 3.38 -0.83 0.29 115.31 122.95 3iva h LEU 984 Ca 0.16 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.98 3iva h LEU 984 Cb 0.38 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3iva h LEU 984 CO 0.01 0.93 0.21 0.44 0.09 0.00 0.00 178.44 180.12 3iva h ASP 985 N 1.06 0.31 0.42 -0.43 3.32 -0.72 0.20 116.42 120.59 3iva h ASP 985 Ca 0.24 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 3iva h ASP 985 Cb 0.24 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3iva h ASP 985 CO -0.02 0.23 -0.20 0.11 -1.72 0.00 0.00 179.24 177.64 3iva h LYS 986 N 0.42 -0.54 -0.93 3.56 1.57 -1.02 -1.07 116.57 118.56 3iva h LYS 986 Ca 0.17 0.04 0.23 0.00 -1.87 0.00 0.00 60.65 59.22 3iva h LYS 986 Cb 0.07 0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 3iva h LYS 986 CO -0.11 -0.24 0.62 -0.07 -0.57 0.00 0.00 179.45 179.08 3iva h LEU 987 N -0.85 0.32 0.11 2.94 -0.00 -0.22 -0.66 115.31 116.95 3iva h LEU 987 Ca -0.06 0.04 -0.18 0.00 -0.00 0.00 0.00 57.88 57.68 3iva h LEU 987 Cb 0.55 -0.02 0.02 0.00 -0.00 0.00 0.00 40.66 41.22 3iva h LEU 987 CO 0.09 0.11 -0.78 -1.28 -0.00 0.00 0.00 178.44 176.58 3iva h SER 988 N 0.31 0.50 -0.35 -0.43 0.87 -0.50 -1.86 113.55 112.10 3iva h SER 988 Ca 0.48 -0.90 -0.08 0.00 -1.23 0.00 0.00 61.79 60.06 3iva h SER 988 Cb 1.36 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 3iva h SER 988 CO -0.16 1.36 -0.07 0.00 -0.53 0.00 0.00 176.83 177.43 3iva h ALA 989 N 0.15 1.06 -0.00 6.23 0.00 -0.49 -2.82 119.26 123.40 3iva h ALA 989 Ca -0.13 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3iva h ALA 989 Cb 1.57 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3iva h ALA 989 CO 0.15 0.58 -0.50 0.39 0.00 0.00 0.00 179.25 179.87 3iva n GLU 990 N -4.19 0.08 -3.41 0.00 1.02 -0.32 -4.94 120.64 108.88 3iva n GLU 990 Ca 0.02 -0.05 -0.25 0.00 -0.02 0.00 0.00 57.16 56.86 3iva n GLU 990 Cb 0.34 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.28 3iva n GLU 990 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3iva n LYS 991 N -1.42 -4.59 0.21 3.49 4.76 -0.74 -4.85 118.16 115.02 3iva n LYS 991 Ca 0.06 0.65 0.10 0.00 -2.87 0.00 0.00 58.31 56.25 3iva n LYS 991 Cb 0.34 -5.47 0.18 0.00 -1.84 0.00 0.00 35.03 28.24 3iva n LYS 991 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3iva h THR 992 N -1.46 0.21 -3.25 -0.18 1.03 -1.74 -3.42 112.91 104.10 3iva h THR 992 Ca -0.50 -1.25 -0.57 0.00 -0.01 0.00 0.00 66.41 64.08 3iva h THR 992 Cb 1.34 2.06 -0.35 0.00 -1.07 0.00 0.00 68.15 70.12 3iva h THR 992 CO 0.58 0.12 -0.83 -0.22 -0.01 0.00 0.00 175.52 175.16 3iva s LEU 993 N -6.28 1.62 -0.33 0.00 2.96 -1.25 -4.79 118.68 110.61 3iva s LEU 993 Ca 0.06 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 3iva s LEU 993 Cb 0.06 -1.03 0.10 0.00 0.50 0.00 0.00 46.19 45.82 3iva s LEU 993 CO 0.68 -0.02 0.09 0.20 -1.32 0.00 0.00 176.35 175.98 3iva s ASN 994 N 1.15 4.28 0.32 3.68 0.01 -1.26 -4.85 114.94 118.26 3iva s ASN 994 Ca -0.04 -1.86 -0.29 0.00 -0.71 0.00 0.00 52.86 49.96 3iva s ASN 994 Cb -0.14 -1.14 -0.12 0.00 0.41 0.00 0.00 41.25 40.26 3iva s ASN 994 CO -0.04 -0.40 1.49 -2.65 -1.51 0.00 0.00 177.10 174.00 3iva n PRO 995 N 4.59 2.50 -3.79 -0.60 -0.02 -1.10 -4.21 135.00 132.37 3iva n PRO 995 Ca 0.00 0.88 -0.10 0.00 -2.02 0.00 0.00 63.50 62.27 3iva n PRO 995 Cb 0.42 -2.60 -0.05 0.00 -0.02 0.00 0.00 33.50 31.24 3iva n PRO 995 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3iva s ARG 996 N -1.14 1.18 0.00 -0.52 1.70 -0.93 -3.74 118.95 115.51 3iva s ARG 996 Ca 0.60 -0.93 0.00 0.00 -0.47 0.00 0.00 55.73 54.94 3iva s ARG 996 Cb -0.53 0.45 0.00 0.00 -0.57 0.00 0.00 34.95 34.30 3iva s ARG 996 CO 0.55 -0.47 0.00 0.41 -1.08 0.00 0.00 175.30 174.71 3iva n GLY 997 N -0.25 1.67 3.44 3.88 0.00 -0.15 -1.14 105.19 112.65 3iva n GLY 997 Ca -0.11 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 3iva n GLY 997 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iva s VAL 998 N -2.44 0.01 0.12 1.61 0.11 0.15 -1.10 120.40 118.86 3iva s VAL 998 Ca 0.00 -0.06 0.05 0.00 -2.93 0.00 0.00 61.98 59.04 3iva s VAL 998 Cb 0.00 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 3iva s VAL 998 CO 0.00 -0.03 -0.12 0.54 -3.33 0.00 0.00 175.10 172.16 3iva s VAL 999 N -0.13 1.16 -0.14 2.04 0.11 -0.30 -1.46 120.40 121.68 3iva s VAL 999 Ca -0.03 -1.79 -0.27 0.00 -2.93 0.00 0.00 61.98 56.96 3iva s VAL 999 Cb -0.03 -1.57 0.07 0.00 -1.53 0.00 0.00 36.38 33.32 3iva s VAL 999 CO 0.03 -0.56 0.66 -0.83 -3.33 0.00 0.00 175.10 171.07 3iva s GLY 1000N -2.66 -0.53 -0.02 6.54 0.00 0.08 -0.36 107.32 110.37 3iva s GLY 1000Ca 0.10 1.53 0.06 0.00 0.00 0.00 0.00 44.72 46.41 3iva s GLY 1000CO 0.01 1.22 -0.19 1.08 0.00 0.00 0.00 173.10 175.23 3iva s LEU 1001N -0.51 2.01 0.01 0.66 1.43 -0.73 -0.45 118.68 121.09 3iva s LEU 1001Ca -0.06 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.64 3iva s LEU 1001Cb -0.02 -1.00 -0.01 0.00 0.03 0.00 0.00 46.19 45.19 3iva s LEU 1001CO 0.06 0.22 0.06 -0.36 0.23 0.00 0.00 176.35 176.56 3iva s PHE 1002N -0.32 0.14 0.37 0.29 0.08 -0.53 -1.47 117.98 116.54 3iva s PHE 1002Ca 0.04 -0.30 -0.27 0.00 0.12 0.00 0.00 56.93 56.52 3iva s PHE 1002Cb -0.09 -0.11 -0.09 0.00 -0.57 0.00 0.00 43.02 42.16 3iva s PHE 1002CO 0.00 -0.24 1.28 -2.14 -0.10 0.00 0.00 175.22 174.02 3iva s PRO 1003N -1.39 4.17 0.14 0.24 0.02 -1.26 -1.59 135.00 135.32 3iva s PRO 1003Ca -0.15 2.12 -0.16 0.00 0.02 0.00 0.00 61.00 62.83 3iva s PRO 1003Cb -0.09 -2.90 0.03 0.00 0.02 0.00 0.00 34.50 31.57 3iva s PRO 1003CO 0.00 -0.31 0.40 0.00 -0.33 0.00 0.00 177.00 176.77 3iva s ALA 1004N -1.23 -0.85 0.00 -1.55 0.00 -0.69 -1.92 121.76 115.52 3iva s ALA 1004Ca 0.53 -0.14 -0.20 0.00 0.00 0.00 0.00 51.96 52.15 3iva s ALA 1004Cb -0.37 0.72 0.04 0.00 0.00 0.00 0.00 23.12 23.50 3iva s ALA 1004CO 0.49 -0.66 0.44 -0.80 0.00 0.00 0.00 175.76 175.22 3iva s ASN 1005N -2.83 -0.34 0.35 0.00 -0.87 -0.93 -3.52 114.94 106.81 3iva s ASN 1005Ca 0.05 0.19 -0.18 0.00 -1.57 0.00 0.00 52.86 51.34 3iva s ASN 1005Cb 0.02 0.41 -0.10 0.00 -0.02 0.00 0.00 41.25 41.56 3iva s ASN 1005CO -0.10 -0.58 0.82 -0.60 -2.57 0.00 0.00 177.10 174.07 3iva s ARG 1006N -1.81 4.14 -0.28 -0.60 3.52 -0.50 -0.41 118.95 123.02 3iva s ARG 1006Ca -0.09 0.89 0.00 0.00 -0.13 0.00 0.00 55.73 56.39 3iva s ARG 1006Cb -0.02 -2.41 0.15 0.00 -1.56 0.00 0.00 34.95 31.11 3iva s ARG 1006CO 0.03 0.12 0.37 0.14 -0.81 0.00 0.00 175.30 175.15 3iva s VAL 1007N -1.99 -0.56 0.00 7.11 -7.23 -0.66 -0.83 120.40 116.24 3iva s VAL 1007Ca 0.56 -0.29 0.00 0.00 -1.81 0.00 0.00 61.98 60.44 3iva s VAL 1007Cb -0.11 -0.94 0.00 0.00 0.56 0.00 0.00 36.38 35.89 3iva s VAL 1007CO 0.17 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.28 3iva n GLY 1008N 5.34 2.61 1.22 2.32 0.00 -1.26 -1.88 105.19 113.54 3iva n GLY 1008Ca -0.01 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.84 3iva n GLY 1008CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iva n ASP 1009N 7.18 3.71 -4.79 1.61 8.00 -1.26 -4.81 116.55 126.18 3iva n ASP 1009Ca 0.00 -1.99 -0.30 0.00 0.71 0.00 0.00 54.79 53.21 3iva n ASP 1009Cb 0.00 -0.40 -0.06 0.00 -0.02 0.00 0.00 41.12 40.65 3iva n ASP 1009CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3iva s ASP 1010N -1.12 4.28 -0.16 -2.24 1.01 -0.79 -4.32 116.67 113.33 3iva s ASP 1010Ca 0.43 -1.48 -0.00 0.00 0.71 0.00 0.00 52.55 52.21 3iva s ASP 1010Cb 0.23 0.36 0.04 0.00 1.01 0.00 0.00 42.92 44.56 3iva s ASP 1010CO 0.31 -0.88 -0.07 -0.63 0.21 0.00 0.00 175.17 174.11 3iva s ILE 1011N -2.82 1.21 0.26 0.77 1.01 0.11 -1.65 121.20 120.09 3iva s ILE 1011Ca 0.18 -0.61 -0.29 0.00 0.00 0.00 0.00 60.65 59.93 3iva s ILE 1011Cb 0.01 -1.31 -0.09 0.00 0.01 0.00 0.00 42.46 41.08 3iva s ILE 1011CO 0.10 0.21 0.95 -1.61 0.00 0.00 0.00 174.94 174.59 3iva s GLU 1012N 1.60 4.80 -0.16 2.79 2.02 0.45 -1.22 118.70 128.99 3iva s GLU 1012Ca 0.02 1.47 0.02 0.00 0.02 0.00 0.00 54.97 56.50 3iva s GLU 1012Cb -0.15 -3.20 0.02 0.00 0.10 0.00 0.00 34.13 30.90 3iva s GLU 1012CO -0.08 0.47 -0.21 0.42 0.02 0.00 0.00 175.26 175.88 3iva s ILE 1013N -1.25 2.06 0.36 -1.63 1.01 -0.13 -2.19 121.20 119.42 3iva s ILE 1013Ca 0.43 -0.96 -0.04 0.00 0.00 0.00 0.00 60.65 60.08 3iva s ILE 1013Cb -0.25 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 3iva s ILE 1013CO 0.31 0.54 0.62 -0.31 0.00 0.00 0.00 174.94 176.10 3iva s TYR 1014N 1.08 3.50 0.20 3.97 2.02 -0.81 0.23 117.35 127.54 3iva s TYR 1014Ca -0.00 0.64 -0.03 0.00 -0.37 0.00 0.00 57.07 57.31 3iva s TYR 1014Cb -0.14 -2.12 0.14 0.00 -0.40 0.00 0.00 41.96 39.44 3iva s TYR 1014CO -0.08 0.04 1.53 -0.09 -1.57 0.00 0.00 175.55 175.38 3iva h ARG 1015N 1.09 0.56 0.00 -0.62 2.43 -1.10 -3.39 114.38 113.35 3iva h ARG 1015Ca -0.48 -0.33 -0.04 0.00 -0.81 0.00 0.00 59.98 58.32 3iva h ARG 1015Cb 1.20 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 3iva h ARG 1015CO 0.64 0.93 -0.00 -0.40 -1.51 0.00 0.00 179.97 179.62 3iva n ASP 1016N -3.98 -0.33 0.01 -3.80 5.68 -1.26 -4.98 116.55 107.89 3iva n ASP 1016Ca -0.03 -1.36 0.09 0.00 -0.50 0.00 0.00 54.79 52.99 3iva n ASP 1016Cb 0.57 0.59 0.37 0.00 -1.14 0.00 0.00 41.12 41.51 3iva n ASP 1016CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 3iva n GLU 1017N -0.11 0.02 0.19 0.11 4.07 -1.26 -2.41 120.64 121.24 3iva n GLU 1017Ca -0.00 0.22 0.06 0.00 -0.06 0.00 0.00 57.16 57.38 3iva n GLU 1017Cb 0.12 -1.53 0.33 0.00 -0.06 0.00 0.00 31.44 30.30 3iva n GLU 1017CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 3iva h THR 1018N 0.00 0.81 -5.90 6.31 1.35 -1.99 -3.47 112.91 110.02 3iva h THR 1018Ca 0.00 -1.50 -0.39 0.00 -0.55 0.00 0.00 66.41 63.97 3iva h THR 1018Cb 0.31 1.94 0.10 0.00 -1.73 0.00 0.00 68.15 68.77 3iva h THR 1018CO 0.00 0.35 -0.76 0.54 -0.25 0.00 0.00 175.52 175.39 3iva n ARG 1019N -3.48 -6.32 -0.05 4.72 1.74 -1.01 -4.90 116.66 107.36 3iva n ARG 1019Ca 0.00 0.75 -0.03 0.00 -0.77 0.00 0.00 57.85 57.80 3iva n ARG 1019Cb 0.51 -5.63 -0.09 0.00 -1.02 0.00 0.00 32.46 26.23 3iva n ARG 1019CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3iva n THR 1020N -4.44 0.62 -4.04 0.55 -2.24 -1.26 -4.95 114.28 98.52 3iva n THR 1020Ca -0.18 -0.44 -0.34 0.00 -2.27 0.00 0.00 64.05 60.82 3iva n THR 1020Cb 0.63 -0.50 -0.15 0.00 -2.10 0.00 0.00 70.33 68.20 3iva n THR 1020CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3iva s HIS 1021N -2.40 2.86 -0.41 4.78 5.65 -1.26 -5.07 115.29 119.44 3iva s HIS 1021Ca -0.05 -1.39 -0.23 0.00 0.25 0.00 0.00 55.06 53.63 3iva s HIS 1021Cb 0.04 -1.99 0.02 0.00 -1.18 0.00 0.00 32.58 29.47 3iva s HIS 1021CO 0.48 -0.71 0.78 0.08 -0.65 0.00 0.00 174.74 174.72 3iva s VAL 1022N 1.36 4.69 -0.79 0.89 1.01 -1.26 -0.45 120.40 125.85 3iva s VAL 1022Ca 0.05 0.63 0.25 0.00 0.00 0.00 0.00 61.98 62.92 3iva s VAL 1022Cb -0.14 -4.26 0.08 0.00 0.00 0.00 0.00 36.38 32.06 3iva s VAL 1022CO -0.09 -0.58 1.46 2.30 0.00 0.00 0.00 175.10 178.19 3iva n ILE 1023N 5.97 0.24 -3.62 2.22 -5.35 0.13 -4.92 119.36 114.05 3iva n ILE 1023Ca 0.02 -0.17 -0.01 0.00 -0.27 0.00 0.00 62.75 62.33 3iva n ILE 1023Cb 0.48 -0.12 -0.01 0.00 -1.74 0.00 0.00 39.64 38.25 3iva n ILE 1023CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3iva s ASN 1024N -3.79 -0.03 -0.04 7.28 3.84 -1.16 -5.03 114.94 116.02 3iva s ASN 1024Ca 0.09 -0.01 0.03 0.00 0.21 0.00 0.00 52.86 53.18 3iva s ASN 1024Cb 0.15 0.04 -0.00 0.00 -0.55 0.00 0.00 41.25 40.89 3iva s ASN 1024CO 0.68 -0.07 -0.13 -0.69 -2.79 0.00 0.00 177.10 174.10 3iva s VAL 1025N -2.12 1.13 -0.27 -5.21 1.01 -1.26 -0.96 120.40 112.72 3iva s VAL 1025Ca 0.12 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 3iva s VAL 1025Cb 0.01 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 3iva s VAL 1025CO -0.04 0.34 0.15 -0.55 0.00 0.00 0.00 175.10 175.00 3iva s SER 1026N 0.11 5.80 -0.11 3.32 0.15 -0.36 -4.95 113.70 117.67 3iva s SER 1026Ca -0.03 -0.05 -0.03 0.00 0.70 0.00 0.00 55.95 56.54 3iva s SER 1026Cb -0.10 -2.07 -0.01 0.00 -1.71 0.00 0.00 66.02 62.13 3iva s SER 1026CO 0.01 -0.03 -0.03 0.45 1.20 0.00 0.00 173.24 174.84 3iva h HIS 1027N 8.22 0.00 -3.42 3.44 3.86 -1.87 0.32 115.15 125.70 3iva h HIS 1027Ca -0.36 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.85 3iva h HIS 1027Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 3iva h HIS 1027CO 0.73 0.02 -0.85 0.72 0.86 0.00 0.00 177.93 179.40 3iva n HIS 1028N -4.73 -4.02 -4.27 2.45 8.25 -1.26 -3.62 115.22 108.02 3iva n HIS 1028Ca -0.02 2.15 -0.26 0.00 -0.26 0.00 0.00 57.72 59.33 3iva n HIS 1028Cb 0.08 -3.33 -0.08 0.00 1.12 0.00 0.00 29.99 27.77 3iva n HIS 1028CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3iva s LEU 1029N -3.94 3.12 -0.09 2.41 1.43 -1.26 -4.72 118.68 115.63 3iva s LEU 1029Ca 0.00 -0.54 -0.00 0.00 -1.03 0.00 0.00 54.13 52.56 3iva s LEU 1029Cb 0.00 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 3iva s LEU 1029CO 0.00 0.08 -0.06 -0.60 0.23 0.00 0.00 176.35 175.99 3iva s ARG 1030N -3.06 3.00 0.19 1.70 3.52 -1.26 -4.48 118.95 118.55 3iva s ARG 1030Ca 0.27 -0.55 -0.33 0.00 -0.13 0.00 0.00 55.73 55.00 3iva s ARG 1030Cb -0.08 -2.67 -0.14 0.00 -1.56 0.00 0.00 34.95 30.50 3iva s ARG 1030CO 0.17 0.54 1.48 1.04 -0.81 0.00 0.00 175.30 177.73 3iva n GLN 1031N 2.59 2.01 -3.34 5.12 6.02 -0.65 -4.91 117.38 124.23 3iva n GLN 1031Ca -0.18 0.72 -0.28 0.00 -0.01 0.00 0.00 57.00 57.25 3iva n GLN 1031Cb 0.53 -2.43 -0.07 0.00 1.02 0.00 0.00 30.24 29.29 3iva n GLN 1031CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 3iva n GLN 1032N 2.74 2.75 -3.85 -1.09 7.27 -1.26 -4.71 117.38 119.23 3iva n GLN 1032Ca 0.15 -4.69 -0.12 0.00 0.07 0.00 0.00 57.00 52.41 3iva n GLN 1032Cb 0.29 -2.27 -0.12 0.00 2.41 0.00 0.00 30.24 30.54 3iva n GLN 1032CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 3iva s THR 1033N -2.72 0.02 0.30 1.69 2.01 -1.26 -3.57 115.64 112.12 3iva s THR 1033Ca 0.40 -0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.94 3iva s THR 1033Cb 0.16 -0.19 -0.12 0.00 0.01 0.00 0.00 72.50 72.36 3iva s THR 1033CO -0.02 -0.09 1.58 1.21 -0.69 0.00 0.00 174.62 176.61 3iva n GLU 1034N 2.71 2.67 -3.84 4.92 2.13 -0.90 -4.80 120.64 123.52 3iva n GLU 1034Ca -0.15 0.95 -0.12 0.00 0.66 0.00 0.00 57.16 58.50 3iva n GLU 1034Cb 0.58 -2.72 -0.13 0.00 0.27 0.00 0.00 31.44 29.44 3iva n GLU 1034CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3iva s LYS 1035N -0.70 0.09 -0.08 5.31 1.02 -1.26 -4.98 119.74 119.14 3iva s LYS 1035Ca 0.63 0.12 0.04 0.00 0.02 0.00 0.00 55.97 56.77 3iva s LYS 1035Cb -0.50 0.03 0.00 0.00 -0.52 0.00 0.00 37.83 36.85 3iva s LYS 1035CO 0.50 -0.02 -0.20 0.95 -0.92 0.00 0.00 175.35 175.66 3iva s THR 1036N 0.09 1.74 0.00 2.17 -4.23 -1.26 -4.65 115.64 109.50 3iva s THR 1036Ca -0.00 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 3iva s THR 1036Cb -0.01 -1.52 0.00 0.00 1.34 0.00 0.00 72.50 72.31 3iva s THR 1036CO -0.00 0.49 0.00 0.61 -0.54 0.00 0.00 174.62 175.18 3iva n GLY 1037N 3.52 2.93 3.51 3.99 0.00 -1.26 -4.97 105.19 112.91 3iva n GLY 1037Ca -0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 3iva n GLY 1037CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iva s PHE 1038N -1.39 2.26 0.32 1.61 0.08 -1.26 -5.16 117.98 114.44 3iva s PHE 1038Ca 0.00 -0.62 0.07 0.00 0.12 0.00 0.00 56.93 56.50 3iva s PHE 1038Cb 0.00 -1.36 -0.02 0.00 -0.57 0.00 0.00 43.02 41.07 3iva s PHE 1038CO 0.00 0.43 0.37 0.00 -0.10 0.00 0.00 175.22 175.92 3iva s ALA 1039N -2.79 4.00 -0.73 5.36 0.00 -1.26 -4.79 121.76 121.53 3iva s ALA 1039Ca 0.32 -1.53 -0.23 0.00 0.00 0.00 0.00 51.96 50.52 3iva s ALA 1039Cb 0.04 -1.43 0.07 0.00 0.00 0.00 0.00 23.12 21.80 3iva s ALA 1039CO 0.15 0.02 1.09 -0.80 0.00 0.00 0.00 175.76 176.22 3iva s ASN 1040N -4.06 6.25 0.46 0.00 0.01 -1.11 -4.95 114.94 111.54 3iva s ASN 1040Ca 0.42 -1.03 -0.24 0.00 -0.71 0.00 0.00 52.86 51.29 3iva s ASN 1040Cb -0.08 -2.46 -0.07 0.00 0.41 0.00 0.00 41.25 39.05 3iva s ASN 1040CO 0.29 -1.49 1.26 -0.31 -1.51 0.00 0.00 177.10 175.34 3iva s TYR 1041N 4.33 2.72 -0.16 2.20 2.02 -1.26 -4.46 117.35 122.74 3iva s TYR 1041Ca 0.28 1.45 -0.09 0.00 -0.37 0.00 0.00 57.07 58.35 3iva s TYR 1041Cb -0.12 -3.58 0.06 0.00 -0.40 0.00 0.00 41.96 37.91 3iva s TYR 1041CO 0.07 -2.04 0.38 0.00 -1.57 0.00 0.00 175.55 172.39 3iva h LEU 1043N 7.04 0.80 -1.01 0.00 3.38 -1.84 -0.42 115.31 123.25 3iva h LEU 1043Ca -0.37 0.06 0.21 0.00 0.09 0.00 0.00 57.88 57.87 3iva h LEU 1043Cb 1.18 -0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.72 3iva h LEU 1043CO 0.31 0.38 0.61 0.00 0.09 0.00 0.00 178.44 179.82 3iva h ALA 1044N 1.59 1.71 -1.28 1.53 0.00 -1.90 -0.44 119.26 120.47 3iva h ALA 1044Ca 0.51 0.09 0.37 0.00 0.00 0.00 0.00 54.91 55.88 3iva h ALA 1044Cb 0.69 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 3iva h ALA 1044CO -0.28 -0.11 0.92 -0.44 0.00 0.00 0.00 179.25 179.34 3iva h ASP 1045N 0.71 0.01 -0.03 0.00 5.19 -1.38 0.18 116.42 121.11 3iva h ASP 1045Ca 0.60 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.01 3iva h ASP 1045Cb 0.99 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.51 3iva h ASP 1045CO -0.41 0.00 0.00 0.49 -3.12 0.00 0.00 179.24 176.20 3iva n PHE 1046N -4.17 0.04 -4.82 4.55 3.72 -0.17 -4.75 117.46 111.86 3iva n PHE 1046Ca 0.28 -0.02 -0.33 0.00 -0.05 0.00 0.00 57.45 57.33 3iva n PHE 1046Cb 1.34 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 39.75 3iva n PHE 1046CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3iva s VAL 1047N -1.96 3.18 0.14 -4.37 1.01 0.63 -4.55 120.40 114.47 3iva s VAL 1047Ca 0.33 -0.67 -0.35 0.00 0.00 0.00 0.00 61.98 61.29 3iva s VAL 1047Cb 0.16 -2.27 -0.15 0.00 0.00 0.00 0.00 36.38 34.11 3iva s VAL 1047CO 0.26 0.58 1.42 0.00 0.00 0.00 0.00 175.10 177.36 3iva n ALA 1048N 2.52 0.15 -1.74 5.51 0.00 -1.26 -4.28 120.51 121.40 3iva n ALA 1048Ca -0.17 0.48 -0.41 0.00 0.00 0.00 0.00 53.44 53.33 3iva n ALA 1048Cb 0.52 -2.20 0.01 0.00 0.00 0.00 0.00 19.45 17.79 3iva n ALA 1048CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3iva n PRO 1049N 2.75 2.24 -0.14 0.00 -0.02 -1.26 -1.41 135.00 137.17 3iva n PRO 1049Ca 0.17 0.79 -0.05 0.00 -2.02 0.00 0.00 63.50 62.40 3iva n PRO 1049Cb 0.24 -2.55 0.04 0.00 -0.02 0.00 0.00 33.50 31.22 3iva n PRO 1049CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3iva h LYS 1050N 2.38 0.34 -1.99 -0.52 3.64 -1.29 -2.32 116.57 116.81 3iva h LYS 1050Ca -0.50 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3iva h LYS 1050Cb 1.27 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3iva h LYS 1050CO 0.61 0.22 0.00 1.28 -2.27 0.00 0.00 179.45 179.30 3iva n LEU 1051N -4.99 3.83 0.00 5.20 4.32 -1.26 -2.47 117.00 121.64 3iva n LEU 1051Ca 0.03 -1.73 0.00 0.00 -0.02 0.00 0.00 56.01 54.30 3iva n LEU 1051Cb 0.16 -0.81 0.00 0.00 -1.62 0.00 0.00 43.42 41.15 3iva n LEU 1051CO 0.26 0.72 -0.06 -1.54 -1.22 0.00 0.00 177.39 175.56 3iva n SER 1052N 1.63 0.60 0.00 -1.43 3.41 -0.87 -5.01 113.62 111.96 3iva n SER 1052Ca 0.00 -0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.44 3iva n SER 1052Cb 0.36 0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 3iva n SER 1052CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iva n GLY 1053N 0.63 1.58 3.74 5.00 0.00 -1.03 -4.94 105.19 110.17 3iva n GLY 1053Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3iva n GLY 1053CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iva s LYS 1054N -0.08 4.52 -0.28 1.61 -0.14 -1.26 -4.99 119.74 119.11 3iva s LYS 1054Ca 0.00 1.83 -0.26 0.00 -1.36 0.00 0.00 55.97 56.18 3iva s LYS 1054Cb 0.00 -3.25 0.01 0.00 -1.68 0.00 0.00 37.83 32.91 3iva s LYS 1054CO 0.00 -0.04 0.92 0.00 -0.76 0.00 0.00 175.35 175.47 3iva s ALA 1055N -0.13 3.58 0.31 5.17 0.00 -1.26 -4.90 121.76 124.53 3iva s ALA 1055Ca 0.52 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.34 3iva s ALA 1055Cb -0.32 -3.44 -0.00 0.00 0.00 0.00 0.00 23.12 19.35 3iva s ALA 1055CO 0.36 -1.19 0.04 -3.47 0.00 0.00 0.00 175.76 171.51 3iva n ASP 1056N 6.36 2.18 -3.21 0.00 -0.08 -1.23 -4.47 116.55 116.10 3iva n ASP 1056Ca 0.08 -2.48 -0.15 0.00 -1.51 0.00 0.00 54.79 50.73 3iva n ASP 1056Cb 0.47 0.43 -0.04 0.00 2.34 0.00 0.00 41.12 44.32 3iva n ASP 1056CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 3iva s TYR 1057N -2.37 1.13 -0.19 -0.67 2.02 -1.25 -1.70 117.35 114.32 3iva s TYR 1057Ca 0.06 -1.34 -0.21 0.00 -0.37 0.00 0.00 57.07 55.21 3iva s TYR 1057Cb 0.00 -0.13 0.06 0.00 -0.40 0.00 0.00 41.96 41.49 3iva s TYR 1057CO 0.04 -1.13 0.58 -1.50 -1.57 0.00 0.00 175.55 171.97 3iva s ILE 1058N -3.03 0.00 0.31 2.71 1.10 -0.62 -4.64 121.20 117.03 3iva s ILE 1058Ca 0.31 -0.02 0.10 0.00 -0.51 0.00 0.00 60.65 60.53 3iva s ILE 1058Cb -0.00 -0.83 -0.05 0.00 0.15 0.00 0.00 42.46 41.73 3iva s ILE 1058CO 0.21 -0.01 -0.10 -0.83 -2.11 0.00 0.00 174.94 172.10 3iva s GLY 1059N 0.08 2.00 0.03 1.50 0.00 -0.95 -1.45 107.32 108.53 3iva s GLY 1059Ca -0.02 -1.94 -0.11 0.00 0.00 0.00 0.00 44.72 42.65 3iva s GLY 1059CO 0.02 -1.95 0.24 0.00 0.00 0.00 0.00 173.10 171.41 3iva s ALA 1060N -2.52 -0.52 0.04 3.20 0.00 0.40 -1.24 121.76 121.12 3iva s ALA 1060Ca 0.32 -0.08 -0.23 0.00 0.00 0.00 0.00 51.96 51.97 3iva s ALA 1060Cb -0.02 0.24 0.05 0.00 0.00 0.00 0.00 23.12 23.40 3iva s ALA 1060CO 0.17 -0.35 0.53 -0.59 0.00 0.00 0.00 175.76 175.53 3iva s PHE 1061N -2.25 -0.45 -0.13 0.00 -0.12 -0.74 -0.74 117.98 113.55 3iva s PHE 1061Ca -0.07 0.51 -0.05 0.00 -0.05 0.00 0.00 56.93 57.27 3iva s PHE 1061Cb -0.02 0.36 0.06 0.00 -0.63 0.00 0.00 43.02 42.78 3iva s PHE 1061CO -0.02 -0.65 0.28 0.00 -0.05 0.00 0.00 175.22 174.78 3iva s ALA 1062N -2.40 -0.63 0.05 1.99 0.00 -0.54 -1.42 121.76 118.81 3iva s ALA 1062Ca -0.05 1.03 0.01 0.00 0.00 0.00 0.00 51.96 52.95 3iva s ALA 1062Cb -0.01 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 3iva s ALA 1062CO -0.01 -0.46 -0.06 0.14 0.00 0.00 0.00 175.76 175.37 3iva s VAL 1063N 1.94 0.43 0.02 0.00 -7.23 0.67 -0.67 120.40 115.57 3iva s VAL 1063Ca -0.03 -1.34 0.01 0.00 -1.81 0.00 0.00 61.98 58.80 3iva s VAL 1063Cb -0.11 -0.90 -0.02 0.00 0.56 0.00 0.00 36.38 35.91 3iva s VAL 1063CO -0.09 -0.61 -0.04 0.28 -0.31 0.00 0.00 175.10 174.33 3iva s THR 1064N -2.27 0.22 -0.32 5.32 -1.32 -0.29 0.07 115.64 117.05 3iva s THR 1064Ca -0.04 -0.92 0.26 0.00 -1.21 0.00 0.00 61.69 59.78 3iva s THR 1064Cb -0.04 -0.34 0.29 0.00 -1.51 0.00 0.00 72.50 70.89 3iva s THR 1064CO -0.03 -0.45 1.79 1.23 -2.21 0.00 0.00 174.62 174.95 3iva h GLY 1065N 4.66 0.00 0.00 6.08 0.00 -0.77 -2.47 103.07 110.56 3iva h GLY 1065Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 3iva h GLY 1065CO 0.41 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.56 3iva n GLY 1066N 0.00 4.07 0.00 4.60 0.00 -1.26 -2.72 105.19 109.89 3iva n GLY 1066Ca 0.02 -0.38 0.09 0.00 0.00 0.00 0.00 46.02 45.74 3iva n GLY 1066CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iva n LEU 1067N 0.00 0.00 -0.61 0.99 4.77 -1.26 -2.44 117.00 118.45 3iva n LEU 1067Ca 0.00 0.35 0.13 0.00 -0.03 0.00 0.00 56.01 56.47 3iva n LEU 1067Cb 0.00 -0.35 0.41 0.00 -2.33 0.00 0.00 43.42 41.15 3iva n LEU 1067CO 0.00 -0.14 0.81 -0.62 -1.33 0.00 0.00 177.39 176.11 3iva n GLU 1068N -1.35 1.84 -0.19 3.23 4.71 -1.26 -4.43 120.64 123.18 3iva n GLU 1068Ca 0.07 -1.22 -0.03 0.00 -0.01 0.00 0.00 57.16 55.97 3iva n GLU 1068Cb 0.16 -1.47 0.03 0.00 -1.01 0.00 0.00 31.44 29.15 3iva n GLU 1068CO 0.00 0.00 0.00 1.49 0.09 0.00 0.00 177.13 178.71 3iva h GLU 1069N 2.97 -0.09 -0.24 3.49 4.81 -1.85 -1.37 114.58 122.31 3iva h GLU 1069Ca 0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3iva h GLU 1069Cb 0.63 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 3iva h GLU 1069CO 0.00 -0.06 0.09 -0.44 -0.73 0.00 0.00 179.01 177.87 3iva h ASP 1070N -0.09 0.35 0.13 1.04 5.19 -1.86 -0.77 116.42 120.41 3iva h ASP 1070Ca 0.26 -0.19 0.02 0.00 -0.62 0.00 0.00 57.03 56.51 3iva h ASP 1070Cb 0.50 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 39.89 3iva h ASP 1070CO -0.64 0.44 -0.31 0.00 -3.12 0.00 0.00 179.24 175.60 3iva h ALA 1071N 0.92 -0.55 -0.68 3.45 0.00 -1.73 -0.46 119.26 120.22 3iva h ALA 1071Ca 0.08 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.05 3iva h ALA 1071Cb 0.21 0.51 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 3iva h ALA 1071CO -0.00 -0.86 0.28 -0.07 0.00 0.00 0.00 179.25 178.59 3iva h LEU 1072N -0.55 0.30 -0.83 0.00 3.38 -1.18 -1.06 115.31 115.37 3iva h LEU 1072Ca 0.03 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3iva h LEU 1072Cb 0.57 0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 3iva h LEU 1072CO -0.18 0.16 0.36 0.00 0.09 0.00 0.00 178.44 178.87 3iva h ALA 1073N 1.46 1.07 -0.48 1.53 0.00 -0.67 -2.77 119.26 119.40 3iva h ALA 1073Ca 0.35 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3iva h ALA 1073Cb 0.46 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3iva h ALA 1073CO -0.33 0.67 0.14 -0.44 0.00 0.00 0.00 179.25 179.30 3iva h ASP 1074N 1.19 0.70 -0.05 0.00 3.32 0.05 0.79 116.42 122.42 3iva h ASP 1074Ca 0.28 -0.21 0.04 0.00 0.02 0.00 0.00 57.03 57.16 3iva h ASP 1074Cb 0.18 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 3iva h ASP 1074CO -0.03 0.72 -0.26 0.00 -1.72 0.00 0.00 179.24 177.95 3iva h ALA 1075N 1.00 -0.32 -0.75 3.45 0.00 -0.98 0.86 119.26 122.52 3iva h ALA 1075Ca 0.15 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3iva h ALA 1075Cb 0.28 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3iva h ALA 1075CO -0.00 -0.75 0.32 0.74 0.00 0.00 0.00 179.25 179.55 3iva h PHE 1076N -0.38 1.12 -0.97 0.00 0.04 -1.41 -1.35 116.94 114.00 3iva h PHE 1076Ca 0.08 -0.07 0.08 0.00 2.80 0.00 0.00 57.97 60.85 3iva h PHE 1076Cb 0.48 -0.34 -0.07 0.00 2.20 0.00 0.00 35.95 38.22 3iva h PHE 1076CO -0.32 0.84 0.61 1.49 -0.60 0.00 0.00 178.31 180.34 3iva h GLU 1077N 1.09 1.05 0.31 1.51 4.57 0.68 0.08 114.58 123.86 3iva h GLU 1077Ca 0.25 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.36 3iva h GLU 1077Cb 0.18 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 3iva h GLU 1077CO -0.02 0.69 -0.23 0.00 -1.18 0.00 0.00 179.01 178.27 3iva h ALA 1078N 1.46 -1.01 0.00 2.92 0.00 0.18 -2.56 119.26 120.25 3iva h ALA 1078Ca 0.43 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3iva h ALA 1078Cb 0.24 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3iva h ALA 1078CO -0.19 -1.01 0.00 0.00 0.00 0.00 0.00 179.25 178.05 3iva n GLN 1079N -3.73 0.49 -3.72 0.00 10.64 -0.98 -4.76 117.38 115.32 3iva n GLN 1079Ca -0.06 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 54.83 3iva n GLN 1079Cb 0.22 -1.25 -0.03 0.00 -0.86 0.00 0.00 30.24 28.32 3iva n GLN 1079CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 3iva n HIS 1080N 0.66 -1.62 -3.37 2.61 8.25 -0.97 -4.89 115.22 115.90 3iva n HIS 1080Ca 0.00 0.51 -0.45 0.00 -0.26 0.00 0.00 57.72 57.52 3iva n HIS 1080Cb 0.22 -2.25 -0.02 0.00 1.12 0.00 0.00 29.99 29.06 3iva n HIS 1080CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3iva s ASP 1081N -2.85 6.82 0.35 0.41 -1.08 -0.01 -4.71 116.67 115.60 3iva s ASP 1081Ca 0.52 -3.05 0.11 0.00 -0.52 0.00 0.00 52.55 49.61 3iva s ASP 1081Cb -0.29 -2.17 0.66 0.00 -1.46 0.00 0.00 42.92 39.65 3iva s ASP 1081CO 0.64 -0.45 1.81 0.44 0.52 0.00 0.00 175.17 178.13 3iva h ASP 1082N 7.29 0.08 0.00 -0.34 5.19 -1.89 -2.79 116.42 123.96 3iva h ASP 1082Ca 0.13 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 3iva h ASP 1082Cb 0.97 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.46 3iva h ASP 1082CO 0.84 0.44 -0.01 0.22 -3.12 0.00 0.00 179.24 177.60 3iva h TYR 1083N 0.07 -0.03 -0.01 4.55 3.20 -1.89 -1.72 116.97 121.14 3iva h TYR 1083Ca 0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3iva h TYR 1083Cb 0.67 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.95 3iva h TYR 1083CO 0.00 -0.01 0.00 0.27 -1.64 0.00 0.00 178.16 176.78 3iva n ASN 1084N -2.49 0.20 0.03 -2.11 0.23 -1.25 -1.05 115.26 108.83 3iva n ASN 1084Ca -0.00 -1.20 -0.20 0.00 -0.53 0.00 0.00 54.58 52.65 3iva n ASN 1084Cb 0.01 -0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.60 3iva n ASN 1084CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3iva h LYS 1085N 0.30 0.70 0.02 -3.83 3.64 -1.20 -1.26 116.57 114.93 3iva h LYS 1085Ca 0.00 -0.73 -0.19 0.00 -1.27 0.00 0.00 60.65 58.46 3iva h LYS 1085Cb 0.06 0.20 0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3iva h LYS 1085CO 0.00 1.31 -0.75 0.82 -2.27 0.00 0.00 179.45 178.56 3iva h ILE 1086N 0.39 1.39 0.09 2.00 2.04 -1.02 -3.23 117.51 119.17 3iva h ILE 1086Ca -0.12 -2.17 0.02 0.00 1.00 0.00 0.00 64.86 63.59 3iva h ILE 1086Cb 1.64 2.60 -0.04 0.00 -0.74 0.00 0.00 36.82 40.27 3iva h ILE 1086CO 0.19 0.64 -0.36 -0.03 0.00 0.00 0.00 178.15 178.59 3iva h MET 1087N 0.00 -0.56 -0.72 2.37 4.05 -1.09 -0.11 114.93 118.88 3iva h MET 1087Ca -0.10 0.04 0.06 0.00 -0.28 0.00 0.00 59.70 59.42 3iva h MET 1087Cb 1.46 0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 32.34 3iva h MET 1087CO 0.15 -0.37 0.47 -0.24 0.23 0.00 0.00 176.91 177.15 3iva h VAL 1088N -0.58 1.04 -0.01 -5.77 3.04 -1.35 0.27 116.25 112.89 3iva h VAL 1088Ca 0.03 -0.26 -0.25 0.00 -1.01 0.00 0.00 66.70 65.21 3iva h VAL 1088Cb 0.62 0.20 0.02 0.00 -2.01 0.00 0.00 31.29 30.12 3iva h VAL 1088CO -0.23 0.14 -0.97 0.11 -1.01 0.00 0.00 177.57 175.61 3iva h LYS 1089N 0.77 0.67 -0.39 4.17 1.57 -1.50 0.54 116.57 122.40 3iva h LYS 1089Ca 0.31 -0.71 -0.07 0.00 -1.87 0.00 0.00 60.65 58.31 3iva h LYS 1089Cb 0.22 0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 3iva h LYS 1089CO -0.10 1.30 -0.04 0.00 -0.57 0.00 0.00 179.45 180.03 3iva h ALA 1090N 0.40 1.20 -0.04 3.86 0.00 -0.50 -0.82 119.26 123.36 3iva h ALA 1090Ca -0.12 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.34 3iva h ALA 1090Cb 1.63 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 3iva h ALA 1090CO 0.19 0.52 -0.80 -0.07 0.00 0.00 0.00 179.25 179.09 3iva h LEU 1091N 0.60 0.42 -0.98 0.00 4.07 -0.44 -1.84 115.31 117.14 3iva h LEU 1091Ca 0.12 -0.30 -0.09 0.00 0.08 0.00 0.00 57.88 57.69 3iva h LEU 1091Cb 0.45 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.05 3iva h LEU 1091CO 0.02 1.06 -0.24 0.00 -1.08 0.00 0.00 178.44 178.21 3iva h ALA 1092N 0.92 1.14 -0.27 1.53 0.00 -0.36 -0.65 119.26 121.57 3iva h ALA 1092Ca -0.04 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 3iva h ALA 1092Cb 1.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3iva h ALA 1092CO 0.13 0.54 -0.13 -0.44 0.00 0.00 0.00 179.25 179.36 3iva h ASP 1093N 0.41 0.58 -0.64 0.00 3.45 -1.02 -1.45 116.42 117.75 3iva h ASP 1093Ca 0.06 -0.41 -0.01 0.00 0.43 0.00 0.00 57.03 57.11 3iva h ASP 1093Cb 0.64 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 39.22 3iva h ASP 1093CO 0.05 0.86 0.38 0.03 -1.57 0.00 0.00 179.24 178.99 3iva h ARG 1094N 0.30 0.88 -0.68 3.56 2.47 -1.09 -1.34 114.38 118.49 3iva h ARG 1094Ca 0.06 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 58.69 3iva h ARG 1094Cb 0.64 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.75 3iva h ARG 1094CO 0.04 0.63 0.40 -0.07 0.56 0.00 0.00 179.97 181.53 3iva h LEU 1095N 0.87 0.81 -0.10 3.04 4.07 -1.00 0.21 115.31 123.22 3iva h LEU 1095Ca 0.23 -0.05 -0.03 0.00 0.08 0.00 0.00 57.88 58.11 3iva h LEU 1095Cb -0.01 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.52 3iva h LEU 1095CO -0.04 0.63 -0.07 0.00 -1.08 0.00 0.00 178.44 177.88 3iva h ALA 1096N 1.51 0.14 -0.09 1.53 0.00 -0.71 -0.66 119.26 120.98 3iva h ALA 1096Ca 0.24 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3iva h ALA 1096Cb -0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3iva h ALA 1096CO -0.04 -0.06 -0.35 1.49 0.00 0.00 0.00 179.25 180.28 3iva h GLU 1097N -0.18 0.18 -0.29 0.00 4.57 -1.02 -1.55 114.58 116.30 3iva h GLU 1097Ca 0.02 -0.07 -0.11 0.00 -1.18 0.00 0.00 59.36 58.02 3iva h GLU 1097Cb 0.56 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 3iva h GLU 1097CO 0.02 0.52 -0.27 0.00 -1.18 0.00 0.00 179.01 178.10 3iva h ALA 1098N 1.48 0.99 -0.35 2.92 0.00 -0.46 -1.87 119.26 121.98 3iva h ALA 1098Ca 0.02 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 3iva h ALA 1098Cb 0.70 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3iva h ALA 1098CO 0.05 0.60 -0.21 0.35 0.00 0.00 0.00 179.25 180.04 3iva h PHE 1099N 0.51 0.77 -0.09 0.00 3.04 -0.35 -0.92 116.94 119.91 3iva h PHE 1099Ca 0.07 -0.16 -0.10 0.00 3.98 0.00 0.00 57.97 61.76 3iva h PHE 1099Cb 0.73 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.04 3iva h PHE 1099CO 0.03 0.84 -0.39 0.00 -2.02 0.00 0.00 178.31 176.76 3iva h ALA 1100N 1.17 1.18 -0.02 2.41 0.00 -0.88 0.17 119.26 123.28 3iva h ALA 1100Ca 0.09 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 3iva h ALA 1100Cb 0.69 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.40 3iva h ALA 1100CO 0.05 0.56 -0.39 1.49 0.00 0.00 0.00 179.25 180.96 3iva h GLU 1101N 0.15 0.29 -0.29 0.00 4.57 -1.03 -2.36 114.58 115.92 3iva h GLU 1101Ca 0.02 -0.29 -0.00 0.00 -1.18 0.00 0.00 59.36 57.90 3iva h GLU 1101Cb 0.77 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 3iva h GLU 1101CO 0.06 0.98 0.18 -0.92 -1.18 0.00 0.00 179.01 178.13 3iva h TYR 1102N -0.28 0.39 -0.14 0.92 3.20 -1.06 -2.25 116.97 117.75 3iva h TYR 1102Ca -0.04 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.73 3iva h TYR 1102Cb 1.10 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 3iva h TYR 1102CO 0.16 0.28 -0.35 1.25 -1.64 0.00 0.00 178.16 177.86 3iva h LEU 1103N 0.38 0.29 -1.15 2.82 5.85 -1.05 -0.95 115.31 121.50 3iva h LEU 1103Ca 0.11 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 3iva h LEU 1103Cb 0.01 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3iva h LEU 1103CO -0.02 0.63 -0.42 -0.74 -0.34 0.00 0.00 178.44 177.54 3iva h HIS 1104N 0.25 0.00 -0.03 1.25 2.76 -1.19 0.21 115.15 118.39 3iva h HIS 1104Ca 0.03 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 3iva h HIS 1104Cb 0.73 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.69 3iva h HIS 1104CO 0.01 0.42 -0.09 1.49 -1.30 0.00 0.00 177.93 178.47 3iva h GLU 1105N 0.00 0.11 -0.75 5.26 4.81 -0.81 -1.78 114.58 121.43 3iva h GLU 1105Ca -0.00 -0.08 0.09 0.00 -0.13 0.00 0.00 59.36 59.23 3iva h GLU 1105Cb 0.76 0.01 -0.07 0.00 0.63 0.00 0.00 28.75 30.09 3iva h GLU 1105CO 0.05 0.71 0.41 0.00 -0.73 0.00 0.00 179.01 179.45 3iva h ARG 1106N -0.46 0.68 0.04 1.92 2.47 -0.93 0.20 114.38 118.30 3iva h ARG 1106Ca -0.00 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.67 3iva h ARG 1106Cb 0.72 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 3iva h ARG 1106CO 0.02 0.45 -0.02 0.28 0.56 0.00 0.00 179.97 181.26 3iva h VAL 1107N 0.70 0.98 -0.38 2.04 2.07 -0.92 0.92 116.25 121.67 3iva h VAL 1107Ca 0.36 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.80 3iva h VAL 1107Cb 0.32 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3iva h VAL 1107CO -0.24 0.02 0.25 0.03 0.02 0.00 0.00 177.57 177.65 3iva h ARG 1108N -0.09 0.50 0.14 1.57 3.08 -0.69 0.54 114.38 119.43 3iva h ARG 1108Ca -0.01 -0.03 -0.32 0.00 0.07 0.00 0.00 59.98 59.69 3iva h ARG 1108Cb 0.08 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 3iva h ARG 1108CO 0.01 0.33 -1.61 0.87 -1.07 0.00 0.00 179.97 178.50 3iva h LYS 1109N 0.52 0.29 0.00 0.04 1.57 -0.54 0.32 116.57 118.77 3iva h LYS 1109Ca 0.14 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 3iva h LYS 1109Cb -0.06 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3iva h LYS 1109CO -0.03 1.17 0.00 0.28 -0.57 0.00 0.00 179.45 180.30 3iva n VAL 1110N -3.49 0.00 -0.30 0.50 0.31 0.31 -3.83 118.33 111.83 3iva n VAL 1110Ca -0.19 0.04 0.03 0.00 -0.01 0.00 0.00 64.34 64.20 3iva n VAL 1110Cb 1.05 -0.80 0.10 0.00 -0.91 0.00 0.00 33.84 33.28 3iva n VAL 1110CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 3iva h TYR 1111N 0.00 -0.52 0.09 3.52 0.05 -1.47 -1.68 116.97 116.96 3iva h TYR 1111Ca 0.00 0.08 -0.36 0.00 0.05 0.00 0.00 58.73 58.50 3iva h TYR 1111Cb 0.00 0.36 -0.03 0.00 1.01 0.00 0.00 36.73 38.07 3iva h TYR 1111CO 0.00 -0.37 -2.02 1.87 -1.05 0.00 0.00 178.16 176.59 3iva n TRP 1112N -5.54 1.03 -2.31 4.88 -0.00 0.18 -0.61 117.44 115.08 3iva n TRP 1112Ca 0.12 0.24 -0.14 0.00 -0.00 0.00 0.00 57.50 57.72 3iva n TRP 1112Cb 0.43 -1.14 -0.00 0.00 -0.00 0.00 0.00 31.31 30.59 3iva n TRP 1112CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3iva n GLY 1113N 1.95 -0.21 0.40 5.87 0.00 -0.63 -1.87 105.19 110.69 3iva n GLY 1113Ca -0.31 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.55 3iva n GLY 1113CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3iva n TYR 1114N -4.02 0.00 -2.68 1.61 0.18 -0.45 -4.33 117.16 107.46 3iva n TYR 1114Ca -0.16 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.53 3iva n TYR 1114Cb 0.62 -0.06 0.03 0.00 -0.38 0.00 0.00 39.34 39.56 3iva n TYR 1114CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3iva n ALA 1115N -0.22 3.23 -0.01 -3.48 0.00 -0.03 -4.96 120.51 115.06 3iva n ALA 1115Ca 0.12 -3.03 0.03 0.00 0.00 0.00 0.00 53.44 50.56 3iva n ALA 1115Cb 0.40 -0.94 0.41 0.00 0.00 0.00 0.00 19.45 19.32 3iva n ALA 1115CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3iva h PRO 1116N 2.94 0.55 0.00 0.00 0.13 -1.71 -2.49 132.00 131.43 3iva h PRO 1116Ca -0.10 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3iva h PRO 1116Cb 1.18 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3iva h PRO 1116CO 0.47 0.38 -0.24 0.09 -0.23 0.00 0.00 178.00 178.47 3iva n ASN 1117N -4.46 0.37 -4.70 1.44 3.02 -1.26 -4.89 115.26 104.79 3iva n ASN 1117Ca 0.03 0.23 -0.44 0.00 -0.03 0.00 0.00 54.58 54.37 3iva n ASN 1117Cb 0.07 -0.22 -0.02 0.00 -0.61 0.00 0.00 39.78 39.00 3iva n ASN 1117CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3iva n GLU 1118N -1.70 2.31 -3.33 3.52 2.13 -0.94 -4.98 120.64 117.65 3iva n GLU 1118Ca 0.06 0.82 -0.12 0.00 0.66 0.00 0.00 57.16 58.58 3iva n GLU 1118Cb 0.37 -2.54 -0.07 0.00 0.27 0.00 0.00 31.44 29.47 3iva n GLU 1118CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 3iva s ASN 1119N 0.45 0.78 0.26 4.31 2.47 -1.26 -5.03 114.94 116.92 3iva s ASN 1119Ca 0.68 -0.66 0.08 0.00 0.42 0.00 0.00 52.86 53.38 3iva s ASN 1119Cb -0.59 0.90 -0.04 0.00 -1.45 0.00 0.00 41.25 40.07 3iva s ASN 1119CO 0.48 -0.35 0.10 -0.76 -3.72 0.00 0.00 177.10 172.85 3iva s LEU 1120N 2.33 3.51 0.65 3.21 1.43 -1.26 -5.13 118.68 123.42 3iva s LEU 1120Ca 0.11 -0.45 -0.07 0.00 -1.03 0.00 0.00 54.13 52.69 3iva s LEU 1120Cb -0.13 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.08 3iva s LEU 1120CO -0.27 -0.02 0.98 -0.55 0.23 0.00 0.00 176.35 176.72 3iva s SER 1121N -3.76 5.31 0.20 2.29 0.15 -1.26 -4.85 113.70 111.77 3iva s SER 1121Ca 0.32 0.72 -0.11 0.00 0.70 0.00 0.00 55.95 57.58 3iva s SER 1121Cb -0.07 -1.56 0.16 0.00 -1.71 0.00 0.00 66.02 62.84 3iva s SER 1121CO 0.22 -1.30 1.85 -1.13 1.20 0.00 0.00 173.24 174.08 3iva h ASN 1122N -0.41 0.69 -0.93 5.45 -1.24 -2.00 0.78 115.58 117.93 3iva h ASN 1122Ca -0.45 -0.00 0.08 0.00 0.71 0.00 0.00 56.30 56.64 3iva h ASN 1122Cb 1.28 -0.15 -0.07 0.00 0.73 0.00 0.00 38.32 40.11 3iva h ASN 1122CO 0.61 0.49 0.60 -0.08 -1.29 0.00 0.00 177.43 177.76 3iva h GLU 1123N 0.83 0.96 -0.18 6.67 4.57 -1.96 -0.57 114.58 124.90 3iva h GLU 1123Ca 0.26 -0.06 -0.12 0.00 -1.18 0.00 0.00 59.36 58.27 3iva h GLU 1123Cb -0.00 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.36 3iva h GLU 1123CO -0.10 0.63 -0.41 1.49 -1.18 0.00 0.00 179.01 179.45 3iva h GLU 1124N 0.99 0.41 -0.26 1.92 4.57 -1.32 -2.72 114.58 118.17 3iva h GLU 1124Ca 0.42 -0.20 -0.10 0.00 -1.18 0.00 0.00 59.36 58.30 3iva h GLU 1124Cb 0.32 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.90 3iva h GLU 1124CO -0.18 0.75 -0.23 -0.07 -1.18 0.00 0.00 179.01 178.11 3iva h LEU 1125N 0.34 0.65 -1.87 1.64 3.38 0.50 -2.85 115.31 117.09 3iva h LEU 1125Ca 0.03 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 3iva h LEU 1125Cb 0.86 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 3iva h LEU 1125CO 0.07 0.97 -0.03 0.40 0.09 0.00 0.00 178.44 179.94 3iva h ILE 1126N 0.33 1.04 -0.01 1.22 2.04 -1.09 0.15 117.51 121.18 3iva h ILE 1126Ca 0.04 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3iva h ILE 1126Cb 0.78 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 3iva h ILE 1126CO 0.06 0.06 0.00 0.54 0.00 0.00 0.00 178.15 178.80 3iva n ARG 1127N -4.48 1.24 -3.93 2.37 1.74 -1.03 -4.91 116.66 107.66 3iva n ARG 1127Ca -0.02 -0.35 -0.30 0.00 -0.77 0.00 0.00 57.85 56.40 3iva n ARG 1127Cb 0.13 -1.47 0.02 0.00 -1.02 0.00 0.00 32.46 30.13 3iva n ARG 1127CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3iva n GLU 1128N -0.56 -5.39 -1.61 5.56 1.02 0.51 -4.84 120.64 115.33 3iva n GLU 1128Ca 0.21 0.59 -0.39 0.00 -0.02 0.00 0.00 57.16 57.54 3iva n GLU 1128Cb 0.19 -5.46 -0.02 0.00 -0.02 0.00 0.00 31.44 26.13 3iva n GLU 1128CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3iva n ASN 1129N -2.83 8.40 -3.67 1.62 5.15 -1.09 -4.83 115.26 118.01 3iva n ASN 1129Ca 0.04 -2.82 -0.13 0.00 -0.60 0.00 0.00 54.58 51.07 3iva n ASN 1129Cb 0.53 -1.48 -0.06 0.00 -0.53 0.00 0.00 39.78 38.24 3iva n ASN 1129CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 3iva s TYR 1130N 0.76 0.88 0.03 1.20 -0.85 -1.26 -4.97 117.35 113.15 3iva s TYR 1130Ca 0.63 -1.14 -0.22 0.00 -0.52 0.00 0.00 57.07 55.81 3iva s TYR 1130Cb 0.18 -0.11 -0.06 0.00 0.38 0.00 0.00 41.96 42.36 3iva s TYR 1130CO -0.07 -0.99 0.67 -1.14 -1.52 0.00 0.00 175.55 172.49 3iva s GLN 1131N -3.58 4.39 0.00 -3.49 0.74 -1.26 -4.94 119.66 111.52 3iva s GLN 1131Ca 0.30 0.88 0.00 0.00 0.05 0.00 0.00 55.36 56.59 3iva s GLN 1131Cb 0.01 -3.34 0.00 0.00 1.10 0.00 0.00 33.01 30.78 3iva s GLN 1131CO 0.15 0.37 0.00 0.41 -0.55 0.00 0.00 175.29 175.68 3iva n GLY 1132N 2.31 -0.33 3.29 2.59 0.00 -1.25 -4.95 105.19 106.85 3iva n GLY 1132Ca -0.05 -1.72 -0.15 0.00 0.00 0.00 0.00 46.02 44.10 3iva n GLY 1132CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3iva s ILE 1133N -2.35 0.66 -0.43 -0.61 -4.36 -1.01 -4.99 121.20 108.11 3iva s ILE 1133Ca 0.00 -2.00 0.08 0.00 -0.26 0.00 0.00 60.65 58.48 3iva s ILE 1133Cb 0.00 -2.42 0.27 0.00 1.25 0.00 0.00 42.46 41.56 3iva s ILE 1133CO 0.00 -0.20 0.61 -2.11 0.24 0.00 0.00 174.94 173.47 3iva n ARG 1134N -0.38 1.14 -1.87 0.37 1.85 -1.26 -1.61 116.66 114.90 3iva n ARG 1134Ca -0.03 -3.54 -0.40 0.00 -1.00 0.00 0.00 57.85 52.88 3iva n ARG 1134Cb 0.65 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.57 3iva n ARG 1134CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3iva s PRO 1135N -1.69 3.80 -0.14 2.89 0.04 -1.25 -4.54 135.00 134.11 3iva s PRO 1135Ca 0.37 2.37 0.01 0.00 0.04 0.00 0.00 61.00 63.79 3iva s PRO 1135Cb 0.20 -2.72 -0.00 0.00 0.04 0.00 0.00 34.50 32.02 3iva s PRO 1135CO -0.09 -0.70 -0.16 0.00 0.04 0.00 0.00 177.00 176.08 3iva s ALA 1136N -1.21 2.46 -0.12 8.56 0.00 -1.26 -0.73 121.76 129.46 3iva s ALA 1136Ca 0.59 -1.00 -0.40 0.00 0.00 0.00 0.00 51.96 51.15 3iva s ALA 1136Cb -0.42 -1.15 -0.18 0.00 0.00 0.00 0.00 23.12 21.37 3iva s ALA 1136CO 0.55 0.09 1.40 -2.30 0.00 0.00 0.00 175.76 175.50 3iva n PRO 1137N 3.84 0.63 0.00 0.00 -0.02 -1.26 -1.57 135.00 136.62 3iva n PRO 1137Ca -0.19 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3iva n PRO 1137Cb 0.52 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 3iva n PRO 1137CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iva n GLY 1138N 2.87 1.70 3.80 -1.23 0.00 0.14 -4.84 105.19 107.62 3iva n GLY 1138Ca 0.23 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.46 3iva n GLY 1138CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iva s TYR 1139N -0.71 2.84 0.35 1.61 2.02 -0.61 -4.48 117.35 118.37 3iva s TYR 1139Ca 0.00 1.26 0.16 0.00 -0.37 0.00 0.00 57.07 58.13 3iva s TYR 1139Cb 0.00 -3.05 1.19 0.00 -0.40 0.00 0.00 41.96 39.70 3iva s TYR 1139CO 0.00 -1.68 1.52 -2.30 -1.57 0.00 0.00 175.55 171.52 3iva n PRO 1140N -3.40 -0.06 0.03 -1.71 -0.02 -1.26 -1.26 135.00 127.32 3iva n PRO 1140Ca 0.07 1.36 0.13 0.00 -2.02 0.00 0.00 63.50 63.04 3iva n PRO 1140Cb 0.55 -2.38 0.49 0.00 -0.02 0.00 0.00 33.50 32.14 3iva n PRO 1140CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iva n ALA 1141N -2.47 2.52 -2.87 3.55 0.00 0.37 0.34 120.51 121.95 3iva n ALA 1141Ca 0.34 -0.13 -0.12 0.00 0.00 0.00 0.00 53.44 53.53 3iva n ALA 1141Cb 1.14 -1.40 0.03 0.00 0.00 0.00 0.00 19.45 19.22 3iva n ALA 1141CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iva h PRO 1143N 3.81 1.09 -5.28 0.00 0.13 -1.51 0.40 132.00 130.64 3iva h PRO 1143Ca -0.08 -0.07 -0.29 0.00 -0.87 0.00 0.00 66.00 64.70 3iva h PRO 1143Cb 1.00 -0.25 -0.04 0.00 0.13 0.00 0.00 31.00 31.85 3iva h PRO 1143CO 0.34 0.72 1.18 -1.91 -0.23 0.00 0.00 178.00 178.11 3iva n GLU 1144N -4.51 0.47 0.19 0.86 0.00 -1.26 -3.34 120.64 113.05 3iva n GLU 1144Ca 0.09 -0.30 0.16 0.00 0.00 0.00 0.00 57.16 57.11 3iva n GLU 1144Cb 0.03 -2.67 0.78 0.00 0.00 0.00 0.00 31.44 29.59 3iva n GLU 1144CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3iva h HIS 1145N 14.05 0.00 -0.04 4.31 3.86 -1.86 -2.69 115.15 132.78 3iva h HIS 1145Ca -0.06 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.15 3iva h HIS 1145Cb 1.15 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.62 3iva h HIS 1145CO 1.15 0.00 0.02 1.15 0.86 0.00 0.00 177.93 181.11 3iva h THR 1146N 0.00 1.02 0.00 2.45 2.02 -1.92 -2.25 112.91 114.23 3iva h THR 1146Ca 0.09 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.23 3iva h THR 1146Cb 0.42 0.96 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 3iva h THR 1146CO -0.00 0.02 0.02 -0.62 0.37 0.00 0.00 175.52 175.31 3iva n GLU 1147N -4.53 0.00 0.29 6.66 -0.58 -1.02 -0.77 120.64 120.70 3iva n GLU 1147Ca -0.02 0.43 0.17 0.00 -0.42 0.00 0.00 57.16 57.31 3iva n GLU 1147Cb 0.09 -1.52 0.86 0.00 -0.57 0.00 0.00 31.44 30.30 3iva n GLU 1147CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3iva h LYS 1148N 0.00 0.00 -0.66 3.49 1.57 -1.64 -0.93 116.57 118.40 3iva h LYS 1148Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3iva h LYS 1148Cb 0.04 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3iva h LYS 1148CO 0.00 0.05 0.10 0.00 -0.57 0.00 0.00 179.45 179.04 3iva h ALA 1149N 1.95 0.88 -0.24 3.86 0.00 -1.20 -0.72 119.26 123.79 3iva h ALA 1149Ca -0.00 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.67 3iva h ALA 1149Cb 0.29 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3iva h ALA 1149CO 0.01 0.65 0.03 1.15 0.00 0.00 0.00 179.25 181.08 3iva h THR 1150N 1.02 0.87 -0.76 0.00 2.02 -1.35 0.46 112.91 115.17 3iva h THR 1150Ca 0.20 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.31 3iva h THR 1150Cb 0.45 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 3iva h THR 1150CO 0.01 0.02 0.35 0.40 0.37 0.00 0.00 175.52 176.67 3iva h ILE 1151N 0.11 1.25 0.00 3.11 2.04 -1.39 -0.05 117.51 122.58 3iva h ILE 1151Ca 0.11 -0.71 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 3iva h ILE 1151Cb 0.12 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3iva h ILE 1151CO -0.16 0.30 -0.14 -0.50 0.00 0.00 0.00 178.15 177.65 3iva h TRP 1152N 1.07 0.00 0.00 1.37 4.06 -0.52 -0.58 115.95 121.35 3iva h TRP 1152Ca 0.26 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.17 3iva h TRP 1152Cb 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.30 3iva h TRP 1152CO 0.01 0.14 -0.24 0.93 -3.56 0.00 0.00 178.44 175.72 3iva h GLU 1153N 0.00 0.00 -0.09 0.49 5.08 -0.44 -0.63 114.58 119.00 3iva h GLU 1153Ca -0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3iva h GLU 1153Cb 0.60 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 3iva h GLU 1153CO 0.02 0.85 -0.11 -0.07 -1.00 0.00 0.00 179.01 178.70 3iva h LEU 1154N -1.00 -0.32 0.00 1.33 4.07 -0.92 -2.83 115.31 115.63 3iva h LEU 1154Ca -0.06 0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3iva h LEU 1154Cb 0.92 0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.82 3iva h LEU 1154CO -0.04 -0.14 -0.38 0.18 -1.08 0.00 0.00 178.44 176.98 3iva n LEU 1155N -5.24 0.44 -3.76 1.67 4.77 -0.24 -4.93 117.00 109.71 3iva n LEU 1155Ca -0.04 0.21 -0.24 0.00 -0.03 0.00 0.00 56.01 55.91 3iva n LEU 1155Cb 0.17 -0.30 0.03 0.00 -2.33 0.00 0.00 43.42 40.99 3iva n LEU 1155CO 0.25 0.04 0.00 1.21 -1.33 0.00 0.00 177.39 177.56 3iva n GLU 1156N -1.68 -5.27 -0.09 3.23 4.07 -0.28 -4.81 120.64 115.82 3iva n GLU 1156Ca 0.05 0.63 -0.13 0.00 -0.06 0.00 0.00 57.16 57.65 3iva n GLU 1156Cb 0.36 -5.32 -0.09 0.00 -0.06 0.00 0.00 31.44 26.34 3iva n GLU 1156CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3iva h VAL 1157N -1.97 0.00 -0.23 6.31 2.07 -1.72 -2.05 116.25 118.65 3iva h VAL 1157Ca -0.60 0.00 0.06 0.00 0.82 0.00 0.00 66.70 66.98 3iva h VAL 1157Cb 1.36 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 3iva h VAL 1157CO 0.60 0.00 -0.27 -0.08 0.02 0.00 0.00 177.57 177.84 3iva h GLU 1158N -0.41 -0.27 0.00 1.57 4.81 -1.83 0.23 114.58 118.68 3iva h GLU 1158Ca 0.05 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3iva h GLU 1158Cb 0.57 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 3iva h GLU 1158CO -0.50 -0.18 -0.04 0.87 -0.73 0.00 0.00 179.01 178.42 3iva h LYS 1159N -0.28 0.00 0.06 1.92 1.57 -1.83 -0.85 116.57 117.16 3iva h LYS 1159Ca 0.13 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.60 3iva h LYS 1159Cb 0.49 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 3iva h LYS 1159CO -0.39 0.04 -1.71 0.45 -0.57 0.00 0.00 179.45 177.27 3iva h HIS 1160N 0.00 0.24 0.00 -1.35 3.86 -0.56 -3.44 115.15 113.90 3iva h HIS 1160Ca -0.00 -0.17 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 3iva h HIS 1160Cb 0.08 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.54 3iva h HIS 1160CO 0.00 1.30 -0.95 0.25 0.86 0.00 0.00 177.93 179.39 3iva n THR 1161N -3.27 0.00 0.00 2.45 -2.24 0.71 -4.99 114.28 106.93 3iva n THR 1161Ca -0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3iva n THR 1161Cb 1.04 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 3iva n THR 1161CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iva n GLY 1162N 2.94 2.05 3.54 3.38 0.00 -0.33 -5.00 105.19 111.77 3iva n GLY 1162Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3iva n GLY 1162CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3iva n MET 1163N -0.31 0.96 -4.62 1.61 2.81 -1.26 -4.88 117.12 111.43 3iva n MET 1163Ca 0.00 0.35 -0.28 0.00 -1.81 0.00 0.00 57.70 55.96 3iva n MET 1163Cb 0.00 -1.76 -0.10 0.00 -0.71 0.00 0.00 33.22 30.65 3iva n MET 1163CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3iva s LYS 1164N -1.77 1.97 -0.01 0.03 1.02 0.42 -3.69 119.74 117.71 3iva s LYS 1164Ca 0.63 -2.16 0.04 0.00 0.02 0.00 0.00 55.97 54.50 3iva s LYS 1164Cb -0.60 -1.36 -0.01 0.00 -0.52 0.00 0.00 37.83 35.34 3iva s LYS 1164CO 0.57 -0.21 -0.13 -1.17 -0.92 0.00 0.00 175.35 173.50 3iva s LEU 1165N -3.71 2.03 0.54 3.17 2.96 -1.26 -2.13 118.68 120.29 3iva s LEU 1165Ca 0.26 -0.25 0.09 0.00 -0.22 0.00 0.00 54.13 54.01 3iva s LEU 1165Cb 0.07 -0.65 0.07 0.00 0.50 0.00 0.00 46.19 46.18 3iva s LEU 1165CO 0.13 0.15 0.72 0.42 -1.32 0.00 0.00 176.35 176.45 3iva s THR 1166N -0.34 2.31 0.41 3.68 -4.23 -0.48 -4.93 115.64 112.06 3iva s THR 1166Ca 0.05 -1.03 0.14 0.00 -1.18 0.00 0.00 61.69 59.67 3iva s THR 1166Cb -0.05 -2.33 0.14 0.00 1.34 0.00 0.00 72.50 71.59 3iva s THR 1166CO -0.00 0.00 1.91 1.05 -0.54 0.00 0.00 174.62 177.04 3iva h GLU 1167N 0.31 0.00 -0.01 3.99 9.09 -1.90 0.12 114.58 126.18 3iva h GLU 1167Ca -0.32 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.09 3iva h GLU 1167Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 3iva h GLU 1167CO 0.43 0.28 -0.02 0.45 0.05 0.00 0.00 179.01 180.19 3iva n SER 1168N -4.21 0.96 -2.48 3.06 2.88 -1.26 -4.92 113.62 107.65 3iva n SER 1168Ca -0.02 -1.25 -0.15 0.00 -1.33 0.00 0.00 58.87 56.12 3iva n SER 1168Cb 0.33 -0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.84 3iva n SER 1168CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 3iva n PHE 1169N -0.29 -1.79 -3.59 0.66 3.72 0.43 -4.84 117.46 111.76 3iva n PHE 1169Ca 0.20 0.64 -0.24 0.00 -0.05 0.00 0.00 57.45 58.00 3iva n PHE 1169Cb 0.28 -3.62 -0.02 0.00 -0.94 0.00 0.00 39.48 35.17 3iva n PHE 1169CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3iva s ALA 1170N -3.21 3.78 0.25 4.37 0.00 -1.26 -4.78 121.76 120.91 3iva s ALA 1170Ca 0.33 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 51.38 3iva s ALA 1170Cb -0.15 -2.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.95 3iva s ALA 1170CO 0.46 0.13 0.31 -1.64 0.00 0.00 0.00 175.76 175.03 3iva s MET 1171N -4.04 3.22 -0.04 0.00 1.00 -1.26 -1.38 119.30 116.79 3iva s MET 1171Ca 0.38 -0.89 -0.03 0.00 0.00 0.00 0.00 55.69 55.15 3iva s MET 1171Cb -0.10 -2.76 0.02 0.00 0.00 0.00 0.00 34.83 31.99 3iva s MET 1171CO 0.33 0.38 0.10 -0.46 0.00 0.00 0.00 175.02 175.37 3iva s TRP 1172N -2.06 -0.10 1.16 -0.03 -0.00 -0.90 -4.26 118.94 112.75 3iva s TRP 1172Ca 0.35 0.30 -0.13 0.00 -0.00 0.00 0.00 56.10 56.61 3iva s TRP 1172Cb -0.09 -0.03 0.26 0.00 -0.00 0.00 0.00 33.47 33.61 3iva s TRP 1172CO 0.28 -0.09 0.87 -2.30 -0.00 0.00 0.00 176.95 175.71 3iva n PRO 1173N 3.51 -2.27 -0.29 5.86 -0.02 -1.26 -0.44 135.00 140.10 3iva n PRO 1173Ca -0.18 -0.63 -0.05 0.00 -2.02 0.00 0.00 63.50 60.61 3iva n PRO 1173Cb 0.56 -2.10 0.07 0.00 -0.02 0.00 0.00 33.50 32.00 3iva n PRO 1173CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3iva h GLY 1174N -2.57 1.17 -6.93 -1.23 0.00 -1.88 -3.28 103.07 88.35 3iva h GLY 1174Ca -0.60 -0.54 -0.63 0.00 0.00 0.00 0.00 47.33 45.57 3iva h GLY 1174CO 0.47 0.52 2.33 0.00 0.00 0.00 0.00 176.54 179.86 3iva n ALA 1175N -2.37 3.85 -3.28 3.60 0.00 -1.26 -4.85 120.51 116.19 3iva n ALA 1175Ca 0.07 -3.61 -0.14 0.00 0.00 0.00 0.00 53.44 49.76 3iva n ALA 1175Cb 0.10 -3.57 -0.07 0.00 0.00 0.00 0.00 19.45 15.90 3iva n ALA 1175CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3iva s SER 1176N 4.43 -0.32 0.07 0.00 1.04 -1.24 -0.30 113.70 117.37 3iva s SER 1176Ca 0.55 0.21 0.02 0.00 0.48 0.00 0.00 55.95 57.20 3iva s SER 1176Cb 0.08 0.39 -0.03 0.00 0.10 0.00 0.00 66.02 66.56 3iva s SER 1176CO 0.04 -0.54 -0.06 -0.69 0.98 0.00 0.00 173.24 172.97 3iva s VAL 1177N -1.60 0.56 -0.02 5.02 1.01 0.11 -4.98 120.40 120.50 3iva s VAL 1177Ca -0.11 -1.56 -0.27 0.00 0.00 0.00 0.00 61.98 60.04 3iva s VAL 1177Cb -0.03 -1.21 0.06 0.00 0.00 0.00 0.00 36.38 35.21 3iva s VAL 1177CO 0.04 -0.69 0.61 -0.94 0.00 0.00 0.00 175.10 174.12 3iva s SER 1178N -2.42 -0.57 0.00 3.32 1.04 -1.26 -0.24 113.70 113.57 3iva s SER 1178Ca 0.02 0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.98 3iva s SER 1178Cb -0.01 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 3iva s SER 1178CO -0.03 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.16 3iva n GLY 1179N 0.79 0.57 3.94 7.32 0.00 -0.51 -4.34 105.19 112.97 3iva n GLY 1179Ca -0.19 -0.78 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 3iva n GLY 1179CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3iva s TRP 1180N -2.46 1.71 -0.05 1.61 0.52 0.09 -1.79 118.94 118.57 3iva s TRP 1180Ca 0.00 -0.75 -0.00 0.00 0.02 0.00 0.00 56.10 55.37 3iva s TRP 1180Cb 0.00 -2.05 0.03 0.00 -1.15 0.00 0.00 33.47 30.30 3iva s TRP 1180CO 0.00 -0.65 -0.01 0.71 0.02 0.00 0.00 176.95 177.02 3iva s TYR 1181N -2.69 0.54 -0.02 -1.98 2.02 -0.37 -3.79 117.35 111.05 3iva s TYR 1181Ca 0.45 -0.10 0.07 0.00 -0.37 0.00 0.00 57.07 57.12 3iva s TYR 1181Cb -0.04 -0.60 -0.02 0.00 -0.40 0.00 0.00 41.96 40.90 3iva s TYR 1181CO 0.28 -0.21 -0.22 -0.06 -1.57 0.00 0.00 175.55 173.77 3iva s PHE 1182N 1.32 1.99 -0.12 2.71 0.08 -0.63 -2.24 117.98 121.09 3iva s PHE 1182Ca -0.05 -0.40 0.16 0.00 0.12 0.00 0.00 56.93 56.75 3iva s PHE 1182Cb -0.13 -1.29 -0.24 0.00 -0.57 0.00 0.00 43.02 40.79 3iva s PHE 1182CO -0.02 -0.05 0.37 -1.13 -0.10 0.00 0.00 175.22 174.29 3iva n SER 1183N 2.60 0.43 -4.49 1.36 3.41 -1.26 -2.40 113.62 113.25 3iva n SER 1183Ca -0.16 0.20 -0.57 0.00 -0.26 0.00 0.00 58.87 58.09 3iva n SER 1183Cb 0.52 0.50 -0.07 0.00 -0.26 0.00 0.00 64.21 64.90 3iva n SER 1183CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3iva n HIS 1184N -2.88 0.56 0.33 7.33 -0.00 -1.26 -3.89 115.22 115.41 3iva n HIS 1184Ca -0.24 1.01 0.15 0.00 -0.00 0.00 0.00 57.72 58.64 3iva n HIS 1184Cb 1.09 -2.09 0.61 0.00 -0.00 0.00 0.00 29.99 29.60 3iva n HIS 1184CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3iva h PRO 1185N 2.84 0.00 -0.02 1.57 0.13 -1.96 -2.77 132.00 131.79 3iva h PRO 1185Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3iva h PRO 1185Cb 1.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.55 3iva h PRO 1185CO 0.65 0.00 -0.11 -0.25 -0.23 0.00 0.00 178.00 178.05 3iva n ASP 1186N -2.77 1.96 -4.72 1.44 8.00 -1.26 -4.77 116.55 114.43 3iva n ASP 1186Ca 0.01 -1.55 -0.42 0.00 0.71 0.00 0.00 54.79 53.54 3iva n ASP 1186Cb 0.28 0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.44 3iva n ASP 1186CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3iva s SER 1187N -2.16 7.11 0.20 -2.24 1.04 -1.05 -5.03 113.70 111.58 3iva s SER 1187Ca 0.30 2.03 -0.05 0.00 0.48 0.00 0.00 55.95 58.70 3iva s SER 1187Cb 0.20 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.71 3iva s SER 1187CO 0.39 -0.43 0.23 -1.59 0.98 0.00 0.00 173.24 172.82 3iva s LYS 1188N 0.84 1.25 0.41 4.02 0.00 -1.26 -4.63 119.74 120.37 3iva s LYS 1188Ca 0.57 -1.46 -0.17 0.00 0.00 0.00 0.00 55.97 54.91 3iva s LYS 1188Cb -0.29 0.33 -0.09 0.00 0.00 0.00 0.00 37.83 37.77 3iva s LYS 1188CO 0.30 -0.44 0.87 0.71 0.00 0.00 0.00 175.35 176.78 3iva s TYR 1189N -4.09 3.38 0.19 1.78 2.02 -1.26 -5.06 117.35 114.31 3iva s TYR 1189Ca 0.31 1.39 -0.23 0.00 -0.37 0.00 0.00 57.07 58.17 3iva s TYR 1189Cb 0.05 -2.69 0.07 0.00 -0.40 0.00 0.00 41.96 38.99 3iva s TYR 1189CO 0.09 -0.09 0.99 1.52 -1.57 0.00 0.00 175.55 176.49 3iva s TYR 1190N -2.23 0.00 -0.05 2.71 -0.85 -1.26 -5.06 117.35 110.62 3iva s TYR 1190Ca 0.58 -0.39 0.03 0.00 -0.52 0.00 0.00 57.07 56.77 3iva s TYR 1190Cb -0.10 0.69 -0.03 0.00 0.38 0.00 0.00 41.96 42.91 3iva s TYR 1190CO 0.20 -0.94 -0.14 0.00 -1.52 0.00 0.00 175.55 173.15 3iva s ALA 1191N -2.57 2.66 0.15 9.51 0.00 -1.26 -0.48 121.76 129.77 3iva s ALA 1191Ca 0.18 -0.98 0.15 0.00 0.00 0.00 0.00 51.96 51.31 3iva s ALA 1191Cb -0.02 -0.97 0.41 0.00 0.00 0.00 0.00 23.12 22.53 3iva s ALA 1191CO 0.05 0.54 1.61 0.28 0.00 0.00 0.00 175.76 178.24 3iva h VAL 1192N 4.39 1.13 0.00 0.00 2.07 -0.41 -3.45 116.25 119.98 3iva h VAL 1192Ca -0.46 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.07 3iva h VAL 1192Cb 1.15 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 3iva h VAL 1192CO 0.50 0.52 0.00 0.00 0.02 0.00 0.00 177.57 178.61 3iva n ALA 1193N -2.33 0.00 -2.62 1.67 0.00 -1.26 -4.08 120.51 111.89 3iva n ALA 1193Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3iva n ALA 1193Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 3iva n ALA 1193CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3iva s GLN 1194N 0.00 4.50 0.35 0.00 1.11 -1.22 -4.58 119.66 119.81 3iva s GLN 1194Ca 0.00 1.52 0.09 0.00 0.01 0.00 0.00 55.36 56.97 3iva s GLN 1194Cb 0.00 -3.45 -0.06 0.00 -1.01 0.00 0.00 33.01 28.49 3iva s GLN 1194CO 0.00 -0.16 -0.00 0.96 0.01 0.00 0.00 175.29 176.10 3iva s ILE 1195N 1.23 2.52 0.38 1.08 -4.36 0.16 -4.01 121.20 118.20 3iva s ILE 1195Ca 0.53 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.98 3iva s ILE 1195Cb -0.23 -2.79 0.06 0.00 1.25 0.00 0.00 42.46 40.76 3iva s ILE 1195CO 0.27 -0.18 0.50 0.00 0.24 0.00 0.00 174.94 175.76 3iva n GLN 1196N -0.94 0.77 -0.32 0.37 1.13 -1.26 0.19 117.38 117.31 3iva n GLN 1196Ca -0.04 -2.12 -0.04 0.00 -1.94 0.00 0.00 57.00 52.87 3iva n GLN 1196Cb 0.63 -0.10 0.08 0.00 0.11 0.00 0.00 30.24 30.96 3iva n GLN 1196CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 3iva h ARG 1197N 0.00 1.18 -0.51 -1.09 9.65 -1.99 -2.51 114.38 119.11 3iva h ARG 1197Ca -0.19 -0.10 0.05 0.00 -1.10 0.00 0.00 59.98 58.64 3iva h ARG 1197Cb 0.84 -0.25 -0.05 0.00 -1.39 0.00 0.00 29.97 29.12 3iva h ARG 1197CO 0.27 0.82 0.25 0.38 2.80 0.00 0.00 179.97 184.49 3iva h ASP 1198N 1.20 0.35 0.46 -3.80 3.04 -1.99 -0.85 116.42 114.83 3iva h ASP 1198Ca 0.31 0.03 -0.15 0.00 -3.24 0.00 0.00 57.03 53.99 3iva h ASP 1198Cb -0.07 -0.03 -0.01 0.00 -1.04 0.00 0.00 39.33 38.17 3iva h ASP 1198CO -0.06 0.24 -0.65 -0.61 -2.04 0.00 0.00 179.24 176.13 3iva h GLN 1199N 0.49 0.17 -0.79 4.15 4.15 -1.94 -1.05 115.11 120.29 3iva h GLN 1199Ca 0.23 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 3iva h GLN 1199Cb 0.15 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.82 3iva h GLN 1199CO -0.17 0.76 0.40 0.28 -1.93 0.00 0.00 178.83 178.17 3iva h VAL 1200N 0.12 1.24 -0.01 2.39 2.07 -0.96 0.13 116.25 121.24 3iva h VAL 1200Ca -0.01 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 3iva h VAL 1200Cb 1.16 0.21 0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3iva h VAL 1200CO 0.10 0.28 -0.26 -0.33 0.02 0.00 0.00 177.57 177.38 3iva h GLU 1201N 1.11 0.19 -0.49 1.57 5.08 -0.99 -1.17 114.58 119.88 3iva h GLU 1201Ca 0.27 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3iva h GLU 1201Cb 0.08 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 3iva h GLU 1201CO -0.04 0.91 0.31 0.22 -1.00 0.00 0.00 179.01 179.42 3iva h ASP 1202N -0.45 0.53 -0.73 1.42 3.58 -1.10 -1.25 116.42 118.42 3iva h ASP 1202Ca -0.03 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 3iva h ASP 1202Cb 1.00 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.89 3iva h ASP 1202CO 0.05 0.38 0.44 0.22 -2.88 0.00 0.00 179.24 177.45 3iva h TYR 1203N 0.63 0.97 -0.35 0.28 3.20 -0.79 -1.92 116.97 118.99 3iva h TYR 1203Ca 0.19 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.10 3iva h TYR 1203Cb -0.04 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 37.88 3iva h TYR 1203CO -0.05 0.66 0.11 0.00 -1.64 0.00 0.00 178.16 177.24 3iva h ALA 1204N 1.23 0.39 0.06 1.82 0.00 -0.50 0.22 119.26 122.49 3iva h ALA 1204Ca 0.26 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.23 3iva h ALA 1204Cb -0.02 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3iva h ALA 1204CO -0.05 -0.29 -0.15 0.00 0.00 0.00 0.00 179.25 178.76 3iva h ARG 1205N 0.25 -0.28 -0.86 0.00 3.08 -0.87 0.36 114.38 116.07 3iva h ARG 1205Ca 0.16 0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.24 3iva h ARG 1205Cb 0.14 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 3iva h ARG 1205CO -0.17 -0.19 0.57 0.00 -1.07 0.00 0.00 179.97 179.11 3iva h ARG 1206N -0.29 1.11 0.00 0.04 3.08 -0.87 -2.39 114.38 115.06 3iva h ARG 1206Ca 0.03 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3iva h ARG 1206Cb 0.32 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3iva h ARG 1206CO -0.10 0.73 -0.45 0.87 -1.07 0.00 0.00 179.97 179.95 3iva h LYS 1207N 1.14 0.00 -2.98 0.04 1.79 -0.31 -3.48 116.57 112.77 3iva h LYS 1207Ca 0.32 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.64 3iva h LYS 1207Cb -0.09 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 30.62 3iva h LYS 1207CO -0.08 0.00 -0.27 0.41 -1.08 0.00 0.00 179.45 178.43 3iva n GLY 1208N 1.27 0.33 3.36 3.86 0.00 0.12 -5.05 105.19 109.09 3iva n GLY 1208Ca 0.03 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 3iva n GLY 1208CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3iva s MET 1209N -5.42 1.38 0.60 1.61 -1.94 -0.58 -5.04 119.30 109.91 3iva s MET 1209Ca 0.21 -1.63 -0.16 0.00 -1.71 0.00 0.00 55.69 52.39 3iva s MET 1209Cb -0.09 -1.12 -0.03 0.00 2.01 0.00 0.00 34.83 35.60 3iva s MET 1209CO 0.29 0.15 1.09 -1.54 -0.01 0.00 0.00 175.02 175.00 3iva s SER 1210N -3.34 5.57 0.57 3.03 1.04 -1.26 -4.48 113.70 114.83 3iva s SER 1210Ca 0.24 1.95 0.29 0.00 0.48 0.00 0.00 55.95 58.91 3iva s SER 1210Cb 0.00 -2.55 1.72 0.00 0.10 0.00 0.00 66.02 65.30 3iva s SER 1210CO 0.08 -1.32 2.21 1.62 0.98 0.00 0.00 173.24 176.81 3iva h VAL 1211N 0.50 0.54 -0.17 5.02 3.04 -1.94 -1.95 116.25 121.29 3iva h VAL 1211Ca -0.48 -0.15 -0.08 0.00 -1.01 0.00 0.00 66.70 64.99 3iva h VAL 1211Cb 1.24 1.10 -0.00 0.00 -2.01 0.00 0.00 31.29 31.61 3iva h VAL 1211CO 0.56 0.03 -0.20 0.74 -1.01 0.00 0.00 177.57 177.70 3iva h THR 1212N 0.00 1.34 -0.49 3.17 2.02 -1.96 -2.78 112.91 114.21 3iva h THR 1212Ca -0.00 -1.38 -0.07 0.00 0.77 0.00 0.00 66.41 65.73 3iva h THR 1212Cb 0.09 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.33 3iva h THR 1212CO 0.00 0.41 0.03 -0.08 0.37 0.00 0.00 175.52 176.26 3iva h GLU 1213N 0.08 0.84 0.00 6.66 4.81 -1.73 -2.89 114.58 122.35 3iva h GLU 1213Ca 0.02 -0.25 -0.04 0.00 -0.13 0.00 0.00 59.36 58.96 3iva h GLU 1213Cb 0.75 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 3iva h GLU 1213CO 0.05 0.87 -0.20 -0.39 -0.73 0.00 0.00 179.01 178.60 3iva h VAL 1214N 0.71 0.59 0.00 0.32 -1.51 -1.50 -2.59 116.25 112.26 3iva h VAL 1214Ca 0.14 -0.96 -0.13 0.00 -1.23 0.00 0.00 66.70 64.52 3iva h VAL 1214Cb 0.47 1.63 -0.02 0.00 -2.13 0.00 0.00 31.29 31.24 3iva h VAL 1214CO 0.02 0.20 -0.64 -0.33 -1.23 0.00 0.00 177.57 175.59 3iva h GLU 1215N 0.00 0.00 -0.10 5.19 5.08 -1.29 -1.69 114.58 121.77 3iva h GLU 1215Ca -0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 3iva h GLU 1215Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3iva h GLU 1215CO 0.03 0.64 -0.34 0.00 -1.00 0.00 0.00 179.01 178.33 3iva h ARG 1216N 0.00 0.41 -0.04 2.33 3.08 -1.30 -1.47 114.38 117.41 3iva h ARG 1216Ca -0.01 -0.31 -0.08 0.00 0.07 0.00 0.00 59.98 59.66 3iva h ARG 1216Cb 1.28 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.37 3iva h ARG 1216CO 0.08 0.93 -0.35 -1.49 -1.07 0.00 0.00 179.97 178.07 3iva h TRP 1217N -0.02 0.08 -0.44 3.04 4.06 -1.46 -2.83 115.95 118.38 3iva h TRP 1217Ca -0.01 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.92 3iva h TRP 1217Cb 0.97 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 29.11 3iva h TRP 1217CO 0.11 0.41 0.00 1.28 -3.56 0.00 0.00 178.44 176.69 3iva n LEU 1218N -4.11 4.15 -0.37 -4.49 4.77 -0.64 -4.76 117.00 111.55 3iva n LEU 1218Ca -0.02 -2.59 -0.05 0.00 -0.03 0.00 0.00 56.01 53.32 3iva n LEU 1218Cb 0.40 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 3iva n LEU 1218CO 0.39 0.73 0.50 0.00 -1.33 0.00 0.00 177.39 177.68 3iva n ALA 1219N 0.37 -0.33 0.30 -1.18 0.00 -0.55 0.60 120.51 119.71 3iva n ALA 1219Ca 0.21 0.87 0.20 0.00 0.00 0.00 0.00 53.44 54.71 3iva n ALA 1219Cb 0.82 -0.29 1.02 0.00 0.00 0.00 0.00 19.45 21.00 3iva n ALA 1219CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3iva h PRO 1220N 0.00 0.00 -0.20 0.00 0.11 -1.86 -2.30 132.00 127.76 3iva h PRO 1220Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3iva h PRO 1220Cb 0.48 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 3iva h PRO 1220CO -0.90 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 176.98 3iva n ASN 1221N -2.88 2.76 -4.72 -2.05 3.02 0.20 -4.83 115.26 106.76 3iva n ASN 1221Ca -0.02 -1.81 -0.42 0.00 -0.03 0.00 0.00 54.58 52.30 3iva n ASN 1221Cb 0.09 -0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 3iva n ASN 1221CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3iva s LEU 1222N -1.26 4.40 0.00 3.41 1.02 -0.64 0.41 118.68 126.01 3iva s LEU 1222Ca 0.25 2.17 0.25 0.00 0.02 0.00 0.00 54.13 56.82 3iva s LEU 1222Cb 0.16 -3.59 1.21 0.00 0.02 0.00 0.00 46.19 43.99 3iva s LEU 1222CO 0.22 -0.48 1.81 0.61 0.02 0.00 0.00 176.35 178.53 3iva n GLY 1223N 2.94 -0.41 3.40 -3.19 0.00 0.13 -4.68 105.19 103.38 3iva n GLY 1223Ca 0.08 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 3iva n GLY 1223CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3iva s TYR 1224N -1.95 1.76 0.67 1.61 -0.85 -1.26 -4.98 117.35 112.35 3iva s TYR 1224Ca 0.37 -1.49 -0.11 0.00 -0.52 0.00 0.00 57.07 55.31 3iva s TYR 1224Cb 0.19 -0.93 -0.01 0.00 0.38 0.00 0.00 41.96 41.59 3iva s TYR 1224CO 0.30 -0.60 1.06 -0.51 -1.52 0.00 0.00 175.55 174.28 3iva s ASP 1225N -3.50 5.76 0.00 -0.18 1.01 -1.26 -5.11 116.67 113.39 3iva s ASP 1225Ca 0.32 1.33 0.32 0.00 0.71 0.00 0.00 52.55 55.22 3iva s ASP 1225Cb 0.02 -2.25 1.85 0.00 1.01 0.00 0.00 42.92 43.55 3iva s ASP 1225CO 0.21 -1.16 2.20 0.00 0.21 0.00 0.00 175.17 176.62